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# -*- coding: utf-8 -*- # Copyright (c) 2016-2021 Wintermute0110 <wintermute0110@gmail.com> # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; version 2 of the License. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. # See the GNU General Public License for more details. # Advanced Emulator Launcher platform and emulator information. # # This module has basic platform, DAT file information, etc. # It has not external dependencies at all and can be used from anywhere. # External tools are used to test the validity of the information in this file. # ------------------------------------------------------------------------------------------------- # New platform engine # ------------------------------------------------------------------------------------------------- DAT_MAME = 'MAME' DAT_NOINTRO = 'No-Intro' DAT_REDUMP = 'Redump' DAT_LIBRETRO = 'Libretro' DAT_NONE = None DEFAULT_PLAT_TGDB = '0' DEFAULT_PLAT_MOBYGAMES = '0' DEFAULT_PLAT_SCREENSCRAPER = '0' DEFAULT_PLAT_GAMEFAQS = '0' PLATFORM_MAME_LONG = 'MAME' PLATFORM_MAME_SHORT = 'arcade-mame' PLATFORM_MAME_COMPACT = 'mame' PLATFORM_UNKNOWN_LONG = 'Unknown' PLATFORM_UNKNOWN_SHORT = 'unknown' PLATFORM_UNKNOWN_COMPACT = 'unknown' class Platform: def __init__(self, name, shortname, compactname, aliasof = None, TGDB_plat = None, MG_plat = None, SS_plat = None, GF_plat = None, DAT = DAT_NONE, DAT_prefix = ''): # Autocompleted later with data from the short name. # Short names are "category-compact_name" self.category = '' self.long_name = name self.short_name = shortname self.compact_name = compactname # Always use the compact name when definid aliases. Otherwise bad things will happen. self.aliasof = aliasof self.TGDB_plat = TGDB_plat self.MG_plat = MG_plat self.SS_plat = SS_plat self.GF_plat = GF_plat self.DAT = DAT self.DAT_prefix = DAT_prefix # * From this list create dictionaries with indices to access platform information. # # * Shorted alphabetically by long name. Alphabetical order is veryfied with the script # ./dev-core/list_AEL_platforms.py # # * To be compatible with Retroplayer and Kodi artwork database, anything that can be launched # by Retroarch must be a platform, including Doom, CaveStory, etc. # # * Platform is something that has ROMs to launch. Standalone cores do not need a platform, # they are Kodi addons with its own artwork. CHECK THIS! # # * Platform names must have filesystem-safe characters. # # * When possible user No-Intro DAT-o-MATIC names. Fallback to Wikipedia names. # # * Unsuported scraper platforms must be set to None. The conversion function will then # translate None to the appropiate value for the scraper. # # * The Offline Scraper database filenames use the long_name. The platform icons # PNG/JPG files also use the platform long_name. # # Get TGDB platform list from script ./dev-scrapers/scrap_TGDB_list_platforms.py # Get MobyGames platform list from script ./dev-scrapers/scrap_MobyGames_list_platforms.py # Get ScreenScraper platform list from script ./dev-scrapers/scrap_ScreenScraper_list_platforms.py # Get GameFAQs platform list from https://www.gamefaqs.com/search_advanced?game=ar # # Default values: Platform('', '', '', None, None, None, None, None, DAT_NONE, ''), # AEL_platforms = [ # --- 3DO Interactive Multiplayer --- Platform('3DO Interactive Multiplayer', 'console-3do', '3do', None, '25', '35', '29', '61', DAT_REDUMP, 'Panasonic - 3DO Interactive Multiplayer - Datfile'), # --- Amstrad --- Platform('Amstrad CPC', 'computer-cpc', 'cpc', None, '4914', '60', '65', '46', DAT_NONE), # --- Atari --- Platform('Atari 2600', 'atari-a2600', 'a2600', None, '22', '28', '26', '6', DAT_NOINTRO, 'Atari - 2600'), Platform('Atari 5200', 'atari-a5200', 'a5200', None, '26', '33', '40', '20', DAT_NOINTRO, 'Atari - 5200'), Platform('Atari 7800', 'atari-a7800', 'a7800', None, '27', '34', '41', '51', DAT_NOINTRO, 'Atari - 7800'), # Atari 8-bit includes: Atari 400, Atari 800, Atari 1200XL, Atari 65XE, Atari 130XE, Atari XEGS Platform('Atari 8-bit', 'computer-atari-8bit', 'atari-8bit', None, '30', '39', '43', None, DAT_NONE), # Atari Jaguar No-Intro DATs: # *) Atari - Jaguar (J64) (20190518-213240).dat # *) Atari - Jaguar (J64) (Parent-Clone) (Parent-Clone) (20190518-213240).dat # *) Atari - Jaguar (ROM) (20190518-213240).dat Platform('Atari Jaguar', 'atari-jaguar', 'jaguar', None, '28', '17', '27', '72', DAT_NOINTRO, 'Atari - Jaguar (J64) (Parent-Clone)'), Platform('Atari Jaguar CD', 'atari-jaguarcd', 'jaguarcd', None, '29', '17', '171', '82', DAT_REDUMP, 'Atari - Jaguar CD Interactive Multimedia System - Datfile'), Platform('Atari Lynx', 'atari-lynx', 'lynx', None, '4924', '18', '28', '58', DAT_NOINTRO, 'Atari - Lynx'), Platform('Atari ST', 'computer-atari-st', 'atari-st', None, '4937', '24', '42', '38', DAT_NOINTRO, 'Atari - ST'), # --- Bandai --- Platform('Bandai WonderSwan', 'bandai-wswan', 'wswan', None, '4925', '48', '45', '90', DAT_NOINTRO, 'Bandai - WonderSwan'), Platform('Bandai WonderSwan Color', 'bandai-wswancolor', 'wswancolor', None, '4926', '49', '46', '95', DAT_NOINTRO, 'Bandai - WonderSwan Color'), Platform('Benesse Pocket Challenge V2', 'console-bpc', 'bpc', None, None, None, None, None, DAT_NOINTRO, 'Benesse - Pocket Challenge V2'), # --- Casio --- Platform('Casio Loopy', 'console-loopy', 'loopy', None, None, '124', '98', None, DAT_NOINTRO, 'Casio - Loopy'), Platform('Casio PV-1000', 'console-pv1000', 'pv1000', None, '4964', '125', '74', None, DAT_NOINTRO, 'Casio - PV-1000'), # --- Coleco --- Platform('Coleco Colecovision', 'console-cvision', 'cvision', None, '31', '29', '48', '29', DAT_NOINTRO, 'Coleco - ColecoVision'), # --- Commodore --- # The Commodore 16 and the Plus/4 are the same computer, the Plus/4 having more memory # and better ROM software. Make the Plus/4 an alias of the Commodore 16. # No-Intro has a DAT for the Plus/4 and not for the C16. # MobyGames "Commodore 16, Plus/4". Not found in GameFAQs. Platform('Commodore 16', 'computer-16', 'c16', None, None, '115', '99', None, DAT_NOINTRO, 'Commodore - Plus-4'), # Commodore 64 No-Intro DATs: # * Commodore - 64 (Parent-Clone) (20151122-035618).dat # * Commodore - 64 (PP) (Parent-Clone) (20131204-081826).dat # * Commodore - 64 (Tapes) (Parent-Clone) (20180307-232531).dat Platform('Commodore 64', 'computer-c64', 'c64', None, '40', '27', '66', '24', DAT_NOINTRO, 'Commodore - 64'), Platform('Commodore Amiga', 'computer-amiga', 'amiga', None, '4911', '19', '64', '39', DAT_NOINTRO, 'Commodore - Amiga'), # The CD32 is part of a family of Amiga computers and is of similar specification to the # Amiga 1200 computer. Platform('Commodore Amiga CD32', 'console-cd32', 'cd32', None, '4947', '56', '130', '70', DAT_REDUMP, 'Commodore - Amiga CD32 - Datfile'), # The CDTV is essentially a Commodore Amiga 500 home computer with a CD-ROM drive and # remote control. Platform('Commodore Amiga CDTV', 'console-cdtv', 'cdtv', None, None, '83', '129', None, DAT_REDUMP, 'Commodore - Amiga CDTV - Datfile'), # The PET is the first computer sold by Commodore. Platform('Commodore PET', 'computer-pet', 'pet', None, None, None, None, None), # MobyGames "Commodore 16, Plus/4". Not found in GameFAQs. Platform('Commodore Plus-4', 'computer-plus4', 'plus4', 'c16'), Platform('Commodore VIC-20', 'computer-vic20', 'vic20', None, '4945', '43', '73', '11', DAT_NOINTRO, 'Commodore - VIC-20'), # --- Emerson --- Platform('Emerson Arcadia 2001', 'console-arcadia2001', 'arcadia2001', None, '4963', '162', '94', None, DAT_NOINTRO, 'Emerson - Arcadia 2001'), Platform('Entex Adventure Vision', 'console-avision', 'avision', None, '4974', '210', '78', None, DAT_NOINTRO, 'Entex - Adventure Vision'), Platform('Epoch Super Cassette Vision', 'console-scvision', 'scvision', None, '4966', None, '67', None, DAT_NOINTRO, 'Epoch - Super Cassette Vision'), # --- Fairchild --- Platform('Fairchild Channel F', 'console-channelf', 'channelf', None, '4928', '76', '80', None, DAT_NOINTRO, 'Fairchild - Channel F'), # --- Fujitsu --- Platform('Fujitsu FM Towns Marty', 'console-fmtmarty', 'fmtmarty', None, '4932', '102', '97', '55', DAT_NONE), Platform('Funtech Super Acan', 'console-superacan', 'superacan', None, None, '110', '100', None, DAT_NOINTRO, 'Funtech - Super Acan'), Platform('GamePark GP32', 'console-gp32', 'gp32', None, None, '108', '101', None, DAT_NOINTRO, 'GamePark - GP32'), # --- GCE --- Platform('GCE Vectrex', 'console-vectrex', 'vectrex', None, '4939', '37', '102', '34', DAT_NOINTRO, 'GCE - Vectrex'), Platform('Hartung Game Master', 'console-gamemaster', 'gamemaster', None, None, None, '103', None, DAT_NOINTRO, 'Hartung - Game Master'), # The iQue Player is based on the Nintendo 64, but uses system-on-a-chip technology to reduce size. # It plays Nintendo 64 games specifically ported to the system. # iQue No-Intro DATs: # *) iQue - iQue (CDN) (20190927-125114).dat # *) iQue - iQue (Decrypted) (20190927-125114) # *) iQue - iQue (Decrypted) (Parent-Clone) (Parent-Clone) (20190927-125114) Platform('iQue iQue Player', 'console-ique', 'ique', 'n64', None, None, None, None, DAT_NOINTRO, 'iQue - iQue (CDN) (Parent-Clone)'), Platform('Konami Picno', 'console-picno', 'picno', None, None, None, None, None, DAT_NOINTRO, 'Konami - Picno'), Platform('LeapFrog LeapPad', 'console-leappad', 'leappad', None, None, None, None, None, DAT_NOINTRO, 'LeapFrog - LeapPad'), Platform('LeapFrog Leapster Learning Game System', 'console-llgs', 'llgs', None, None, None, None, None, DAT_NOINTRO, 'LeapFrog - Leapster Learning Game System'), # Platform('LeapFrog My First LeapPad', 'console-mfleappad', 'mfleappad', None, None, None, None, None, # DAT_NOINTRO, 'LeapFrog - My First LeapPad'), # --- Libretro --- # Use nxengine and not cavestory because in the future there could be nxengine-evo. # nxengine is able to launch several versions of the game so it's a ROM launcher. Platform('Libretro Cave Story (NX Engine)', 'games-nxengine', 'nxengine', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro ChaiLove', 'games-chailove', 'chailove', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro Doom', 'games-doom', 'doom', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro Doom 3', 'games-doom3', 'doom3', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro EasyRPG', 'games-easyrpg', 'easyrpg', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro Game and Watch', 'games-gw', 'gw', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro Lutro', 'games-lutro', 'lutro', None, None, None, '206', None, DAT_LIBRETRO), Platform('Libretro OpenLara', 'games-openlara', 'openlara', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro Quake', 'games-quake', 'quake', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro Quake 2', 'games-quake2', 'quake2', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro Quake 3', 'games-quake3', 'quake3', None, None, None, None, None, DAT_LIBRETRO), Platform('Libretro TIC-80', 'games-tic80', 'tic80', None, None, None, '222', None, DAT_LIBRETRO), # --- Magnavox --- Platform('Magnavox Odyssey2', 'console-odyssey2', 'odyssey2', None, '4927', '78', '104', '9', DAT_NOINTRO, 'Magnavox - Odyssey2'), # --- MAME/Arcade --- Platform(PLATFORM_MAME_LONG, PLATFORM_MAME_SHORT, PLATFORM_MAME_COMPACT, None, '23', '143', '75', '2', DAT_MAME), # --- Mattel --- Platform('Mattel Intellivision', 'console-ivision', 'ivision', None, '32', '30', '115', '16', DAT_NOINTRO, 'Mattel - Intellivision'), # --- Microsoft --- Platform('Microsoft MS-DOS', 'microsoft-msdos', 'msdos', None, '1', '2', '135', '19', DAT_NONE), Platform('Microsoft MSX', 'microsoft-msx', 'msx', None, '4929', '57', '113', '40', DAT_NOINTRO, 'Microsoft - MSX'), Platform('Microsoft MSX2', 'microsoft-msx2', 'msx2', None, '4929', '57', '116', '40', DAT_NOINTRO, 'Microsoft - MSX2'), # Modern versions of Windows. Platform('Microsoft Windows', 'microsoft-windows', 'windows', None, None, None, None, None, DAT_NONE), # MobyGames differentiates Windows = '3' and Windows 3.x = '5' Platform('Microsoft Windows 3.x', 'microsoft-windows3x', 'windows3x', None, '1', '3', '136', '19', DAT_NONE), Platform('Microsoft Xbox', 'microsoft-xbox', 'xbox', None, '14', '13', '32', '98', DAT_NONE), Platform('Microsoft Xbox 360', 'microsoft-xbox360', 'xbox360', None, '15', '69', '33', '111', DAT_NONE), Platform('Microsoft Xbox One', 'microsoft-xboxone', 'xboxone', None, '4920', '142', None, '121', DAT_NONE), # --- NEC --- Platform('NEC PC Engine', 'nec-pce', 'pce', None, '34', '40', '31', '53', DAT_NOINTRO, 'NEC - PC Engine - TurboGrafx 16'), Platform('NEC PC Engine CDROM2', 'nec-pcecd', 'pcecd', None, '4955', '45', '114', '56', DAT_REDUMP, 'NEC - PC Engine CD & TurboGrafx CD - Datfile'), Platform('NEC PC-FX', 'nec-pcfx', 'pcfx', None, '4930', '59', '72', '79', DAT_REDUMP, 'NEC - PC-FX & PC-FXGA - Datfile'), Platform('NEC PC-FXGA', 'nec-pcfxga', 'pcfxga', 'pcfx'), Platform('NEC SuperGrafx', 'nec-sgx', 'sgx', None, '34', '127', '105', '53', DAT_NOINTRO, 'NEC - PC Engine SuperGrafx'), Platform('NEC TurboGrafx 16', 'nec-tg16', 'tg16', 'pce'), Platform('NEC TurboGrafx CD', 'nec-tg16cd', 'tg16cd', 'pcecd'), # --- Nintendo --- # No-Intro Nintendo 3DS DAT files: # *) Nintendo - Nintendo 3DS (Decrypted) (20191109-080816) # *) Nintendo - Nintendo 3DS (Digital) (20190801-212709) # *) Nintendo - Nintendo 3DS (Digital) (CDN) (CDN) (20191110-064909) # *) Nintendo - Nintendo 3DS (Digital) (CDN) (CDN) (Parent-Clone) (Parent-Clone) (20191110-064909) # *) Nintendo - Nintendo 3DS (Digital) (CDN) (CIA) (20191110-064909) # *) Nintendo - Nintendo 3DS (Digital) (CDN) (Console) (20191110-064909) # *) Nintendo - Nintendo 3DS (Digital) (Parent-Clone) (20190801-212709) # *) Nintendo - Nintendo 3DS (Encrypted) (20191109-080816) # *) Nintendo - Nintendo 3DS (Encrypted) (Parent-Clone) (Parent-Clone) (20191109-080816) Platform('Nintendo 3DS', 'nintendo-n3ds', 'n3ds', None, '4912', '101', '17', '116', DAT_NOINTRO, 'Nintendo - Nintendo 3DS (Decrypted) (Parent-Clone)'), # No-Intro Nintendo 64 DAT files: # *) Nintendo - Nintendo 64 (BigEndian) (20190918-121135) # *) Nintendo - Nintendo 64 (BigEndian) (Parent-Clone) (Parent-Clone) (20190918-121135) # *) Nintendo - Nintendo 64 (ByteSwapped) (20190918-121135) Platform('Nintendo 64', 'nintendo-n64', 'n64', None, '3', '9', '14', '84', DAT_NOINTRO, 'Nintendo - Nintendo 64 (BigEndian) (Parent-Clone)'), # Nintendo 64DD not found on MobyGames. Platform('Nintendo 64DD', 'nintendo-n64dd', 'n64dd', None, '3', '9', '122', '92', DAT_NOINTRO, 'Nintendo - Nintendo 64DD'), # No-Intro Nintendo DS DAT files: # *) Nintendo - Nintendo DS (Decrypted) (20191117-150815) # *) Nintendo - Nintendo DS (Decrypted) (Parent-Clone) (Parent-Clone) (20191117-150815) # *) Nintendo - Nintendo DS (Download Play) (20190825-082425) # *) Nintendo - Nintendo DS (Download Play) (Parent-Clone) (20190825-082425) # *) Nintendo - Nintendo DS (Encrypted) (20191117-150815) Platform('Nintendo DS', 'nintendo-nds', 'nds', None, '8', '44', '15', '108', DAT_NOINTRO, 'Nintendo - Nintendo DS (Decrypted) (Parent-Clone)'), # No-Intro Nintendo DSi DAT files: # *) Nintendo - Nintendo DSi (Decrypted) (20190503-112150) # *) Nintendo - Nintendo DSi (Decrypted) (Parent-Clone) (Parent-Clone) (20190503-112150) # *) Nintendo - Nintendo DSi (Digital) (20190813-061824) # *) Nintendo - Nintendo DSi (Digital) (Parent-Clone) (20190813-061824) # *) Nintendo - Nintendo DSi (Encrypted) (20190503-112150) Platform('Nintendo DSi', 'nintendo-ndsi', 'ndsi', None, '8', '87', '15', '108', DAT_NOINTRO, 'Nintendo - Nintendo DSi (Decrypted) (Parent-Clone)'), Platform('Nintendo e-Reader', 'nintendo-ereader', 'ereader', None, None, None, '119', None, DAT_NOINTRO, 'Nintendo - e-Reader'), Platform('Nintendo Famicon', 'nintendo-famicon', 'famicon', 'nes'), # FDS not found on MobyGames, make same as NES. # FDS No-Intro DAT files: # *) Nintendo - Family Computer Disk System (FDS) (20191109-080316) # *) Nintendo - Family Computer Disk System (FDS) (Parent-Clone) (Parent-Clone) (20191109-080316) # *) Nintendo - Family Computer Disk System (FDSStickBIN) (20191109-080316) # *) Nintendo - Family Computer Disk System (FDSStickRAW) (20191109-080316) # *) Nintendo - Family Computer Disk System (QD) (20191109-080316) Platform('Nintendo Famicon Disk System', 'nintendo-fds', 'fds', None, '4936', '22', '106', '47', DAT_NOINTRO, 'Nintendo - Family Computer Disk System (FDS) (Parent-Clone)'), Platform('Nintendo GameBoy', 'nintendo-gb', 'gb', None, '4', '10', '9', '59', DAT_NOINTRO, 'Nintendo - Game Boy'), Platform('Nintendo GameBoy Advance', 'nintendo-gba', 'gba', None, '5', '12', '12', '91', DAT_NOINTRO, 'Nintendo - Game Boy Advance'), Platform('Nintendo GameBoy Color', 'nintendo-gbcolor', 'gbcolor', None, '41', '11', '10', '57', DAT_NOINTRO, 'Nintendo - Game Boy Color'), Platform('Nintendo GameCube', 'nintendo-gamecube', 'gamecube', None, '2', '14', '13', '99', DAT_REDUMP, 'Nintendo - GameCube - Datfile'), Platform('Nintendo NES', 'nintendo-nes', 'nes', None, '7', '22', '3', '41', DAT_NOINTRO, 'Nintendo - Nintendo Entertainment System'), # No-Intro New Nintendo 3DS DAT files: # *) Nintendo - New Nintendo 3DS (Decrypted) (20190402-125456) # *) Nintendo - New Nintendo 3DS (Digital) (20181009-100544) # *) Nintendo - New Nintendo 3DS (Digital) (Parent-Clone) (20181009-100544) # *) Nintendo - New Nintendo 3DS (Encrypted) (20190402-125456) # *) Nintendo - New Nintendo 3DS (Encrypted) (Parent-Clone) (Parent-Clone) (20190402-125456) Platform('Nintendo New Nintendo 3DS', 'nintendo-new3ds', 'new3ds', None, None, None, None, None, DAT_NOINTRO, 'Nintendo - New Nintendo 3DS (Decrypted) (Parent-Clone)'), # Pokemon Mini not found in GameFAQs. Platform('Nintendo Pokemon Mini', 'nintendo-pokemini', 'pokemini', None, '4957', '152', '211', None, DAT_NOINTRO, 'Nintendo - Pokemon Mini'), Platform('Nintendo Satellaview', 'nintendo-satellaview', 'satellaview', None, None, None, '107', None, DAT_NOINTRO, 'Nintendo - Satellaview'), Platform('Nintendo SNES', 'nintendo-snes', 'snes', None, '6', '15', '4', '63', DAT_NOINTRO, 'Nintendo - Super Nintendo Entertainment System (Combined)'), Platform('Nintendo Sufami Turbo', 'nintendo-sufami', 'sufami', None, None, None, '108', None, DAT_NOINTRO, 'Nintendo - Sufami Turbo'), Platform('Nintendo Switch', 'nintendo-switch', 'switch', None, '4971', '203', None, '124', DAT_NONE), Platform('Nintendo Virtual Boy', 'nintendo-vb', 'vb', None, '4918', '38', '11', '83', DAT_NOINTRO, 'Nintendo - Virtual Boy'), # No-Intro has some DATs for Wii and Wii U with tags Digital, CDN and WAD. Platform('Nintendo Wii', 'nintendo-wii', 'wii', None, '9', '82', '16', '114', DAT_NONE), Platform('Nintendo Wii U', 'nintendo-wiiu', 'wiiu', None, '38', '132', '18', '118', DAT_NONE), Platform('Ouya Ouya', 'console-ouya', 'ouya', None, '4921', '144', None, None, DAT_NOINTRO, 'Ouya - Ouya'), # --- Philips --- # The Philips Videopac G7000 is the European name of the Magnavox Odyssey2. Platform('Philips Videopac G7000', 'console-g7000', 'g7000', 'odyssey2'), # Alias of g7000 in ScreenScraper. Not found in GameFAQs. Platform('Philips Videopac Plus G7400', 'console-g7400', 'g7400', None, None, '128', '104', None, DAT_NOINTRO, 'Philips - Videopac+'), # --- RCA --- Platform('RCA Studio II', 'console-studio2', 'studio2', None, '4967', '113', None, None, DAT_NOINTRO, 'RCA - Studio II'), # --- ScummVM --- Platform('ScummVM', 'games-scummvm', 'scummvm', None, None, None, '123', None, DAT_NONE), # --- Sega --- Platform('Sega 32X', 'sega-32x', '32x', None, '33', '21', '19', '74', DAT_NOINTRO, 'Sega - 32X'), # The Advanced Pico Beena is an upgraded Sega PICO. Platform('Sega Beena', 'sega-beena', 'beena', None, None, None, None, None, DAT_NOINTRO, 'Sega - Beena'), Platform('Sega Dreamcast', 'sega-dreamcast', 'dreamcast', None, '16', '8', '23', '67', DAT_REDUMP, 'Sega - Dreamcast - Datfile'), Platform('Sega Game Gear', 'sega-gamegear', 'gamegear', None, '20', '25', '21', '62', DAT_NOINTRO, 'Sega - Game Gear'), Platform('Sega Genesis', 'sega-genesis', 'genesis', 'megadrive'), Platform('Sega Master System', 'sega-sms', 'sms', None, '35', '26', '2', '49', DAT_NOINTRO, 'Sega - Master System - Mark III'), Platform('Sega Mega Drive', 'sega-megadrive', 'megadrive', None, '36', '16', '1', '54', DAT_NOINTRO, 'Sega - Mega Drive - Genesis'), Platform('Sega MegaCD', 'sega-megacd', 'megacd', None, '21', '20', '20', '65', DAT_REDUMP, 'Sega - Mega CD & Sega CD - Datfile'), Platform('Sega PICO', 'sega-pico', 'pico', None, '4958', '103', None, None, DAT_NOINTRO, 'Sega - PICO'), Platform('Sega Saturn', 'sega-saturn', 'saturn', None, '17', '23', '22', '76', DAT_REDUMP, 'Sega - Saturn - Datfile'), # The SG-1000 was released in several forms, including the SC-3000 computer and # the redesigned SG-1000 II. Platform('Sega SC-3000', 'sega-sc3000', 'sc3000', 'sg1000'), Platform('Sega SegaCD', 'sega-segacd', 'segacd', 'megacd'), Platform('Sega SG-1000', 'sega-sg1000', 'sg1000', None, '4949', '114', '109', '43', DAT_NOINTRO, 'Sega - SG-1000'), # --- Sharp --- Platform('Sharp X68000', 'computer-x68k', 'x68k', None, '4931', '106', '79', '52', DAT_NONE), # --- Sinclair --- Platform('Sinclair ZX Spectrum', 'computer-spectrum', 'spectrum', None, '4913', '41', '76', '35', DAT_NONE), Platform('Sinclair ZX Spectrum Plus 3', 'computer-spectrump3', 'spectrump3', None, None, None, None, None, DAT_NOINTRO, 'Sinclair - ZX Spectrum +3'), # I think the ZX80 and the ZX81 are incompatible computers. Platform('Sinclair ZX80', 'computer-zx80', 'zx80', None, None, '118', None, None, DAT_LIBRETRO), Platform('Sinclair ZX81', 'computer-zx81', 'zx81', None, None, '119', '77', None, DAT_LIBRETRO), # --- SNK --- # MobyGames has a platform Neo Geo = '36' # ScreenScraper has a platform Neo Geo AES = '142' # GameFAQs has a platform NeoGeo = '64' Platform('SNK Neo-Geo AES', 'snk-aes', 'aes', 'mame'), Platform('SNK Neo-Geo CD', 'snk-neocd', 'neocd', None, '4956', '54', '70', '68', DAT_REDUMP, 'SNK - Neo Geo CD - Datfile'), # ScreenScraper has a platform for Neo Geo MVS = '68' Platform('SNK Neo-Geo MVS', 'snk-mvs', 'mvs', 'mame'), Platform('SNK Neo-Geo Pocket', 'snk-ngp', 'ngp', None, '4922', '52', '25', None, DAT_NOINTRO, 'SNK - Neo Geo Pocket'), Platform('SNK Neo-Geo Pocket Color', 'snk-ngpcolor', 'ngpcolor', None, '4923', '53', '82', '89', DAT_NOINTRO, 'SNK - Neo Geo Pocket Color'), # --- SONY --- Platform('Sony PlayStation', 'sony-psx', 'psx', None, '10', '6', '57', '78', DAT_REDUMP, 'Sony - PlayStation - Datfile'), Platform('Sony PlayStation 2', 'sony-ps2', 'ps2', None, '11', '7', '58', '94', DAT_REDUMP, 'Sony - PlayStation 2 - Datfile'), Platform('Sony PlayStation 3', 'sony-ps3', 'ps3', None, '12', '81', '59', '113', DAT_NONE), Platform('Sony PlayStation 4', 'sony-ps4', 'ps4', None, '4919', '141', None, '120', DAT_NONE), # No-Intro has PSP DATs: # *) Sony - PlayStation Portable (20191005-125849) # *) Sony - PlayStation Portable (Parent-Clone) (20191005-125849) # *) Sony - PlayStation Portable (PSN) (Decrypted) (20180929-050404) # *) Sony - PlayStation Portable (PSN) (Encrypted) (20190111-145824) # *) Sony - PlayStation Portable (PSN) (Encrypted) (Parent-Clone) (20190111-145824) # *) Sony - PlayStation Portable (PSX2PSP) (20130318-035538) # *) Sony - PlayStation Portable (PSX2PSP) (Parent-Clone) (20130318-035538) # *) Sony - PlayStation Portable (UMD Music) (20180911-072923) # *) Sony - PlayStation Portable (UMD Music) (Parent-Clone) (20180911-072923) # *) Sony - PlayStation Portable (UMD Video) (20191023-221355) # *) Sony - PlayStation Portable (UMD Video) (Parent-Clone) (20191023-221355) # # Should the Redump or No-Intro DAT used for PSP? Platform('Sony PlayStation Portable', 'sony-psp', 'psp', None, '13', '46', '61', '109', DAT_REDUMP, 'Sony - PlayStation Portable - Datfile'), # No-Intro has PS Vita DATs. Platform('Sony PlayStation Vita', 'sony-psvita', 'psvita', None, '39', '105', '62', '117', DAT_NONE), Platform('Tiger Game.com', 'console-tigergame', 'tigergame', None, '4940', '50', '121', None, DAT_NOINTRO, 'Tiger - Game.com'), Platform('VTech CreatiVision', 'console-creativision', 'creativision', None, None, '212', None, None, DAT_NOINTRO, 'VTech - CreatiVision'), Platform('VTech V.Flash', 'console-vflash', 'vflash', None, None, '189', None, None, DAT_REDUMP, 'VTech - V.Flash & V.Smile Pro - Datfile'), Platform('VTech V.Smile', 'console-vsmile', 'vsmile', None, None, '42', '120', None, DAT_NOINTRO, 'VTech - V.Smile'), Platform('VTech V.Smile Pro', 'console-vsmilepro', 'vsmilepro', 'vflash'), Platform('Watara Supervision', 'console-supervision', 'supervision', None, '4959', '109', '207', None, DAT_NOINTRO, 'Watara - Supervision'), Platform('Zeebo Zeebo', 'console-zeebo', 'zeebo', None, None, '88', None, None, DAT_NOINTRO, 'Zeebo - Zeebo'), # --- Unknown --- Platform(PLATFORM_UNKNOWN_LONG, PLATFORM_UNKNOWN_SHORT, PLATFORM_UNKNOWN_COMPACT), ] # --- Add category to platform objects --- # The category is the first part of the short name. for p_obj in AEL_platforms: p_obj.category = p_obj.short_name.split('-')[0] # Dictionaries for fast access to the platform information. # Also, platform long name list for select() dialogs. platform_long_to_index_dic = {} platform_short_to_index_dic = {} platform_compact_to_index_dic = {} AEL_platform_list = [] for index, p_obj in enumerate(AEL_platforms): platform_long_to_index_dic[p_obj.long_name] = index platform_short_to_index_dic[p_obj.short_name] = index platform_compact_to_index_dic[p_obj.compact_name] = index AEL_platform_list.append(p_obj.long_name) # Returns the platform numerical index from the platform name. If the platform name is not # found then returns the index of the 'Unknown' platform. # platform may be a long_name, short_name or compact_name, all platform names are searched # in an efficient way. def get_AEL_platform_index(platform): try: return platform_long_to_index_dic[platform] except KeyError: pass try: return platform_short_to_index_dic[platform] except KeyError: pass try: return platform_compact_to_index_dic[platform] except KeyError: pass return platform_long_to_index_dic[PLATFORM_UNKNOWN_LONG] # NOTE must take into account platform aliases. # '0' means any platform in TGDB and must be returned when there is no platform matching. def AEL_platform_to_TheGamesDB(platform_long_name): if platform_long_name in platform_long_to_index_dic: pobj = AEL_platforms[platform_long_to_index_dic[platform_long_name]] else: # Platform not found. return DEFAULT_PLAT_TGDB scraper_platform = pobj.TGDB_plat # Check if platform is an alias. # If alias does not have specific platform return platform of parent. if pobj.aliasof is not None and scraper_platform is None: parent_idx = platform_compact_to_index_dic[pobj.aliasof] parent_long_name = AEL_platforms[parent_idx].long_name return AEL_platform_to_TheGamesDB(parent_long_name) # If platform is None then return default platform return DEFAULT_PLAT_TGDB if scraper_platform is None else scraper_platform # * MobyGames API cannot be used withouth a valid platform. # * If '0' is used as the Unknown platform then MobyGames returns an HTTP error # "HTTP Error 422: UNPROCESSABLE ENTITY" # * If '' is used as the Unknwon platform then MobyGames returns and HTTP error # "HTTP Error 400: BAD REQUEST" # * The solution is to use '0' as the unknwon platform. AEL will detect this and # will remove the '&platform={}' parameter from the search URL. def AEL_platform_to_MobyGames(platform_long_name): if platform_long_name in platform_long_to_index_dic: pobj = AEL_platforms[platform_long_to_index_dic[platform_long_name]] else: return DEFAULT_PLAT_MOBYGAMES scraper_platform = pobj.MG_plat if pobj.aliasof is not None and scraper_platform is None: parent_idx = platform_compact_to_index_dic[pobj.aliasof] parent_long_name = AEL_platforms[parent_idx].long_name return AEL_platform_to_MobyGames(parent_long_name) return DEFAULT_PLAT_MOBYGAMES if scraper_platform is None else scraper_platform def AEL_platform_to_ScreenScraper(platform_long_name): if platform_long_name in platform_long_to_index_dic: pobj = AEL_platforms[platform_long_to_index_dic[platform_long_name]] else: return DEFAULT_PLAT_SCREENSCRAPER scraper_platform = pobj.SS_plat if pobj.aliasof is not None and scraper_platform is None: parent_idx = platform_compact_to_index_dic[pobj.aliasof] parent_long_name = AEL_platforms[parent_idx].long_name return AEL_platform_to_ScreenScraper(parent_long_name) return DEFAULT_PLAT_SCREENSCRAPER if scraper_platform is None else scraper_platform # Platform '0' means all platforms in GameFAQs. def AEL_platform_to_GameFAQs(platform_long_name): if platform_long_name in platform_long_to_index_dic: pobj = AEL_platforms[platform_long_to_index_dic[platform_long_name]] else: return DEFAULT_PLAT_GAMEFAQS scraper_platform = pobj.GF_plat if pobj.aliasof is not None and scraper_platform is None: parent_idx = platform_compact_to_index_dic[pobj.aliasof] parent_long_name = AEL_platforms[parent_idx].long_name return AEL_platform_to_GameFAQs(parent_long_name) return DEFAULT_PLAT_GAMEFAQS if scraper_platform is None else scraper_platform # ------------------------------------------------------------------------------------------------- # Miscellaneous emulator and gamesys (platforms) supported. # ------------------------------------------------------------------------------------------------- def emudata_get_program_arguments(app_name): # Based on the application name, retrieve the default arguments. applications = { 'mame' : '"$rombasenoext$"', 'mednafen' : '-fs 1 "$rom$"', 'mupen64plus' : '--nogui --noask --noosd --fullscreen "$rom$"', 'nestopia' : '"$rom$"', 'xbmc' : 'PlayMedia($rom$)', 'kodi' : 'PlayMedia($rom$)', 'retroarch' : '-L /path/to/core -f "$rom$"', 'yabause' : '-a -f -i "$rom$"', } for app_key in applications: if app_name.lower().find(app_key) >= 0: return applications[app_key] return '"$rom$"' def emudata_get_program_extensions(app_name): # Based on the application name, retrieve the recognized extension. app_extensions = { 'mame' : 'zip|7z', 'mednafen' : 'zip|cue', 'mupen64plus': 'z64|zip|n64', 'nestopia' : 'nes|zip', 'retroarch' : 'zip|cue', 'yabause' : 'cue', } for app_key in app_extensions: if app_name.lower().find(app_key) >= 0: return app_extensions[app_key] return ''
Wintermute0110/plugin.program.advanced.emulator.launcher
resources/platforms.py
Python
gpl-2.0
33,069
[ "Jaguar" ]
a7593507ad1e9e8e4a0243a885e5b811cfd6d91f07516c877cca43eae49e1b08
#!/usr/bin/env python # -*- coding: utf-8 -*- # # Project Compiler # import os, sys, re, shutil, time, run, sgmllib, codecs, tempfile, subprocess template_dir = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) sys.path.append(os.path.abspath(os.path.join(template_dir,'..'))) sys.path.append(os.path.abspath(os.path.join(template_dir,'..', 'common'))) from tiapp import * import jspacker from csspacker import CSSPacker import traceback try: import json except: import simplejson as json ignoreFiles = ['.gitignore', '.cvsignore', '.DS_Store', '_svn']; ignoreDirs = ['iphone', 'android', 'mobileweb', '.git', '.svn', 'CVS']; HEADER = """/** * Appcelerator Titanium Mobile * This is generated code. Do not modify. Your changes *will* be lost. * Generated code is Copyright (c) 2009-2012 by Appcelerator, Inc. * All Rights Reserved. */ #import <Foundation/Foundation.h> """ INTERFACE_HEADER= """ @interface ApplicationRouting : NSObject { } + (NSData*) resolveAppAsset:(NSString*)path; """ IMPL_HEADER= """#import "ApplicationRouting.h" extern NSData* filterDataInRange(NSData* thedata, NSRange range); @implementation ApplicationRouting """ FOOTER =""" @end """ MODULE_IMPL_HEADER = """#import "ApplicationMods.h" @implementation ApplicationMods + (NSArray*) compiledMods { NSMutableArray *modules = [NSMutableArray array]; """ class HTMLParser(sgmllib.SGMLParser): def parse(self, s): self.feed(s) self.close() def __init__(self, verbose=0): sgmllib.SGMLParser.__init__(self, verbose) self.scripts = [] def start_script(self, attributes): for name, value in attributes: if name == "src": self.scripts.append(value) def get_scripts(self): return self.scripts def read_module_properties(dir): file = os.path.join(dir,'manifest') dict = {} if os.path.exists(file): contents = open(file).read() for line in contents.splitlines(True): if line[0:1]=='#': continue idx = line.find(':') if idx==-1: continue k=line[0:idx] v=line[idx+1:].strip() dict[k]=v return dict #Convert non-unicode obj to unicode encoded in utf-8. def to_unicode_or_not(obj, encoding='utf-8'): if isinstance(obj, basestring): if not isinstance(obj, unicode): obj = unicode(obj, encoding) return obj # Need to pre-parse xcconfig files to mangle variable names, and then # dump them into a map so that we can re-assemble them later def parse_xcconfig(xcconfig, moduleId, variables): module_xcconfig = open(xcconfig) new_xcconfig = '' local_variables = {} prefix = moduleId.upper().replace('.','_') for line in module_xcconfig: # Strip comments comment = line.find('//') if comment != -1: line = line[0:comment] # Generate new varname / value pairings # The regular expression parses a valid line into components # <var>=<value> # <var>[<key>=<keyvalue>]=<value> # e.g. # OTHER_LDFLAGS=-framework EventKit # OTHER_LDFLAGS[sdk=iphoneos4*]=-liconv splitline = re.split('(([^\[=]+)(\[[^\]]+\])?) *=? *(.+)', line) if len(splitline) >= 5: varname = splitline[1] value = splitline[4] name = prefix + '_' + varname.strip() name = re.sub(r'[^\w]', '_', name) local_variables[varname] = name new_xcconfig += name + '=' + value + '\n' module_xcconfig.close() # Update any local variable references with new varname # and add variables to the global variables map for (varname, name) in local_variables.iteritems(): source = '$(%s)' % varname target = '$(%s)' % name new_xcconfig = new_xcconfig.replace(source,target) # Add new varname to the list if not varname in variables: variables[varname] = [name] else: variables[varname].append(name) new_xcconfig += '\n' return new_xcconfig def softlink_resources(source,target,use_ignoreDirs=True): if not os.path.exists(target): os.makedirs(target) for file in os.listdir(source): if (use_ignoreDirs and (file in ignoreDirs)) or (file in ignoreFiles): continue from_ = to_unicode_or_not(os.path.join(source, file)) to_ = to_unicode_or_not(os.path.join(target, file)) if os.path.isdir(from_): print "[DEBUG] creating: %s" % (to_) softlink_resources(from_,to_,use_ignoreDirs) else: print "[DEBUG] linking: %s to %s" % (from_,to_) if os.path.exists(to_): if os.path.islink(to_): os.remove(to_) os.symlink(from_, to_) else: os.symlink(from_, to_) def clear_application_routing(classes_dir): impf = open(os.path.join(classes_dir,'ApplicationRouting.m'),'w+') impf.write(HEADER) impf.write(IMPL_HEADER) impf.write("+ (NSData*) resolveAppAsset:(NSString*)path;\n{\n") impf.write(" return nil;\n") impf.write('}\n') impf.write(FOOTER) impf.close() def softlink_for_simulator(project_dir,app_dir): resources_dir = os.path.join(project_dir,'Resources') iphone_resources_dir = os.path.join(resources_dir,'iphone') iphone_platform_dir = os.path.join(project_dir,'platform','iphone') softlink_resources(resources_dir,app_dir) if(os.path.exists(iphone_resources_dir)): softlink_resources(iphone_resources_dir,app_dir,False) dest_mod_dir = os.path.join(app_dir,'modules') src_mod_dir = os.path.join(project_dir,'modules') if(os.path.exists(src_mod_dir)): softlink_resources(src_mod_dir,dest_mod_dir) src_mod_iphone_dir = os.path.join(src_mod_dir,'iphone') if(os.path.exists(src_mod_iphone_dir)): softlink_resources(os.path.join(project_dir,'modules','iphone'),dest_mod_dir,False) iphone_classes_dir = os.path.join(project_dir,'build','iphone','Classes') clear_application_routing(iphone_classes_dir) # # TODO/FIXME # # - encryptor # class Compiler(object): def __init__(self, project_dir, appid, name, deploytype): self.deploytype = deploytype self.project_dir = project_dir self.project_name = name self.appid = appid if deploytype != 'export-build' and deploytype != 'commonjs': self.iphone_dir = os.path.join(project_dir,'build','iphone') else: self.iphone_dir = project_dir self.classes_dir = os.path.join(self.iphone_dir,'Classes') self.assets_dir = os.path.join(self.iphone_dir,'assets') self.modules = [] self.modules_metadata = [] self.exports = [] # for now, these are required self.defines = ['USE_TI_ANALYTICS','USE_TI_NETWORK','USE_TI_PLATFORM','USE_TI_UI', 'USE_TI_API'] def compileProject(self,xcode=False,devicefamily='ios',iphone_version='iphoneos',silent=False,sdk=None): tiapp_xml = os.path.join(self.project_dir,'tiapp.xml') ti = TiAppXML(tiapp_xml) if sdk is None: sdk_version = os.path.basename(os.path.abspath(os.path.join(template_dir,'../'))) else: sdk_version = sdk if xcode: app_name = os.environ['FULL_PRODUCT_NAME'] app_dir = os.path.join(os.environ['TARGET_BUILD_DIR'],os.environ['CONTENTS_FOLDER_PATH']) else: target = 'Debug' if self.deploytype == 'production': target = 'Release' app_name = self.project_name+'.app' app_folder_name = '%s-iphoneos' % target app_dir = os.path.abspath(os.path.join(self.iphone_dir,'build',app_folder_name,app_name)) if not silent: print "[INFO] Titanium SDK version: %s" % sdk_version print "[INFO] iPhone Device family: %s" % devicefamily print "[INFO] iPhone SDK version: %s" % iphone_version if self.deploytype != 'export-build': main_template_file = os.path.join(template_dir,'main.m') main_template = codecs.open(main_template_file, encoding='utf-8').read() main_template = main_template.replace('__PROJECT_NAME__',self.project_name) main_template = main_template.replace('__PROJECT_ID__',self.appid) main_template = main_template.replace('__DEPLOYTYPE__',self.deploytype) main_template = main_template.replace('__APP_ID__',self.appid) main_template = main_template.replace('__APP_ANALYTICS__',ti.properties['analytics']) main_template = main_template.replace('__APP_PUBLISHER__',ti.properties['publisher']) main_template = main_template.replace('__APP_URL__',ti.properties['url']) main_template = main_template.replace('__APP_NAME__',ti.properties['name']) main_template = main_template.replace('__APP_VERSION__',ti.properties['version']) main_template = main_template.replace('__APP_DESCRIPTION__',ti.properties['description']) main_template = main_template.replace('__APP_COPYRIGHT__',ti.properties['copyright']) main_template = main_template.replace('__APP_GUID__',ti.properties['guid']) main_template = main_template.replace('__APP_RESOURCE_DIR__','') main_template_out = os.path.join(self.iphone_dir,'main.m') main_file = codecs.open(main_template_out,'w+',encoding='utf-8') main_file_contents = main_file.read() if main_file_contents!=main_template: main_file.write(main_template) main_file.close() resources_dir = os.path.join(self.project_dir,'Resources') iphone_resources_dir = os.path.join(resources_dir,'iphone') iphone_platform_dir = os.path.join(self.project_dir,'platform','iphone') # copy in any resources in our module like icons # NOTE: This means that any JS-only modules in the local project # are hashed up and dumped into the export. has_modules = False missing_modules, modules, module_js = ([], [], []) module_js_dir = os.path.join(self.project_dir,'modules') if os.path.exists(module_js_dir): for file in os.listdir(module_js_dir): if file.endswith('.js'): module_js.append({'from':os.path.join(module_js_dir,file),'to':os.path.join(app_dir,file),'path':'modules/'+file}) if self.deploytype != 'export-build': # Have to load the module detection here, in order to # prevent distributing even MORE stuff in export/transport sys.path.append(os.path.join(template_dir,'../module')) from module import ModuleDetector detector = ModuleDetector(self.project_dir) missing_modules, modules = detector.find_app_modules(ti, 'iphone', self.deploytype) # we have to copy these even in simulator given the path difference if os.path.exists(app_dir): self.copy_resources([iphone_resources_dir],app_dir,False) if os.path.exists(app_dir): self.copy_resources([iphone_platform_dir],app_dir,False) # generate the includes for all compiled modules xcconfig_c = "// this is a generated file - DO NOT EDIT\n\n" if len(modules) > 0: mods = open(os.path.join(self.classes_dir,'ApplicationMods.m'),'w+') variables = {} mods.write(MODULE_IMPL_HEADER) for module in modules: if module.js: # CommonJS module module_js.append({'from': module.js, 'path': 'modules/' + os.path.basename(module.js)}) module_id = module.manifest.moduleid.lower() module_name = module.manifest.name.lower() module_version = module.manifest.version module_guid = '' module_licensekey = '' if module.manifest.has_property('guid'): module_guid = module.manifest.guid if module.manifest.has_property('licensekey'): module_licensekey = module.manifest.licensekey self.modules_metadata.append({'guid':module_guid,'name':module_name,'id':module_id,'dir':module.path,'version':module_version,'licensekey':module_licensekey}) xcfile = module.get_resource('module.xcconfig') if os.path.exists(xcfile): xcconfig_contents = parse_xcconfig(xcfile, module_id, variables) xcconfig_c += xcconfig_contents xcfile = os.path.join(self.project_dir,'modules','iphone',"%s.xcconfig" % module_name) if os.path.exists(xcfile): xcconfig_contents = parse_xcconfig(xcfile, module_id, variables) xcconfig_c += xcconfig_contents mods.write(" [modules addObject:[NSDictionary dictionaryWithObjectsAndKeys:@\"%s\",@\"name\",@\"%s\",@\"moduleid\",@\"%s\",@\"version\",@\"%s\",@\"guid\",@\"%s\",@\"licensekey\",nil]];\n" % (module_name,module_id,module_version,module_guid,module_licensekey)); # Load export symbols from modules... metadata_path = os.path.join(module.path, 'metadata.json') if os.path.exists(metadata_path): self.load_metadata(metadata_path) mods.write(" return modules;\n") mods.write("}\n") mods.write(FOOTER) mods.close() for (name, values) in variables.iteritems(): xcconfig_c += name + '=$(inherited) ' for value in values: xcconfig_c += '$(%s) ' % value xcconfig_c += '\n' has_modules = True xcconfig = os.path.join(self.iphone_dir,"module.xcconfig") make_xcc = True if os.path.exists(xcconfig): existing_xcc = open(xcconfig).read() # only copy if different so we don't trigger re-compile in xcode make_xcc = existing_xcc!=xcconfig_c if make_xcc: xcconfig = open(xcconfig,'w') xcconfig.write(xcconfig_c) xcconfig.close() #endif deploytype != 'export-build' else: # ... And for exported projects, load export symbols from # the 'metadata' dir. metadata_dir = os.path.join(self.iphone_dir, 'metadata') if os.path.isdir(metadata_dir): for file in os.listdir(metadata_dir): self.load_metadata(os.path.join(metadata_dir,file)) if self.deploytype=='simulator' or self.deploytype=='export': shutil.copy(os.path.join(template_dir,'Classes','defines.h'),os.path.join(self.classes_dir,'defines.h')) if self.deploytype!='development' or has_modules: if os.path.exists(app_dir) and self.deploytype != 'development': self.copy_resources([resources_dir],app_dir,self.deploytype != 'test',module_js) if self.deploytype == 'production': debugger_plist = os.path.join(app_dir,'debugger.plist') if os.path.exists(debugger_plist): os.remove(debugger_plist) if self.deploytype!='development' and self.deploytype!='export': defines_file = os.path.join(self.classes_dir, 'defines.h') defines_header = open(defines_file,'w+') defines_content = "// Warning: this is generated file. Do not modify!\n\n" defines_content+= "#define TI_VERSION %s\n"%sdk_version for sym in self.defines: defines_content+="#define %s\n" % sym if defines_content!=defines_header.read(): defines_header.write(defines_content) defines_header.close() # deploy any module image files for module in self.modules: img_dir = os.path.join(template_dir,'modules',module.lower(),'images') print "[DEBUG] module image = %s" % img_dir if not os.path.exists(img_dir): continue dest_img_dir = os.path.join(app_dir,'modules',module.lower(),'images') if not os.path.exists(dest_img_dir): os.makedirs(dest_img_dir) self.copy_resources([img_dir],dest_img_dir,False) if self.deploytype!='development' and os.path.exists(app_dir): # optimize PNGs - since we don't include them in the Resources of the xcodeproj # the ones we copy in won't get optimized so we need to run it manually # we can skip this on the simulator but should do it on device dev_path = "/Developer" # we need to ask xcode where the root path is path = run.run(["/usr/bin/xcode-select","-print-path"],True,False) if path: dev_path = path.strip() run.run(["%s/Platforms/iPhoneOS.platform/Developer/usr/bin/iphoneos-optimize"%dev_path,app_dir],False) # remove empty directories os.chdir(app_dir) os.system("find . -type d -empty -delete") else: print "[INFO] Skipping JS compile, running from simulator" if self.deploytype=='development': softlink_for_simulator(self.project_dir,app_dir) def compile_module(self): appid_js_file = os.path.join(self.assets_dir, self.appid+'.js') if not os.path.exists(appid_js_file): appid_js_file = os.path.join(self.project_dir, '..', 'assets', self.appid+'.js') root_asset = self.compile_commonjs_file(self.appid+'.js', appid_js_file) js_files = [] for root, dirs, files in os.walk(self.assets_dir, True, None, True): for file in [f for f in files if os.path.splitext(f)[1] == '.js']: full_path = os.path.join(root, file) self.compile_js_file(os.path.relpath(full_path, self.assets_dir), full_path, js_files) template_dir = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) titanium_prep = os.path.abspath(os.path.join(template_dir,'titanium_prep')) cmdinputfile = tempfile.TemporaryFile() cmdinputfile.write('\n'.join(js_files)) cmdinputfile.seek(0) module_assets = subprocess.Popen([titanium_prep, self.appid, self.assets_dir], stdin=cmdinputfile,stderr=subprocess.STDOUT,stdout=subprocess.PIPE).communicate()[0] cmdinputfile.close() # Clean up the generated assets for file in js_files: os.remove(os.path.join(self.assets_dir, file)) return (root_asset, module_assets) def load_metadata(self, file): module_metadata = open(file,'r') metadata = json.load(module_metadata) module_metadata.close() for symbol in metadata['exports']: self.add_symbol(symbol) def add_symbol(self,api): print "[DEBUG] detected symbol: %s" % api curtoken = '' tokens = api.split(".") try: self.modules.index(tokens[0]) except: self.modules.append(tokens[0]) for token in tokens: curtoken+=token+"." symbol = 'USE_TI_%s' % (curtoken.replace('.create','').replace('.','').replace('-','_').upper()) try: self.defines.index(symbol) except: self.defines.append(symbol) def extract_tokens(self,sym,line): # sloppy joe parsing coooode # could be prettier and faster but it works and rather reliable c = 0 tokens = [] search = sym + "." size = len(search) while True: i = line.find(search,c) if i < 0: break found = False buf = '' x = 0 for n in line[i+size:]: # look for a terminal - this could probably be easier if n in ['(',')','{','}','=',',',' ',':','!','[',']','+','*','/','~','^','%','\n','\t','\r']: found = True break buf+=n x+=1 tokens.append(buf) if found: c = i + x + 1 continue break return sorted(set(tokens)) def compile_js(self,file_contents): for line in file_contents.split(';'): for symbol in ('Titanium','Ti'): for sym in self.extract_tokens(symbol,line): self.add_symbol(sym) self.exports.append(sym) def process_html_files(self,data,source_root): compile = [] if data.has_key('.js'): for entry in data['.html']: html_file = entry['from'] file_contents = open(os.path.expanduser(html_file)).read() parser = HTMLParser() parser.parse(file_contents) # extract all our scripts that are dependencies and we # don't compile these scripts = parser.get_scripts() if len(scripts) > 0: js_files = data['.js'] for script in scripts: # if a remote script, ignore if script.startswith('http:') or script.startswith('https:'): continue if script.startswith('app://'): script = script[6:] # build a file relative to the html file fullpath = os.path.abspath(os.path.join(os.path.dirname(html_file),script)) # remove this script from being compiled for f in js_files: if f['from']==fullpath: # target it to be compiled compile.append(f) js_files.remove(f) break return compile def compile_js_asset_file(self,path,file): file_contents = open(os.path.expanduser(file)).read() if self.deploytype == 'production' or self.deploytype == 'commonjs': file_contents = jspacker.jsmin(file_contents) file_contents = file_contents.replace('Titanium.','Ti.') self.compile_js(file_contents) path = os.path.join(self.assets_dir,path) dir = os.path.dirname(path) if not os.path.exists(dir): os.makedirs(dir) tfile = open(path,'w+') tfile.write(file_contents) tfile.close() # TODO: We should remove this when we can "safely" say we no longer support # versions prior to 2.1, and also change the module loader code in iOS to # no longer check for moduleAsset. def compile_commonjs_file(self,path,from_): js_files = [] self.compile_js_file(path, from_, js_files) template_dir = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) titanium_prep = os.path.abspath(os.path.join(template_dir,'titanium_prep')) cmdinputfile = tempfile.TemporaryFile() cmdinputfile.write('\n'.join(js_files)) cmdinputfile.seek(0) so = subprocess.Popen([titanium_prep, self.appid, self.assets_dir], stdin=cmdinputfile,stderr=subprocess.STDOUT,stdout=subprocess.PIPE).communicate()[0] cmdinputfile.close() return so def compile_js_file(self, path, from_, js_files): print "[DEBUG] compiling: %s" % from_ path = path.replace('.','_') self.compile_js_asset_file(path,from_) js_files.append(path); def copy_resources(self,sources,target,write_routing=True,module_js=[]): js_files = [] if write_routing: intf = open(os.path.join(self.classes_dir,'ApplicationRouting.h'),'w+') impf = open(os.path.join(self.classes_dir,'ApplicationRouting.m'),'w+') intf.write(HEADER) intf.write(INTERFACE_HEADER) impf.write(HEADER) impf.write(IMPL_HEADER) impf.write("+ (NSData*) resolveAppAsset:(NSString*)path;\n{\n") if not os.path.exists(os.path.expanduser(target)): os.makedirs(os.path.expanduser(target)) if not os.path.exists(self.assets_dir): os.makedirs(self.assets_dir) def compile_js_file(path,from_): year, month, day, hour, minute, second, weekday, yearday, daylight = time.localtime(time.time()) print "[DEBUG] (%02d:%02d:%02d) compiling: %s" % (hour, minute, second, from_) path = path.replace('.','_') self.compile_js_asset_file(path,from_) js_files.append(path); def compile_js_files(): year, month, day, hour, minute, second, weekday, yearday, daylight = time.localtime(time.time()) print "[DEBUG] (%02d:%02d:%02d) packaging javascript" % (hour, minute, second) template_dir = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) titanium_prep = os.path.abspath(os.path.join(template_dir,'titanium_prep')) cmdinputfile = tempfile.TemporaryFile() cmdinputfile.write('\n'.join(js_files)) cmdinputfile.seek(0) so = subprocess.Popen([titanium_prep, self.appid, self.assets_dir], stdin=cmdinputfile,stderr=subprocess.STDOUT,stdout=subprocess.PIPE).communicate()[0] cmdinputfile.close() impf.write(so) year, month, day, hour, minute, second, weekday, yearday, daylight = time.localtime(time.time()) print "[DEBUG] (%02d:%02d:%02d) packaging finished" % (hour, minute, second) def add_compiled_resources(source,target): print "[DEBUG] copy resources from %s to %s" % (source,target) compiled_targets = {} for root, dirs, files in os.walk(source, True, None, True): for name in ignoreDirs: if name in dirs: dirs.remove(name) # don't visit ignored directories for file in files: if file in ignoreFiles: continue prefix = root[len(source):] from_ = to_unicode_or_not(os.path.join(root, file)) to_ = os.path.expanduser(from_.replace(source, target, 1)) to_directory = os.path.expanduser(os.path.split(to_)[0]) if not os.path.exists(to_directory): os.makedirs(to_directory) fp = os.path.splitext(file) ext = fp[1] if ext == '.jss': continue if len(fp)>1 and ext in ['.html','.js','.css']: path = prefix + os.sep + file path = path[1:] entry = {'path':path,'from':from_,'to':to_} if compiled_targets.has_key(ext): compiled_targets[ext].append(entry) else: compiled_targets[ext]=[entry] if not (write_routing and len(fp)>1 and ext in ['.html','.js','.css']): # only copy if different filesize or doesn't exist if not os.path.exists(to_) or os.path.getsize(from_)!=os.path.getsize(to_): print "[DEBUG] copying: %s to %s" % (from_,to_) shutil.copyfile(from_, to_) if compiled_targets.has_key('.html'): compiled = self.process_html_files(compiled_targets,source) if len(compiled) > 0: for c in compiled: from_ = c['from'] to_ = c['to'] path = c['path'] print "[DEBUG] copying: %s to %s" % (from_,to_) file_contents = open(from_).read() file_contents = jspacker.jsmin(file_contents) file_contents = file_contents.replace('Titanium.','Ti.') to = open(to_,'w') to.write(file_contents) to.close() for ext in ('.css','.html'): if compiled_targets.has_key(ext): for css_file in compiled_targets[ext]: from_ = css_file['from'] to_ = css_file['to'] print "[DEBUG] copying: %s to %s" % (from_,to_) if path.endswith('.css'): file_contents = open(from_).read() packer = CSSPacker(file_contents) file_contents = packer.pack() to = open(to_,'w') to.write(file_contents) to.close() else: shutil.copyfile(from_, to_) if compiled_targets.has_key('.js'): for js_file in compiled_targets['.js']: path = js_file['path'] from_ = js_file['from'] compile_js_file(path, from_) # copy in any module assets for metadata in self.modules_metadata: tp_dir = os.path.join(metadata['dir'],'assets') if not os.path.exists(tp_dir): continue tp_id = metadata['id'] t = '%s/modules/%s' %(target,tp_id) add_compiled_resources(tp_dir,t) for source in sources: add_compiled_resources(source,target) for js_file in module_js: compile_js_file(js_file['path'], js_file['from']) if write_routing: compile_js_files(); impf.write("\tNSNumber *index = [map objectForKey:path];\n") impf.write("\tif (index == nil) { return nil; }\n") impf.write("\treturn filterDataInRange([NSData dataWithBytesNoCopy:data length:sizeof(data) freeWhenDone:NO], ranges[index.integerValue]);\n") impf.write('}\n') intf.write(FOOTER) impf.write(FOOTER) intf.close() impf.close() if __name__ == "__main__": argv = sys.argv if len(argv) < 3: print "[USAGE] %s <dir> <deploytype> [devicetype] [ios_version] [sdk_version]" % argv[0] exit(1) project_dir = argv[1] deploytype = argv[2] if deploytype == 'export-build': xcode = True else: xcode = False if len(argv) >= 4: devicefamily = argv[3] else: devicefamily = 'unknown' if len(argv) >= 5: ios = argv[4] else: ios = 'unknown' if len(argv) >= 6: sdk = argv[5] else: sdk = None tiapp_xml = os.path.join(project_dir,'tiapp.xml') ti = TiAppXML(tiapp_xml) appid = ti.properties['id'] name = ti.properties['name'] c = Compiler(project_dir,appid,name,deploytype) c.compileProject(xcode,devicefamily,ios,sdk=sdk)
openbaoz/titanium_mobile
support/iphone/compiler.py
Python
apache-2.0
26,373
[ "VisIt" ]
977e88a4ba901b8f264409123fd34a05ad90cc7a145bf4f3a7dd077520fd7a9e
# # Copyright (c) 2016, 2017, Oracle and/or its affiliates. All rights reserved. # DO NOT ALTER OR REMOVE COPYRIGHT NOTICES OR THIS FILE HEADER. # # This code is free software; you can redistribute it and/or modify it # under the terms of the GNU General Public License version 2 only, as # published by the Free Software Foundation. # # This code is distributed in the hope that it will be useful, but WITHOUT # ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or # FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License # version 2 for more details (a copy is included in the LICENSE file that # accompanied this code). # # You should have received a copy of the GNU General Public License version # 2 along with this work; if not, write to the Free Software Foundation, # Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. # # Please contact Oracle, 500 Oracle Parkway, Redwood Shores, CA 94065 USA # or visit www.oracle.com if you need additional information or have any # questions. # ''' The pkgtest command operates in two modes: 1. In development mode it uses the FastR 'Rscript' command and the internal GNU R for test comparison 2. In production mode it uses the GraalVM 'Rscript' command and a GNU R loaded as a sibling suite. This is indicated by the environment variable 'FASTR_GRAALVM' being set. (GRAALVM_FASTR is also accepted for backwards cmpatibility) Evidently in case 2, there is the potential for a version mismatch between FastR and GNU R, and this is checked. In either case all the output is placed in the fastr suite dir. Separate directories are used for FastR and GNU R package installs and tests, namely 'lib.install.packages.{fastr,gnur}' and 'test.{fastr,gnur}' (sh syntax). ''' from os.path import join, relpath from datetime import datetime import shutil, os, re import subprocess import hashlib import mx import mx_fastr quiet = False graalvm = None def _fastr_suite_dir(): return mx_fastr._fastr_suite.dir def _mx_gnur(): return mx.suite('gnur') def _gnur_rscript(): ''' returns path to Rscript in sibling gnur directory ''' return _mx_gnur().extensions._gnur_rscript_path() def _gnur_include_path(): if _graalvm(): return _mx_gnur().extensions._gnur_include_path() else: gnur_include_p = join(mx_fastr._gnur_path(), "include") return gnur_include_p def _fastr_include_path(): return join(_fastr_suite_dir(), 'include') def _graalvm_rscript(): assert graalvm is not None return join(graalvm, 'bin', 'Rscript') def _check_graalvm(): if os.environ.has_key('FASTR_GRAALVM'): return os.environ['FASTR_GRAALVM'] elif os.environ.has_key('GRAALVM_FASTR'): return os.environ['GRAALVM_FASTR'] else: return None def _graalvm(): global graalvm if graalvm is None: graalvm = _check_graalvm() if graalvm: # version check gnur_version = _mx_gnur().extensions.r_version().split('-')[1] graalvm_version = subprocess.check_output([_graalvm_rscript(), '--version'], stderr=subprocess.STDOUT).rstrip() if not gnur_version in graalvm_version: mx.abort('graalvm R version does not match gnur suite') return graalvm def _create_libinstall(rvm, test_installed): ''' Create lib.install.packages.<rvm>/install.tmp.<rvm>/test.<rvm> for <rvm>: fastr or gnur If use_installed_pkgs is True, assume lib.install exists and is populated (development) ''' libinstall = join(_fastr_suite_dir(), "lib.install.packages." + rvm) if not test_installed: # make sure its empty shutil.rmtree(libinstall, ignore_errors=True) os.mkdir(libinstall) install_tmp = join(_fastr_suite_dir(), "install.tmp." + rvm) # install_tmp = join(_fastr_suite_dir(), "install.tmp") shutil.rmtree(install_tmp, ignore_errors=True) os.mkdir(install_tmp) _create_testdot(rvm) return libinstall, install_tmp def _create_testdot(rvm): testdir = join(_fastr_suite_dir(), "test." + rvm) shutil.rmtree(testdir, ignore_errors=True) os.mkdir(testdir) return testdir def _log_timestamp(): if not quiet: print "timestamp: {0}".format(str(datetime.now())) def _log_step(state, step, rvariant): if not quiet: print "{0} {1} with {2}".format(state, step, rvariant) _log_timestamp() def _packages_test_project(): return 'com.oracle.truffle.r.test.packages' def _packages_test_project_dir(): return mx.project(_packages_test_project()).dir def _ensure_R_on_PATH(env, bindir): ''' Some packages (e.g. stringi) require that 'R' is actually on the PATH ''' env['PATH'] = join(bindir) + os.pathsep + os.environ['PATH'] def installpkgs(args): _installpkgs(args) def _installpkgs_script(): packages_test = _packages_test_project_dir() return join(packages_test, 'r', 'install.packages.R') def _installpkgs(args, **kwargs): ''' Runs the R script that does package/installation and testing. If we are running in a binary graalvm environment, which is indicated by the FASTR_GRAALVM environment variable, we can't use mx to invoke FastR, but instead have to invoke the command directly. ''' if kwargs.has_key('env'): env = kwargs['env'] else: env = os.environ.copy() kwargs['env'] = env script = _installpkgs_script() if _graalvm() is None: _ensure_R_on_PATH(env, join(_fastr_suite_dir(), 'bin')) return mx_fastr.rscript([script] + args, **kwargs) else: _ensure_R_on_PATH(env, os.path.dirname(_graalvm_rscript())) return mx.run([_graalvm_rscript(), script] + args, **kwargs) _pta_main_class = 'com.oracle.truffle.r.test.packages.analyzer.PTAMain' def _pta_project(): return 'com.oracle.truffle.r.test.packages.analyzer' def pta(args, **kwargs): ''' Run analysis for package installation/testing results. ''' vmArgs = mx.get_runtime_jvm_args(_pta_project()) vmArgs += [_pta_main_class] mx.run_java(vmArgs + args) def pkgtest(args): ''' Package installation/testing. rc: 0 for success; 1: install fail, 2: test fail, 3: install&test fail ''' test_installed = '--no-install' in args fastr_libinstall, fastr_install_tmp = _create_libinstall('fastr', test_installed) gnur_libinstall, gnur_install_tmp = _create_libinstall('gnur', test_installed) if "--quiet" in args: global quiet quiet = True install_args = list(args) class OutputCapture: def __init__(self): self.install_data = None self.pkg = None self.mode = None self.start_install_pattern = re.compile(r"^BEGIN processing: (?P<package>[a-zA-Z0-9\.\-]+) .*") self.test_pattern = re.compile(r"^(?P<status>BEGIN|END) testing: (?P<package>[a-zA-Z0-9\.\-]+) .*") self.time_pattern = re.compile(r"^TEST_TIME: (?P<package>[a-zA-Z0-9\.\-]+) (?P<time>[0-9\.\-]+) .*") self.status_pattern = re.compile(r"^(?P<package>[a-zA-Z0-9\.\-]+): (?P<status>OK|FAILED).*") self.install_data = dict() self.install_status = dict() self.test_info = dict() def __call__(self, data): print data, if data == "BEGIN package installation\n": self.mode = "install" return elif data == "BEGIN install status\n": self.mode = "install_status" return elif data == "BEGIN package tests\n": self.mode = "test" return if self.mode == "install": start_install = re.match(self.start_install_pattern, data) if start_install: pkg_name = start_install.group(1) self.pkg = pkg_name self.install_data[self.pkg] = "" if self.pkg: self.install_data[self.pkg] += data elif self.mode == "install_status": if data == "END install status\n": self.mode = None return status = re.match(self.status_pattern, data) pkg_name = status.group(1) self.install_status[pkg_name] = status.group(2) == "OK" elif self.mode == "test": test_match = re.match(self.test_pattern, data) if test_match: begin_end = test_match.group(1) pkg_name = test_match.group(2) if begin_end == "END": _get_test_outputs('fastr', pkg_name, self.test_info) else: time_match = re.match(self.time_pattern, data) if time_match: pkg_name = time_match.group(1) test_time = time_match.group(2) with open(join(_pkg_testdir('fastr', pkg_name), 'test_time'), 'w') as f: f.write(test_time) env = os.environ.copy() env["TMPDIR"] = fastr_install_tmp env['R_LIBS_USER'] = fastr_libinstall env['FASTR_OPTION_PrintErrorStacktracesToFile'] = 'false' env['FASTR_OPTION_PrintErrorStacktraces'] = 'true' out = OutputCapture() # install and test the packages, unless just listing versions if not '--list-versions' in install_args: install_args += ['--run-tests'] install_args += ['--testdir', 'test.fastr'] if not '--print-install-status' in install_args: install_args += ['--print-install-status'] # If '--cache-pkgs' is set, then also set the native API version value _set_pkg_cache_api_version(install_args, _fastr_include_path()) _log_step('BEGIN', 'install/test', 'FastR') # Currently installpkgs does not set a return code (in install.packages.R) rc = _installpkgs(install_args, nonZeroIsFatal=False, env=env, out=out, err=out) if rc == 100: # fatal error connecting to package repo mx.abort(rc) rc = 0 for status in out.install_status.itervalues(): if not status: rc = 1 _log_step('END', 'install/test', 'FastR') single_pkg = len(out.install_status) == 1 install_failure = single_pkg and rc == 1 if '--run-tests' in install_args and not install_failure: # in order to compare the test output with GnuR we have to install/test the same # set of packages with GnuR ok_pkgs = [k for k, v in out.install_status.iteritems() if v] gnur_args = _args_to_forward_to_gnur(args) # If '--cache-pkgs' is set, then also set the native API version value _set_pkg_cache_api_version(gnur_args, _gnur_include_path()) _gnur_install_test(gnur_args, ok_pkgs, gnur_libinstall, gnur_install_tmp) _set_test_status(out.test_info) print 'Test Status' for pkg, test_status in out.test_info.iteritems(): if test_status.status != "OK": rc = rc | 2 print '{0}: {1}'.format(pkg, test_status.status) diffdir = _create_testdot('diffs') for pkg, _ in out.test_info.iteritems(): diff_file = join(diffdir, pkg) subprocess.call(['diff', '-r', _pkg_testdir('fastr', pkg), _pkg_testdir('gnur', pkg)], stdout=open(diff_file, 'w')) shutil.rmtree(fastr_install_tmp, ignore_errors=True) return rc def _set_pkg_cache_api_version(arg_list, include_dir): ''' Looks for argument '--cache-pkgs' and appends the native API version to the value list of this argument. ''' if "--cache-pkgs" in arg_list: pkg_cache_values_idx = arg_list.index("--cache-pkgs") + 1 if pkg_cache_values_idx < len(arg_list): arg_list[pkg_cache_values_idx] = arg_list[pkg_cache_values_idx] + ",version={0}".format(computeApiChecksum(include_dir)) class TestFileStatus: ''' Records the status of a test file. status is either "OK" or "FAILED". The latter means that the file had a .fail extension. ''' def __init__(self, status, abspath): self.status = status self.abspath = abspath class TestStatus: '''Records the test status of a package. status ends up as either "OK" or "FAILED", unless GnuR also failed in which case it stays as UNKNOWN. The testfile_outputs dict is keyed by the relative path of the output file to the 'test/pkgname' directory. The value is an instance of TestFileStatus. ''' def __init__(self): self.status = "UNKNOWN" self.testfile_outputs = dict() def _pkg_testdir(rvm, pkg_name): return join(_fastr_suite_dir(), 'test.' + rvm, pkg_name) def _get_test_outputs(rvm, pkg_name, test_info): pkg_testdir = _pkg_testdir(rvm, pkg_name) for root, _, files in os.walk(pkg_testdir): if not test_info.has_key(pkg_name): test_info[pkg_name] = TestStatus() for f in files: ext = os.path.splitext(f)[1] # suppress .pdf's for now (we can't compare them) # ignore = ['.R', '.Rin', '.prev', '.bug', '.pdf', '.save'] # if f == 'test_time' or ext in ignore: # continue included = ['.Rout', '.fail'] if f == 'test_time' or not ext in included: continue status = "OK" if ext == '.fail': # some fatal error during the test status = "FAILED" f = os.path.splitext(f)[0] absfile = join(root, f) relfile = relpath(absfile, pkg_testdir) test_info[pkg_name].testfile_outputs[relfile] = TestFileStatus(status, absfile) def _args_to_forward_to_gnur(args): forwarded_args = ['--repos', '--run-mode', '--cache-pkgs'] result = [] i = 0 while i < len(args): arg = args[i] if arg in forwarded_args: result.append(arg) i = i + 1 result.append(args[i]) i = i + 1 return result def _gnur_install_test(forwarded_args, pkgs, gnur_libinstall, gnur_install_tmp): ''' Install/test with GNU R exactly those packages that installed correctly with FastR. N.B. That means that regardless of how the packages were specified to pkgtest we always use a --pkg-filelist' arg to GNU R ''' gnur_packages = join(_fastr_suite_dir(), 'gnur.packages') with open(gnur_packages, 'w') as f: for pkg in pkgs: f.write(pkg) f.write('\n') env = os.environ.copy() env["TMPDIR"] = gnur_install_tmp env['R_LIBS_USER'] = gnur_libinstall env["TZDIR"] = "/usr/share/zoneinfo/" args = [] if _graalvm(): args += [_gnur_rscript()] # forward any explicit args to pkgtest args += [_installpkgs_script()] args += forwarded_args args += ['--pkg-filelist', gnur_packages] args += ['--run-tests'] args += ['--ignore-blacklist'] args += ['--testdir', 'test.gnur'] _log_step('BEGIN', 'install/test', 'GnuR') if _graalvm(): _ensure_R_on_PATH(env, os.path.dirname(_gnur_rscript())) mx.run(args, nonZeroIsFatal=False, env=env) else: _ensure_R_on_PATH(env, mx_fastr._gnur_path()) mx_fastr.gnu_rscript(args, env=env) _log_step('END', 'install/test', 'GnuR') def _set_test_status(fastr_test_info): def _failed_outputs(outputs): ''' return True iff outputs has any .fail files ''' for _, testfile_status in outputs.iteritems(): if testfile_status.status == "FAILED": return True return False gnur_test_info = dict() for pkg, _ in fastr_test_info.iteritems(): _get_test_outputs('gnur', pkg, gnur_test_info) # gnur is definitive so drive off that for pkg in gnur_test_info.keys(): print 'BEGIN checking ' + pkg gnur_test_status = gnur_test_info[pkg] fastr_test_status = fastr_test_info[pkg] gnur_outputs = gnur_test_status.testfile_outputs fastr_outputs = fastr_test_status.testfile_outputs if _failed_outputs(gnur_outputs): # What this likely means is that some native package is not # installed on the system so GNUR can't run the tests. # Ideally this never happens. print "{0}: GnuR test had .fail outputs".format(pkg) if _failed_outputs(fastr_outputs): # In addition to the similar comment for GNU R, this can happen # if, say, the JVM crashes (possible with native code packages) print "{0}: FastR test had .fail outputs".format(pkg) fastr_test_status.status = "FAILED" # Now for each successful GNU R output we compare content (assuming FastR didn't fail) for gnur_test_output_relpath, gnur_testfile_status in gnur_outputs.iteritems(): # Can't compare if either GNUR or FastR failed if gnur_testfile_status.status == "FAILED": fastr_test_status.status = "INDETERMINATE" break if not gnur_test_output_relpath in fastr_outputs: # FastR crashed on this test fastr_test_status.status = "FAILED" print "{0}: FastR is missing output file: {1}".format(pkg, gnur_test_output_relpath) break fastr_testfile_status = fastr_outputs[gnur_test_output_relpath] if fastr_testfile_status.status == "FAILED": break gnur_content = None with open(gnur_testfile_status.abspath) as f: gnur_content = f.readlines() fastr_content = None with open(fastr_testfile_status.abspath) as f: fastr_content = f.readlines() result = _fuzzy_compare(gnur_content, fastr_content, gnur_testfile_status.abspath, fastr_testfile_status.abspath) if result == -1: print "{0}: content malformed: {1}".format(pkg, gnur_test_output_relpath) fastr_test_status.status = "INDETERMINATE" break if result != 0: fastr_test_status.status = "FAILED" fastr_testfile_status.status = "FAILED" print "{0}: FastR output mismatch: {1}".format(pkg, gnur_test_output_relpath) break # we started out as UNKNOWN if not (fastr_test_status.status == "INDETERMINATE" or fastr_test_status.status == "FAILED"): fastr_test_status.status = "OK" # write out a file with the test status for each output (that exists) with open(join(_pkg_testdir('fastr', pkg), 'testfile_status'), 'w') as f: for fastr_relpath, fastr_testfile_status in fastr_outputs.iteritems(): if fastr_testfile_status.status == "FAILED": relpath = fastr_relpath + ".fail" else: relpath = fastr_relpath if os.path.exists(join(_pkg_testdir('fastr', pkg), relpath)): f.write(relpath) f.write(' ') f.write(fastr_testfile_status.status) f.write('\n') print 'END checking ' + pkg def _find_start(content): marker = "Type 'q()' to quit R." for i in range(len(content)): line = content[i] if marker in line: # skip blank lines j = i + 1 while j < len(content): line = content[j].strip() if len(line) > 0: return j j = j + 1 return None def _find_end(content): marker = "Time elapsed:" for i in range(len(content)): line = content[i] if marker in line: return i - 1 # not all files have a Time elapsed: return len(content) - 1 def _find_line(gnur_line, fastr_content, fastr_i): ''' Search forward in fastr_content from fastr_i searching for a match with gnur_line. Do not match empty lines! ''' if gnur_line == '\n': return -1 while fastr_i < len(fastr_content): fastr_line = fastr_content[fastr_i] if fastr_line == gnur_line: return fastr_i fastr_i = fastr_i + 1 return -1 def _replace_engine_references(output): for idx, val in enumerate(output): if "RUNIT TEST PROTOCOL -- " in val: # RUnit prints the current date and time output[idx] = "RUNIT TEST PROTOCOL -- <date/time>" else: # ignore differences which come from test directory paths output[idx] = val.replace('fastr', '<engine>').replace('gnur', '<engine>') def _fuzzy_compare(gnur_content, fastr_content, gnur_filename, fastr_filename): _replace_engine_references(gnur_content) _replace_engine_references(fastr_content) gnur_start = _find_start(gnur_content) gnur_end = _find_end(gnur_content) fastr_start = _find_start(fastr_content) fastr_len = len(fastr_content) if not gnur_start or not gnur_end or not fastr_start: return -1 gnur_i = gnur_start fastr_i = fastr_start result = 0 while gnur_i < gnur_end: gnur_line = gnur_content[gnur_i] if fastr_i >= fastr_len: result = 1 break fastr_line = fastr_content[fastr_i] if gnur_line != fastr_line: if fastr_line.startswith('Warning') and 'FastR does not support graphics package' in fastr_content[fastr_i + 1]: # ignore warning about FastR not supporting the graphics package fastr_i = fastr_i + 2 if fastr_content[fastr_i].startswith('NULL') and not gnur_line.startswith('NULL'): # ignore additional visible NULL fastr_i = fastr_i + 1 continue if gnur_line.startswith('Warning') and gnur_i + 1 < gnur_end and 'closing unused connection' in gnur_content[gnur_i + 1]: # ignore message about closed connection gnur_i = gnur_i + 2 continue if gnur_i > 0 and gnur_content[gnur_i - 1].startswith(' user system elapsed'): # ignore differences in timing gnur_i = gnur_i + 1 fastr_i = fastr_i + 1 continue # we are fuzzy on Error/Warning as FastR often differs # in the context/format of the error/warniong message AND GnuR is sometimes # inconsistent over which error message it uses. Unlike the unit test environment, # we cannot tag tests in any way, so we simply check that FastR does report # an error. We then scan forward to try to get the files back in sync, as the # the number of error/warning lines may differ. if 'Error' in gnur_line or 'Warning' in gnur_line: to_match = 'Error' if 'Error' in gnur_line else 'Warning' if to_match not in fastr_line: result = 1 break else: # skip until lines match (or not) gnur_i = gnur_i + 1 fastr_i = fastr_i + 1 if gnur_i == gnur_end - 1: # at end (there is always a blank line) break ni = -1 while gnur_i < gnur_end: ni = _find_line(gnur_content[gnur_i], fastr_content, fastr_i) if ni > 0: break gnur_i = gnur_i + 1 if ni > 0: fastr_i = ni continue else: result = 1 break else: # genuine difference (modulo whitespace) if not _ignore_whitespace(gnur_line, fastr_line): result = 1 break gnur_i = gnur_i + 1 fastr_i = fastr_i + 1 if result == 1: print gnur_filename + ':%d' % gnur_i + ' vs. ' + fastr_filename + ':%d' % fastr_i print gnur_line.strip() print "vs." print fastr_line.strip() return result def _ignore_whitespace(gnur_line, fastr_line): return gnur_line.translate(None, ' \t') == fastr_line.translate(None, ' \t') def pkgtest_cmp(args): with open(args[0]) as f: gnur_content = f.readlines() with open(args[1]) as f: fastr_content = f.readlines() return _fuzzy_compare(gnur_content, fastr_content, args[0], args[1]) def find_top100(args): libinstall = join(_fastr_suite_dir(), "top100.tmp") if not os.path.exists(libinstall): os.mkdir(libinstall) os.environ['R_LIBS_USER'] = libinstall _installpkgs(['--find-top100', '--use-installed-pkgs']) def remove_dup_pkgs(args): pkgs = args[0].split(",") x = dict() for p in pkgs: x[p] = 1 result = [] for p in x.iterkeys(): result += p return result def computeApiChecksum(includeDir): ''' Computes a checksum of the header files found in the provided directory (recursively). The result is a SHA256 checksum (as string with hex digits) of all header files. ''' m = hashlib.sha256() rootDir = includeDir for root, _, files in os.walk(rootDir): mx.logvv("Visiting directory {0}".format(root)) for f in files: fileName = join(root, f) if fileName.endswith('.h'): try: mx.logvv("Including file {0}".format(fileName)) with open(fileName) as f: m.update(f.read()) except IOError as e: # Ignore errors on broken symlinks if not os.path.islink(fileName) or os.path.exists(fileName): raise e hxdigest = m.hexdigest() mx.logv("Computed API version checksum {0}".format(hxdigest)) return hxdigest
akunft/fastr
mx.fastr/mx_fastr_pkgs.py
Python
gpl-2.0
26,188
[ "VisIt" ]
4c427e655baae0552590defc4916c40af4a36685aa2ae7713be720127c0e32be
# # Copyright (C) 2004-2008 greg Landrum and Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # from __future__ import print_function import doctest import gzip import io import os import unittest from rdkit import Chem from rdkit import DistanceGeometry as DG from rdkit import Geometry from rdkit import RDConfig from rdkit.Chem import ChemicalFeatures, rdDistGeom from rdkit.Chem.Pharm3D import EmbedLib from rdkit.Chem.Pharm3D import Pharmacophore from rdkit.six import PY3 from rdkit.six.moves import cPickle def feq(n1, n2, tol=1e-5): return abs(n1 - n2) <= tol def load_tests(loader, tests, ignore): """ Add the Doctests from the module """ tests.addTests( doctest.DocTestSuite(EmbedLib, optionflags=doctest.ELLIPSIS + doctest.NORMALIZE_WHITESPACE)) return tests class TestCase(unittest.TestCase): def setUp(self): self.dataDir = os.path.join(RDConfig.RDCodeDir, 'Chem/Pharm3D/test_data') self.fdefBlock = """ DefineFeature HAcceptor1 [N,O;H0] Family HBondAcceptor Weights 1.0 EndFeature DefineFeature HDonor1 [N,O;!H0] Family HBondDonor Weights 1.0 EndFeature DefineFeature Aromatic1 c1ccccc1 Family Aromatic Weights 1.,1.,1.,1.,1.,1. EndFeature\n""" self.featFactory = ChemicalFeatures.BuildFeatureFactoryFromString(self.fdefBlock) self.feats = [ChemicalFeatures.FreeChemicalFeature('HBondAcceptor', 'HAcceptor1', Geometry.Point3D(0.0, 0.0, 0.0)), ChemicalFeatures.FreeChemicalFeature('HBondDonor', 'HDonor1', Geometry.Point3D(2.65, 0.0, 0.0)), ChemicalFeatures.FreeChemicalFeature('Aromatic', 'Aromatic1', Geometry.Point3D(5.12, 0.908, 0.0)), ] self.pcophore = Pharmacophore.Pharmacophore(self.feats) self.pcophore.setLowerBound(0, 1, 2.0) self.pcophore.setUpperBound(0, 1, 3.3) self.pcophore.setLowerBound(0, 2, 5.0) self.pcophore.setUpperBound(0, 2, 5.4) self.pcophore.setLowerBound(1, 2, 2.6) self.pcophore.setUpperBound(1, 2, 3.0) def _matchMol(self, tpl, pcophore, featFactory, downSample): _, molPkl, boundsMat = tpl mol = Chem.Mol(molPkl) matched, matches = EmbedLib.MatchPharmacophoreToMol(mol, featFactory, pcophore) if matched: r = EmbedLib.MatchPharmacophore(matches, boundsMat, pcophore, useDownsampling=downSample) if r[0]: return 0 else: return 1 else: return 0 def test1SearchFullMat(self): inF = gzip.open(os.path.join(self.dataDir, 'cdk2-syn-clip100.pkl.gz'), 'rb') # outF = gzip.open(os.path.join(self.dataDir,'cdk2-syn-clip100.pkl.new.gz'),'wb+') nDone = 0 nHits = 0 while 1: try: tpl = cPickle.load(inF, encoding='latin1') if PY3: tpl = tpl[0], tpl[1].encode('latin1'), tpl[2] # tpl=tpl[0],tpl[1],numpy.array(tpl[2]) # cPickle.dump(tpl,outF) except Exception: break if self._matchMol(tpl, self.pcophore, self.featFactory, 0): nHits += 1 nDone += 1 self.assertEqual(nDone, 100) # print 'nHits:',nHits self.assertEqual(nHits, 47) def test2SearchDownsample(self): inF = gzip.open(os.path.join(self.dataDir, 'cdk2-syn-clip100.pkl.gz'), 'rb') nDone = 0 nHits = 0 while 1: try: tpl = cPickle.load(inF, encoding='latin1') if PY3: tpl = tpl[0], tpl[1].encode('latin1'), tpl[2] except Exception: break if self._matchMol(tpl, self.pcophore, self.featFactory, 1): nHits += 1 nDone += 1 self.assertEqual(nDone, 100) # print 'nHits:',nHits self.assertEqual(nHits, 47) def test3Embed(self): testResults = { 'mol_197': (218.80, 35.75, 110.33, 11.58, 109.66, 11.09, 90.35, 2.95, 0.00), 'mol_223': (259.19, 6.27, 134.13, 1.12, 134.06, 1.12, 85.74, 0.61, 0.00), 'mol_269': (204.51, 7.89, 103.89, 1.20, 102.66, 1.20, 88.07, 1.21, 6.00), } inF = gzip.open(os.path.join(self.dataDir, 'cdk2-syn-clip100.pkl.gz'), 'rb') nDone = 0 nHits = 0 while 1: try: name, molPkl, _ = cPickle.load(inF, encoding='latin1') if PY3: molPkl = bytes(molPkl, encoding='latin1') except Exception: break nDone += 1 mol = Chem.Mol(molPkl) nboundsMat = rdDistGeom.GetMoleculeBoundsMatrix(mol) DG.DoTriangleSmoothing(nboundsMat) matched, matches = EmbedLib.MatchPharmacophoreToMol(mol, self.featFactory, self.pcophore) if matched: failed, _, match, stats = EmbedLib.MatchPharmacophore(matches, nboundsMat, self.pcophore, useDownsampling=1) if not failed: nHits += 1 if name in testResults: stats = EmbedLib.EmbedOne(mol, name, match, self.pcophore, count=10, silent=1, randomSeed=23) tgt = testResults[name] self.assertEqual(len(tgt), len(stats)) # print(name) # print(','.join(['%.2f' % x for x in stats])) # we'll use different tolerances for the different values: self.assertTrue(feq(tgt[0], stats[0], 5.0), (tgt[0], stats[0])) for i in range(2, len(tgt)): self.assertTrue(feq(tgt[i], stats[i], 5.0), (tgt[i], stats[i])) self.assertEqual(nDone, 100) # print 'nHits:',nHits self.assertEqual(nHits, 50) def test4Search(self): featFactory = ChemicalFeatures.BuildFeatureFactory( os.path.join(self.dataDir, 'BaseFeatures.fdef')) activeFeats = [ChemicalFeatures.FreeChemicalFeature('Acceptor', Geometry.Point3D(0.0, 0.0, 0.0)), ChemicalFeatures.FreeChemicalFeature('Donor', Geometry.Point3D(0.0, 0.0, 0.0)), ChemicalFeatures.FreeChemicalFeature('Aromatic', Geometry.Point3D(0.0, 0.0, 0.0))] pcophore = Pharmacophore.Pharmacophore(activeFeats) pcophore.setLowerBound(0, 1, 2.251) pcophore.setUpperBound(0, 1, 2.451) pcophore.setUpperBound2D(0, 1, 3) pcophore.setLowerBound(0, 2, 4.970) pcophore.setUpperBound(0, 2, 5.170) pcophore.setUpperBound2D(0, 2, 6) pcophore.setLowerBound(1, 2, 2.681) pcophore.setUpperBound(1, 2, 2.881) pcophore.setUpperBound2D(1, 2, 6) inF = gzip.open(os.path.join(self.dataDir, 'cdk2-syn-clip100.pkl.gz'), 'rb') nDone = 0 nMatches = 0 nHits = 0 while 1: try: _, molPkl, boundsMat = cPickle.load(inF, encoding='latin1') if PY3: molPkl = bytes(molPkl, encoding='latin1') except Exception: break nDone += 1 mol = Chem.Mol(molPkl) boundsMat = rdDistGeom.GetMoleculeBoundsMatrix(mol) DG.DoTriangleSmoothing(boundsMat) canMatch, matches = EmbedLib.MatchPharmacophoreToMol(mol, featFactory, pcophore) if canMatch: nMatches += 1 r = EmbedLib.MatchPharmacophore(matches, boundsMat, pcophore, useDownsampling=True, use2DLimits=True, mol=mol) failed = r[0] if not failed: nHits += 1 self.assertEqual(nDone, 100) self.assertEqual(nMatches, 93) # print 'nhits:',nHits self.assertEqual(nHits, 67) def testIssue268(self): featFactory = ChemicalFeatures.BuildFeatureFactory(os.path.join(self.dataDir, 'Issue268.fdef')) m1 = Chem.MolFromMolFile(os.path.join(self.dataDir, 'Issue268_Mol1.mol')) m2 = Chem.MolFromMolFile(os.path.join(self.dataDir, 'Issue268_Mol2.mol')) with open(os.path.join(self.dataDir, 'Issue268_Pcop.pkl'), 'r') as inTF: buf = inTF.read().replace('\r\n', '\n').encode('utf-8') inTF.close() with io.BytesIO(buf) as inF: pcop = cPickle.load(inF, encoding='latin1') # pcop._boundsMat=numpy.array(pcop._boundsMat) # pcop._boundsMat2D=numpy.array(pcop._boundsMat2D) # cPickle.dump(pcop,file(os.path.join(self.dataDir, # 'Issue268_Pcop.new.pkl'),'wb+')) _, mList1 = EmbedLib.MatchFeatsToMol(m1, featFactory, pcop.getFeatures()) _, mList2 = EmbedLib.MatchFeatsToMol(m2, featFactory, pcop.getFeatures()) b1 = rdDistGeom.GetMoleculeBoundsMatrix(m1) b2 = rdDistGeom.GetMoleculeBoundsMatrix(m2) self.assertEqual(len(EmbedLib.MatchPharmacophore(mList1, b1, pcop)[2]), 4) self.assertEqual(len(EmbedLib.MatchPharmacophore(mList2, b2, pcop)[2]), 4) self.assertEqual( len(EmbedLib.MatchPharmacophore(mList1, b1, pcop, mol=m1, use2DLimits=True)[2]), 4) self.assertEqual( len(EmbedLib.MatchPharmacophore(mList2, b2, pcop, mol=m2, use2DLimits=True)[2]), 4) self.assertTrue(DG.DoTriangleSmoothing(b1)) self.assertTrue(DG.DoTriangleSmoothing(b2)) self.assertEqual(len(EmbedLib.MatchPharmacophore(mList1, b1, pcop)[2]), 4) self.assertEqual(len(EmbedLib.MatchPharmacophore(mList2, b2, pcop)[2]), 4) self.assertEqual( len(EmbedLib.MatchPharmacophore(mList1, b1, pcop, mol=m1, use2DLimits=True)[2]), 4) self.assertEqual( len(EmbedLib.MatchPharmacophore(mList2, b2, pcop, mol=m2, use2DLimits=True)[2]), 4) if __name__ == '__main__': # pragma: nocover unittest.main()
rvianello/rdkit
rdkit/Chem/Pharm3D/UnitTestEmbed.py
Python
bsd-3-clause
9,826
[ "RDKit" ]
90dd8076cf3efc069c4c2770850debb6669612b6cee6557aa55cca39153147b3
# Python example script that uses the vtkMatlabEngineInterface to perform # a calculation (sin(x)^2 + cos(x)^2 = 1) on VTK array data, and pass the # result back to VTK. # VTK must be built with VTK_USE_MATLAB_MEX turned on for this example to work! from vtk import * import math if __name__ == "__main__": # Create an instance of the Matlab Engine. Note, menginterface is not a VTK pipeline object. menginterface = vtkMatlabEngineInterface() # Create two arrays of doubles in VTK. y contains sin(x)^2 x = vtkDoubleArray() y = vtkDoubleArray() for d in range(0, 100): x.InsertNextValue(d); y.InsertNextValue(math.sin(d)**2) # Copy the x and y to Matlab with the same variable names menginterface.PutVtkDataArray("x", x) menginterface.PutVtkDataArray("y", y) # Calculate cos(x)^2 + sin(x)^2 = 1 in Matlab. menginterface.EvalString("y = y + cos(x).^2") # Copy y back to VTK as variable result result = menginterface.GetVtkDataArray("y") # Display contents of result, should be all ones. print "\n\nContents of result array copied to VTK from Matlab\n\n" for i in range(result.GetNumberOfTuples()): t = result.GetTuple1(i) print'result[%d] = %6.4f' % (i,t)
b3c/VTK-5.8
Examples/Infovis/Python/Matlab_engine_interface.py
Python
bsd-3-clause
1,237
[ "VTK" ]
64c8b215118949a4474108ef8b6548d8cc78b8ba5968e4e3fe1ebfcf6857f9dc
from Firefly import logging from Firefly.helpers.conditions import Conditions from Firefly.helpers.events import Command from Firefly import scheduler class Action(object): def __init__(self, ff_id, command, source, conditions=None, force=False, **kwargs): self._ff_id = ff_id self._command = command self._source = source self._kwargs = kwargs self._force = force self._delay_s = kwargs.get('delay_s') self._delay_m = kwargs.get('delay_m') self._conditions = None if type(conditions) is Conditions: self._conditions = conditions if type(conditions) is dict: self._conditions = Conditions(**conditions) def execute_action(self, firefly): if self._delay_s: scheduler.runInS(self._delay_s,self.execute,firefly=firefly) elif self._delay_m: scheduler.runInM(self._delay_m,self.execute,firefly=firefly) else: self.execute(firefly) def execute(self, firefly): if self._force or self.conditions is None: command = Command(self.id, self.source, self.command, force=self._force, **self._kwargs) firefly.send_command(command) return True if self.conditions.check_conditions(firefly): command = Command(self.id, self.source, self.command, force=self._force, **self._kwargs) firefly.send_command(command) return True return False def export(self) -> dict: export_data = { 'ff_id': self.id, 'command': self.command, 'force': self._force, 'source': self.source } if self.conditions: export_data['conditions'] = self.conditions.export() export_data.update(**self._kwargs) return export_data @property def id(self): return self._ff_id @property def command(self): return self._command @property def source(self): return self._source @property def conditions(self): return self._conditions
Firefly-Automation/Firefly
Firefly/helpers/action.py
Python
apache-2.0
1,905
[ "Firefly" ]
4f1511a242314de410d81e9f2ef73b012c5b019e4930c67a30f48ec358b32ba1
import numpy as np #from numpy import mgrid, empty, sin, pi import vtk def simple_grid(): # Generate some points. x, y, z = np.mgrid[1:6:11j, 0:4:13j, 0:3:6j] base = x[..., 0] + y[..., 0] # Some interesting z values. for i in range(z.shape[2]): z[..., i] = base * 0.25 * i return x, y, z def uniform_grid(bounds, dims): # Generate some points. x, y, z = np.mgrid[bounds[0]:bounds[1]:(dims[0] * 1j), bounds[2]:bounds[3]:(dims[1] * 1j), bounds[4]:bounds[5]:(dims[2] * 1j) ] base = x[..., 0] + y[..., 0] # Some interesting z values. # for i in range(z.shape[2]): # z[..., i] = base * 0.25 * i return x, y, z def reshape_pts(x,y,z): # The actual points. pts = np.empty(z.shape + (3,), dtype=float) pts[..., 0] = x pts[..., 1] = y pts[..., 2] = z # We reorder the points, scalars and vectors so this is as per VTK's # requirement of x first, y next and z last. pts = pts.transpose(2, 1, 0, 3).copy() pts.shape = pts.size // 3, 3 return pts def gen_data(x,y,z): # Simple scalars. scalars = x * x + y * y + z * z # Some vectors vectors = np.empty(z.shape + (3,), dtype=float) vectors[..., 0] = (4 - y * 2) vectors[..., 1] = (x * 3 - 12) vectors[..., 2] = np.sin(z * np.pi) scalars = scalars.T.copy() vectors = vectors.transpose(2, 1, 0, 3).copy() vectors.shape = vectors.size // 3, 3 return scalars, vectors # def uniform_grid(x,y,z): # # The actual points. # pts = np.empty(z.shape + (3,), dtype=float) # pts[..., 0] = x # pts[..., 1] = y # pts[..., 2] = z # # Simple scalars. # scalars = x * x + y * y + z * z # # Some vectors # vectors = np.empty(z.shape + (3,), dtype=float) # vectors[..., 0] = (4 - y * 2) # vectors[..., 1] = (x * 3 - 12) # vectors[..., 2] = np.sin(z * np.pi) # # We reorder the points, scalars and vectors so this is as per VTK's # # requirement of x first, y next and z last. # pts = pts.transpose(2, 1, 0, 3).copy() # #print(pts.shape) # pts.shape = pts.size // 3, 3 # scalars = scalars.T.copy() # vectors = vectors.transpose(2, 1, 0, 3).copy() # print(vectors.shape) # vectors.shape = vectors.size // 3, 3 # print(vectors.shape) # return pts, scalars, vectors def test_simple_grid(): x,y,z = simple_grid() pts = reshape_pts(x,y,z) scalars, vectors = gen_data(x,y,z) print(pts.shape, scalars.shape, vectors.shape) vtk_pts = vtk.vtkPoints() for pt in pts: #print(pt) vtk_pts.InsertNextPoint(pt) # Uncomment the following if you want to add some noise to the data. #pts += np.random.randn(dims[0]*dims[1]*dims[2], 3)*0.04 sgrid = vtk.vtkStructuredGrid() sgrid.SetDimensions(x.shape) sgrid.SetPoints(vtk_pts) scalar_arr = vtk.vtkDoubleArray() scalar_arr.SetNumberOfComponents(1) scalar_arr.SetName("distance") vec_arr = vtk.vtkDoubleArray() vec_arr.SetNumberOfComponents(3) vec_arr.SetName("vector") #s = np.sqrt(pts[:,0]**2 + pts[:,1]**2 + pts[:,2]**2) for idx, s_ in enumerate(scalars.ravel()): scalar_arr.InsertNextTuple([s_]) vec_arr.InsertNextTuple(vectors[idx]) #print(s.shape) sgrid.GetPointData().AddArray(scalar_arr) sgrid.GetPointData().AddArray(vec_arr) # sgrid.point_data.scalars.name = 'scalars' # Uncomment the next two lines to save the dataset to a VTK XML file. writer = vtk.vtkXMLStructuredGridWriter() writer.SetFileName("test_2.vts") writer.SetInputData(sgrid) writer.Write() print("success") def test_uniform_grid(): bounds = [-10., 20., 20., 40., 0., 60.] dims = (37, 23, 65) x,y,z = uniform_grid(bounds, dims) pts = reshape_pts(x,y,z) scalars, vectors = gen_data(x,y,z) #print(pts.shape, scalars.shape, vectors.shape) vtk_pts = vtk.vtkPoints() for pt in pts: #print(pt) vtk_pts.InsertNextPoint(pt) # Uncomment the following if you want to add some noise to the data. #pts += np.random.randn(dims[0]*dims[1]*dims[2], 3)*0.04 sgrid = vtk.vtkStructuredGrid() sgrid.SetDimensions(x.shape) sgrid.SetPoints(vtk_pts) scalar_arr = vtk.vtkDoubleArray() scalar_arr.SetNumberOfComponents(1) scalar_arr.SetName("distance") vec_arr = vtk.vtkDoubleArray() vec_arr.SetNumberOfComponents(3) vec_arr.SetName("vector") for idx, s_ in enumerate(scalars.ravel()): scalar_arr.InsertNextTuple([s_]) vec_arr.InsertNextTuple(vectors[idx]) #print(s.shape) sgrid.GetPointData().AddArray(scalar_arr) sgrid.GetPointData().AddArray(vec_arr) centers = vtk.vtkCellCenters() centers.SetInputData(sgrid) centers.VertexCellsOn() centers.Update() # sgrid.point_data.scalars.name = 'scalars' # Uncomment the next two lines to save the dataset to a VTK XML file. writer = vtk.vtkXMLStructuredGridWriter() writer.SetFileName("test_uniform.vts") writer.SetInputData(sgrid) writer.Write() writer2 = vtk.vtkXMLPolyDataWriter() writer2.SetFileName("test_uniform_centers.vtp") writer2.SetInputConnection(centers.GetOutputPort()) writer2.Write() print("success") def main(): test_simple_grid() test_uniform_grid() if __name__ == '__main__': main()
kayarre/Tools
vtk/simple_grid.py
Python
bsd-2-clause
5,131
[ "VTK" ]
b68362caa2f36368f5c8ed8c6f63f9821c2f843b7d813bcd663a5c0f5ffeaa62
#!/bin/env python """ create rst files for documentation of DIRAC """ import os import shutil import socket import sys import logging import glob logging.basicConfig(level=logging.INFO, format='%(name)s: %(levelname)8s: %(message)s') LOG = logging.getLogger('MakeDoc') def mkdir(folder): """create a folder, ignore if it exists""" try: folder = os.path.join(os.getcwd(), folder) os.mkdir(folder) except OSError as e: LOG.debug("Exception when creating folder %s: %r", folder, e) def writeLinesToFile(filename, lines): """Write a list of lines into a file. Checks that there are actual changes to be done. """ newContent = '\n'.join(lines) oldContent = None if os.path.exists(filename): with open(filename, 'r') as oldFile: oldContent = ''.join(oldFile.readlines()) if oldContent is None or oldContent != newContent: with open(filename, 'w') as rst: LOG.info('Writing new content for %s', filename) rst.write(newContent) else: LOG.debug('Not updating file content for %s', filename) BASEPATH = "docs/source/CodeDocumentation" DIRACPATH = os.environ.get("DIRAC", "") + "/DIRAC" ORIGDIR = os.getcwd() BASEPATH = os.path.join(DIRACPATH, BASEPATH) # files that call parseCommandLine or similar issues BAD_FILES = ("lfc_dfc_copy", "lfc_dfc_db_copy", "JobWrapperTemplate", "PlotCache", # PlotCache creates a thread on import, which keeps sphinx from exiting "PlottingHandler", "setup.py", # configuration for style check # "DataStoreClient", # instantiates itself # "ReportsClient", ## causes gDataCache to start # "ComponentInstaller", # tries to connect to a DB # "ProxyDB", # tries to connect to security log server # "SystemAdministratorHandler", # tries to connect to monitoring # "GlobusComputingElement", # tries to connect to a DB # "HTCondorCEComputingElememt", # tries to connect to a DB # "TaskManager", #Tries to connect to security logging ) FORCE_ADD_PRIVATE = ["FCConditionParser"] # inherited functions give warnings in docstrings NO_INHERITED = [] # global used inside the CustomizedDocs modules CUSTOMIZED_DOCSTRINGS = {} def getCustomDocs(): """Import the dynamically created docstrings from the files in CustomizedDocs. Use 'exec' to avoid a lot of relative import, pylint errors, etc. """ customizedPath = os.path.join(BASEPATH, '../../Tools/CustomizedDocs/*.py') LOG.info('Looking for custom strings in %s', customizedPath) for filename in glob.glob(customizedPath): LOG.info('Found customization: %s', filename) exec(open(filename).read(), globals()) # pylint: disable=exec-used def mkRest(filename, modulename, fullmodulename, subpackages=None, modules=None): """make a rst file for filename""" if modulename == "scripts": return else: modulefinal = modulename lines = [] lines.append("%s" % modulefinal) lines.append("=" * len(modulefinal)) lines.append(".. module:: %s " % fullmodulename) lines.append("") if subpackages or modules: lines.append(".. toctree::") lines.append(" :maxdepth: 1") lines.append("") subpackages = [s for s in subpackages if not s.endswith(("scripts", ))] if subpackages: LOG.info("Module %s with subpackages: %s", fullmodulename, ", ".join(subpackages)) lines.append("SubPackages") lines.append("...........") lines.append("") lines.append(".. toctree::") lines.append(" :maxdepth: 1") lines.append("") for package in sorted(subpackages): lines.append(" %s/%s_Module.rst" % (package, package.split("/")[-1])) #lines.append(" %s " % (package, ) ) lines.append("") # remove CLI etc. because we drop them earlier modules = [m for m in modules if not m.endswith("CLI") and "-" not in m] if modules: lines.append("Modules") lines.append(".......") lines.append("") lines.append(".. toctree::") lines.append(" :maxdepth: 1") lines.append("") for module in sorted(modules): lines.append(" %s.rst" % (module.split("/")[-1],)) #lines.append(" %s " % (package, ) ) lines.append("") writeLinesToFile(filename, lines) def mkDummyRest(classname, fullclassname): """ create a dummy rst file for files that behave badly """ filename = classname + ".rst" lines = [] lines.append("%s" % classname) lines.append("=" * len(classname)) lines.append("") lines.append(" This is an empty file, because we cannot parse this file correctly or it causes problems") lines.append(" , please look at the source code directly") writeLinesToFile(filename, lines) def mkModuleRest(classname, fullclassname, buildtype="full"): """ create rst file for class""" filename = classname + ".rst" lines = [] lines.append("%s" % classname) lines.append("=" * len(classname)) # if "-" not in classname: # lines.append(".. autosummary::" ) # lines.append(" :toctree: %sGen" % classname ) # lines.append("") # lines.append(" %s " % fullclassname ) # lines.append("") lines.append(".. automodule:: %s" % fullclassname) if buildtype == "full": lines.append(" :members:") if classname not in NO_INHERITED: lines.append(" :inherited-members:") lines.append(" :undoc-members:") lines.append(" :show-inheritance:") if classname in FORCE_ADD_PRIVATE: lines.append(" :special-members:") lines.append(" :private-members:") else: lines.append(" :special-members: __init__") if classname.startswith("_"): lines.append(" :private-members:") if fullclassname in CUSTOMIZED_DOCSTRINGS: ds = CUSTOMIZED_DOCSTRINGS[fullclassname] if ds.replace: lines = ds.doc_string else: lines.append(ds.doc_string) writeLinesToFile(filename, lines) def getsubpackages(abspath, direc): """return list of subpackages with full path""" packages = [] for dire in direc: if dire.lower() == "test" or dire.lower() == "tests" or "/test" in dire.lower(): LOG.debug("Skipping test directory: %s/%s", abspath, dire) continue if dire.lower() == 'docs' or '/docs' in dire.lower(): LOG.debug('Skipping docs directory: %s/%s', abspath, dire) continue if os.path.exists(os.path.join(DIRACPATH, abspath, dire, "__init__.py")): packages.append(os.path.join(dire)) return packages def getmodules(abspath, direc, files): """return list of subpackages with full path""" packages = [] for filename in files: if filename.lower().startswith('test') or filename.lower().endswith('test'): LOG.debug("Skipping test file: %s/%s", abspath, filename) continue if 'test' in filename.lower(): LOG.warn("File contains 'test', but is kept: %s/%s", abspath, filename) if filename != "__init__.py": packages.append(filename.split(".py")[0]) return packages def createDoc(buildtype="full"): """create the rst files for all the things we want them for""" LOG.info("DIRACPATH: %s", DIRACPATH) LOG.info("BASEPATH: %s", BASEPATH) LOG.info("Host: %s", socket.gethostname()) # we need to replace existing rst files so we can decide how much code-doc to create if os.path.exists(BASEPATH) and os.environ.get('READTHEDOCS', 'False') == 'True': shutil.rmtree(BASEPATH) mkdir(BASEPATH) os.chdir(BASEPATH) getCustomDocs() LOG.info("Now creating rst files") for root, direc, files in os.walk(DIRACPATH): configTemplate = [os.path.join(root, _) for _ in files if _ == 'ConfigTemplate.cfg'] files = [_ for _ in files if _.endswith(".py")] if "__init__.py" not in files: continue elif any(f.lower() in root.lower() for f in ("/test", "scripts", 'docs/Tools', )): LOG.debug('Skipping test, docs, or script folder: %s', root) continue modulename = root.split("/")[-1] abspath = root.split(DIRACPATH)[1].strip("/") fullmodulename = 'DIRAC.' + '.'.join(abspath.split('/')) packages = getsubpackages(abspath, direc) LOG.debug("Trying to create folder: %s", abspath) if abspath: mkdir(abspath) os.chdir(abspath) if modulename == "DIRAC": createCodeDocIndex( subpackages=packages, modules=getmodules( abspath, direc, files), buildtype=buildtype) elif buildtype == "limited": os.chdir(BASEPATH) return 0 else: mkRest( modulename + "_Module.rst", modulename, fullmodulename, subpackages=packages, modules=getmodules( abspath, direc, files)) for filename in files: # Skip things that call parseCommandLine or similar issues fullclassname = ".".join(abspath.split("/") + [filename]) if any(f in filename for f in BAD_FILES): mkDummyRest(filename.split(".py")[0], fullclassname.split(".py")[0]) continue elif not filename.endswith(".py") or \ filename.endswith("CLI.py") or \ filename.lower().startswith("test") or \ filename == "__init__.py" or \ "-" in filename: # not valid python identifier, e.g. dirac-pilot continue if not fullclassname.startswith("DIRAC."): fullclassname = "DIRAC." + fullclassname # Remove some FrameworkServices because things go weird mkModuleRest(filename.split(".py")[0], fullclassname.split(".py")[0], buildtype) if configTemplate: shutil.copy(configTemplate[0], os.path.join(BASEPATH, abspath)) os.chdir(BASEPATH) shutil.copy(os.path.join(DIRACPATH, 'dirac.cfg'), BASEPATH) return 0 def createCodeDocIndex(subpackages, modules, buildtype="full"): """create the main index file""" filename = "index.rst" lines = [] lines.append(".. _code_documentation:") lines.append("") lines.append("Code Documentation (|release|)") lines.append("------------------------------") # for limited builds we only create the most basic code documentation so # we let users know there is more elsewhere if buildtype == "limited": lines.append("") lines.append(".. warning::") lines.append( " This a limited build of the code documentation, for the full code documentation please look at the website") lines.append("") else: if subpackages or modules: lines.append(".. toctree::") lines.append(" :maxdepth: 1") lines.append("") if subpackages: systemPackages = sorted([pck for pck in subpackages if pck.endswith("System")]) otherPackages = sorted([pck for pck in subpackages if not pck.endswith("System")]) lines.append("=======") lines.append("Systems") lines.append("=======") lines.append("") lines.append(".. toctree::") lines.append(" :maxdepth: 1") lines.append("") for package in systemPackages: lines.append(" %s/%s_Module.rst" % (package, package.split("/")[-1])) lines.append("") lines.append("=====") lines.append("Other") lines.append("=====") lines.append("") lines.append(".. toctree::") lines.append(" :maxdepth: 1") lines.append("") for package in otherPackages: lines.append(" %s/%s_Module.rst" % (package, package.split("/")[-1])) if modules: for module in sorted(modules): lines.append(" %s.rst" % (module.split("/")[-1],)) #lines.append(" %s " % (package, ) ) writeLinesToFile(filename, lines) def checkBuildTypeAndRun(): """ check for input argument and then create the doc rst files """ buildtypes = ("full", "limited") buildtype = "full" if len(sys.argv) <= 1 else sys.argv[1] if buildtype not in buildtypes: LOG.error("Unknown build type: %s use %s ", buildtype, " ".join(buildtypes)) return 1 LOG.info("buildtype: %s", buildtype) exit(createDoc(buildtype)) if __name__ == "__main__": # get the options if '-ddd' in ''.join(sys.argv): LOG.setLevel(logging.DEBUG) SUPER_DEBUG = True if '-dd' in ''.join(sys.argv): LOG.setLevel(logging.DEBUG) SUPER_DEBUG = False exit(checkBuildTypeAndRun())
petricm/DIRAC
docs/Tools/MakeDoc.py
Python
gpl-3.0
12,409
[ "DIRAC" ]
13432f16299c12c67cc31314fd5e4ec83112509ab6b8dce7917e805fe3f55fe7
import numpy as np from ase.data import atomic_numbers from gpaw.utilities import pack2 from gpaw.utilities.tools import md5_new from gpaw.atom.radialgd import AERadialGridDescriptor from gpaw.atom.atompaw import AtomPAW from gpaw.atom.configurations import configurations from gpaw.basis_data import Basis, BasisFunction from gpaw.pseudopotential import PseudoPotential setups = {} # Filled out during parsing below sc_setups = {} # Semicore # Tabulated values of Gamma(m + 1/2) half_integer_gamma = [np.sqrt(np.pi)] for m in range(20): half_integer_gamma.append(half_integer_gamma[m] * (m + 0.5)) class HGHSetupData: """Setup-compatible class implementing HGH pseudopotential. To the PAW code this will appear as a legit PAW setup, but is in fact considerably simpler. In particular, all-electron and pseudo partial waves are all zero, and compensation charges do not depend on environment. A HGH setup has the following form:: ---- \ V = Vlocal + ) | p > h < p | / i ij j ---- ij Vlocal contains a short-range term which is Gaussian-shaped and implemented as vbar of a PAW setup, along with a long-range term which goes like 1/r and is implemented in terms of a compensation charge. The non-local part contains KB projector functions which are essentially similar to those in PAW, while h_ij are constants. h_ij are provided by setting the K_p variable of the normal setup. Most other properties of a PAW setup do not exist for HGH setups, for which reason they are generally set to zero: * All-electron partial waves: always zero * Pseudo partial waves: always zero * Projectors: HGH projectors * Zero potential (vbar): Gaussian times polynomial * Compensation charges: One Gaussian-shaped spherically symmetric charge * All-electron core density: Delta function corresponding to core electron charge * Pseudo core density: always zero * Pseudo valence density: always zero * PS/AE Kinetic energy density: always zero * The mysterious constants K_p of a setup correspond to h_ij. Note that since the pseudo partial waves are set to zero, initialization of atomic orbitals requires loading a custom basis set. Absolute energies become numerically large since no atomic reference is subtracted. """ def __init__(self, hghdata): if isinstance(hghdata, str): symbol = hghdata if symbol.endswith('.sc'): hghdata = sc_setups[symbol[:-3]] else: hghdata = setups[symbol] self.hghdata = hghdata chemsymbol = hghdata.symbol if '.' in chemsymbol: chemsymbol, sc = chemsymbol.split('.') assert sc == 'sc' self.symbol = chemsymbol self.type = hghdata.symbol self.name = 'LDA' self.initialize_setup_data() def initialize_setup_data(self): hghdata = self.hghdata beta = 0.1 N = 450 rgd = AERadialGridDescriptor(beta / N, 1.0 / N, N, default_spline_points=100) #rgd = EquidistantRadialGridDescriptor(0.001, 10000) self.rgd = rgd self.Z = hghdata.Z self.Nc = hghdata.Z - hghdata.Nv self.Nv = hghdata.Nv self.rcgauss = np.sqrt(2.0) * hghdata.rloc threshold = 1e-8 if len(hghdata.c_n) > 0: vloc_g = create_local_shortrange_potential(rgd.r_g, hghdata.rloc, hghdata.c_n) gcutvbar, rcutvbar = self.find_cutoff(rgd.r_g, rgd.dr_g, vloc_g, threshold) self.vbar_g = np.sqrt(4.0 * np.pi) * vloc_g[:gcutvbar] else: rcutvbar = 0.5 gcutvbar = rgd.ceil(rcutvbar) self.vbar_g = np.zeros(gcutvbar) nj = sum([v.nn for v in hghdata.v_l]) if nj == 0: nj = 1 # Code assumes nj > 0 elsewhere, we fill out with zeroes if not hghdata.v_l: # No projectors. But the remaining code assumes that everything # has projectors! We'll just add the zero function then hghdata.v_l = [VNonLocal(0, 0.01, [[0.]])] n_j = [] l_j = [] # j ordering is significant, must be nl rather than ln for n, l in self.hghdata.nl_iter(): n_j.append(n + 1) # Note: actual n must be positive! l_j.append(l) assert nj == len(n_j) self.nj = nj self.l_j = l_j self.l_orb_j = l_j self.n_j = n_j self.rcut_j = [] self.pt_jg = [] for n, l in zip(n_j, l_j): # Note: even pseudopotentials without projectors will get one # projector, but the coefficients h_ij should be zero so it # doesn't matter pt_g = create_hgh_projector(rgd.r_g, l, n, hghdata.v_l[l].r0) norm = np.sqrt(np.dot(rgd.dr_g, pt_g**2 * rgd.r_g**2)) assert np.abs(1 - norm) < 1e-5, str(1 - norm) gcut, rcut = self.find_cutoff(rgd.r_g, rgd.dr_g, pt_g, threshold) if rcut < 0.5: rcut = 0.5 gcut = rgd.ceil(rcut) pt_g = pt_g[:gcut].copy() rcut = max(rcut, 0.5) self.rcut_j.append(rcut) self.pt_jg.append(pt_g) # This is the correct magnitude of the otherwise normalized # compensation charge self.Delta0 = -self.Nv / np.sqrt(4.0 * np.pi) f_ln = self.hghdata.get_occupation_numbers() f_j = [0] * nj for j, (n, l) in enumerate(self.hghdata.nl_iter()): try: f_j[j] = f_ln[l][n] except IndexError: pass self.f_ln = f_ln self.f_j = f_j def find_cutoff(self, r_g, dr_g, f_g, sqrtailnorm=1e-5): g = len(r_g) acc_sqrnorm = 0.0 while acc_sqrnorm <= sqrtailnorm: g -= 1 acc_sqrnorm += (r_g[g] * f_g[g])**2.0 * dr_g[g] if r_g[g] < 0.5: # XXX return g, r_g[g] return g, r_g[g] def expand_hamiltonian_matrix(self): """Construct K_p from individual h_nn for each l.""" ni = sum([2 * l + 1 for l in self.l_j]) H_ii = np.zeros((ni, ni)) # The H_ii used in gpaw is much larger and more general than the one # required for HGH pseudopotentials. This means a lot of the elements # must be assigned the same value. Not a performance issue though, # since these are small matrices M1start = 0 for n1, l1 in self.hghdata.nl_iter(): M1end = M1start + 2 * l1 + 1 M2start = 0 v = self.hghdata.v_l[l1] for n2, l2 in self.hghdata.nl_iter(): M2end = M2start + 2 * l2 + 1 if l1 == l2: h_nn = v.expand_hamiltonian_diagonal() H_mm = np.identity(M2end - M2start) * h_nn[n1, n2] H_ii[M1start:M1end, M2start:M2end] += H_mm M2start = M2end M1start = M1end K_p = pack2(H_ii) return K_p def __str__(self): return "HGHSetupData('%s')" % self.type def __repr__(self): return self.__str__() def print_info(self, text, _setup): self.hghdata.print_info(text) def plot(self): """Plot localized functions of HGH setup.""" import pylab as pl rgd = self.rgd pl.subplot(211) # vbar, compensation charge rloc = self.hghdata.rloc gloc = self.rgd.ceil(rloc) gcutvbar = len(self.vbar_g) pl.plot(rgd.r_g[:gcutvbar], self.vbar_g, 'r', label='vloc', linewidth=3) rcc, gcc = self.get_compensation_charge_functions() gcc = gcc[0] pl.plot(rcc, gcc * self.Delta0, 'b--', label='Comp charge [arb. unit]', linewidth=3) pl.legend(loc='best') pl.subplot(212) # projectors for j, (n, l, pt_g) in enumerate(zip(self.n_j, self.l_j, self.pt_jg)): label = 'n=%d, l=%d' % (n, l) pl.ylabel('$p_n^l(r)$') ng = len(pt_g) r_g = rgd.r_g[:ng] pl.plot(r_g, pt_g, label=label) r0 = self.hghdata.v_l[self.l_j[j]].r0 g0 = self.rgd.ceil(r0) pl.legend() def get_projectors(self): # XXX equal-range projectors still required for some reason maxlen = max([len(pt_g) for pt_g in self.pt_jg]) pt_j = [] for l, pt1_g in zip(self.l_j, self.pt_jg): pt2_g = self.rgd.zeros()[:maxlen] pt2_g[:len(pt1_g)] = pt1_g pt_j.append(self.rgd.spline(pt2_g, self.rgd.r_g[maxlen - 1], l)) return pt_j def create_basis_functions(self): from gpaw.pseudopotential import generate_basis_functions return generate_basis_functions(self) def get_compensation_charge_functions(self): alpha = self.rcgauss**-2 rcutgauss = self.rcgauss * 5.0 # smaller values break charge conservation r = np.linspace(0.0, rcutgauss, 100) g = alpha**1.5 * np.exp(-alpha * r**2) * 4.0 / np.sqrt(np.pi) g[-1] = 0.0 return r, [0], [g] def get_local_potential(self): n = len(self.vbar_g) return self.rgd.spline(self.vbar_g, self.rgd.r_g[n - 1]) def build(self, xcfunc, lmax, basis, filter=None): if basis is None: basis = self.create_basis_functions() setup = PseudoPotential(self, basis) setup.fingerprint = md5_new(str(self.hghdata)).hexdigest() return setup def create_local_shortrange_potential(r_g, rloc, c_n): rr_g = r_g / rloc # "Relative r" rr2_g = rr_g**2 rr4_g = rr2_g**2 rr6_g = rr4_g * rr2_g gaussianpart = np.exp(-.5 * rr2_g) polypart = np.zeros(r_g.shape) for c, rrn_g in zip(c_n, [1, rr2_g, rr4_g, rr6_g]): polypart += c * rrn_g vloc_g = gaussianpart * polypart return vloc_g def create_hgh_projector(r_g, l, n, r0): poly_g = r_g**(l + 2 * (n - 1)) gauss_g = np.exp(-.5 * r_g**2 / r0**2) A = r0**(l + (4 * n - 1) / 2.0) assert (4 * n - 1) % 2 == 1 B = half_integer_gamma[l + (4 * n - 1) // 2]**.5 pt_g = 2.**.5 / A / B * poly_g * gauss_g return pt_g # Coefficients determining off-diagonal elements of h_nn for l = 0...2 # given the diagonal elements hcoefs_l = [ [-.5 * (3. / 5.)**.5, .5 * (5. / 21.)**.5, -.5 * (100. / 63.)**.5], [-.5 * (5. / 7.)**.5, 1./6. * (35. / 11.)**.5, -1./6. * 14./11.**.5], [-.5 * (7. / 9.)**.5, .5 * (63. / 143)**.5, -.5 * 18. / 143.**.5] ] class VNonLocal: """Wrapper class for one nonlocal term of an HGH potential.""" def __init__(self, l, r0, h_n): self.l = l self.r0 = r0 h_n = np.array(h_n) nn = len(h_n) self.nn = nn self.h_n = h_n def expand_hamiltonian_diagonal(self): """Construct full atomic Hamiltonian from diagonal elements.""" nn = self.nn h_n = self.h_n h_nn = np.zeros((nn, nn)) for n, h in enumerate(h_n): h_nn[n, n] = h if self.l > 2: #print 'Warning: no diagonal elements for l=%d' % l # Some elements have projectors corresponding to l=3, but # the HGH article only specifies how to calculate the # diagonal elements of the atomic hamiltonian for l = 0, 1, 2 ! return coefs = hcoefs_l[self.l] if nn > 2: h_nn[0, 2] = h_nn[2, 0] = coefs[1] * h_n[2] h_nn[1, 2] = h_nn[2, 1] = coefs[2] * h_n[2] if nn > 1: h_nn[0, 1] = h_nn[1, 0] = coefs[0] * h_n[1] return h_nn def copy(self): return VNonLocal(self.l, self.r0, self.h_n.copy()) def serialize(self): # no spin-orbit part return ' '.join([' ', '%-10s' % self.r0] + ['%10f' % h for h in self.h_n]) class HGHParameterSet: """Wrapper class for HGH-specific data corresponding to one element.""" def __init__(self, symbol, Z, Nv, rloc, c_n, v_l): self.symbol = symbol # Identifier, e.g. 'Na', 'Na.sc', ... self.Z = Z # Actual atomic number self.Nv = Nv # Valence electron count self.rloc = rloc # Characteristic radius of local part self.c_n = np.array(c_n) # Polynomial coefficients for local part self.v_l = list(v_l) # Non-local parts Z, nlfe_j = configurations[self.symbol.split('.')[0]] self.configuration = nlfe_j def __str__(self): strings = ['HGH setup for %s\n' % self.symbol, ' Valence Z=%d, rloc=%.05f\n' % (self.Nv, self.rloc)] if len(self.c_n) > 0: coef_string = ', '.join(['%.05f' % c for c in self.c_n]) else: coef_string = 'zeros' strings.append(' Local part coeffs: %s\n' % coef_string) strings.append(' Projectors:\n') if not self.v_l: strings.append(' None\n') for v in self.v_l: strings.append(' l=%d, rc=%.05f\n' % (v.l, v.r0)) strings.append(' Diagonal coefficients of nonlocal parts:') if not self.v_l: strings.append('\n None\n') for v in self.v_l: strings.append('\n') strings.append(' l=%d: ' % v.l + ', '.join(['%8.05f' % h for h in v.h_n])) return ''.join(strings) def copy(self): other = HGHParameterSet(self.symbol, self.Z, self.Nv, self.rloc, self.c_n, self.v_l) return other def print_info(self, txt): txt(str(self)) txt() def nl_iter(self): for n in range(4): for l, v in enumerate(self.v_l): if n < v.nn: yield n, l def get_occupation_numbers(self): nlfe_j = list(self.configuration) nlfe_j.reverse() f_ln = [[], [], []] # [[s], [p], [d]] # f states will be ignored as the atomic Hamiltonians # of those are, carelessly, not defined in the article. lmax = len(self.v_l) - 1 Nv = 0 # Right. We need to find the occupation numbers of each state and # put them into a nice list of lists f_ln. # # We loop over states starting with the least bound one # (i.e. reversed nlfe_j), adding the occupation numbers of each state # as appropriate. Once we have the right number of electrons, we # end the loop. # # Some states in the standard configuration might # be f-type; these should be skipped (unless the HGH setup actually # has a valence f-state; however as noted above, some of the # parameters are undefined in that case so are ignored anyway). More # generally if for some state l > lmax, # we can skip that state. for n, l, f, e in nlfe_j: if l > lmax: continue Nv += f f_n = f_ln[l] assert f_n == [] or self.symbol.endswith('.sc') f_n.append(f) if Nv >= self.Nv: break assert Nv == self.Nv return f_ln def zeropad(self): """Return a new HGHParameterSet with all arrays zero padded so they have the same (max) length for all such HGH setups. Makes plotting multiple HGH setups easier because they have compatible arrays.""" c_n = np.zeros(4) for n, c in enumerate(self.c_n): c_n[n] = c v_l = [] for l, v in enumerate(self.v_l): h_n = np.zeros(3) h_n[:len(v.h_n)] = list(v.h_n) v2 = VNonLocal(l, v.r0, h_n) v_l.append(v2) for l in range(len(self.v_l), 3): v_l.append(VNonLocal(l, 0.5, np.zeros(3))) copy = HGHParameterSet(self.symbol, self.Z, self.Nv, self.rloc, c_n, v_l) return copy def serialize(self): string1 = '%-5s %-12s %10s ' % (self.symbol, self.Z, self.rloc) string2 = ' '.join(['%.10s' % c for c in self.c_n]) nonlocal_strings = [v.serialize() for v in self.v_l] return '\n'.join([string1 + string2] + nonlocal_strings) def parse_local_part(string): """Create HGHParameterSet object with local part initialized.""" tokens = iter(string.split()) symbol = tokens.next() actual_chemical_symbol = symbol.split('.')[0] Z = atomic_numbers[actual_chemical_symbol] Nv = int(tokens.next()) rloc = float(tokens.next()) c_n = [float(token) for token in tokens] return symbol, Z, Nv, rloc, c_n class HGHBogusNumbersError(ValueError): """Error which is raised when the HGH parameters contain f-type or higher projectors. The HGH article only defines atomic Hamiltonian matrices up to l=2, so these are meaningless.""" pass def parse_hgh_setup(lines): """Initialize HGHParameterSet object from text representation.""" lines = iter(lines) symbol, Z, Nv, rloc, c_n = parse_local_part(lines.next()) def pair_up_nonlocal_lines(lines): yield lines.next(), '' while True: yield lines.next(), lines.next() v_l = [] for l, (nonlocal, spinorbit) in enumerate(pair_up_nonlocal_lines(lines)): # we discard the spinorbit 'k_n' data so far nltokens = nonlocal.split() r0 = float(nltokens[0]) h_n = [float(token) for token in nltokens[1:]] #if h_n[-1] == 0.0: # Only spin-orbit contributes. Discard. # h_n.pop() # Actually the above causes trouble. Probably it messes up state # ordering or something else that shouldn't have any effect. vnl = VNonLocal(l, r0, h_n) v_l.append(vnl) if l > 2: raise HGHBogusNumbersError hgh = HGHParameterSet(symbol, Z, Nv, rloc, c_n, v_l) return hgh def str2hgh(string): return parse_hgh_setups(string.splitlines()) def hgh2str(hgh): return hgh.serialize() def parse_setups(lines): """Read HGH data from file.""" setups = {} entry_lines = [i for i in xrange(len(lines)) if lines[i][0].isalpha()] lines_by_element = [lines[entry_lines[i]:entry_lines[i + 1]] for i in xrange(len(entry_lines) - 1)] lines_by_element.append(lines[entry_lines[-1]:]) for elines in lines_by_element: try: hgh = parse_hgh_setup(elines) except HGHBogusNumbersError: continue assert hgh.symbol not in setups setups[hgh.symbol] = hgh return setups def plot(symbol, extension=None): import pylab as pl try: s = HGHSetupData(symbol) except IndexError: print 'Nooooo' return s.plot() if extension is not None: pl.savefig('hgh.%s.%s' % (symbol, extension)) def plot_many(*symbols): import pylab as pl if not symbols: symbols = setups.keys() + [key + '.sc' for key in sc_setups.keys()] for symbol in symbols: pl.figure(1) plot(symbol, extension='png') pl.clf() def parse_default_setups(): from hgh_parameters import parameters lines = parameters.splitlines() setups0 = parse_setups(lines) for key, value in setups0.items(): if key.endswith('.sc'): sym, sc = key.split('.') sc_setups[sym] = value else: setups[key] = value parse_default_setups()
robwarm/gpaw-symm
gpaw/hgh.py
Python
gpl-3.0
19,812
[ "ASE", "GPAW", "Gaussian" ]
98716138b8a053aedd815fab3f8c852ce04f6e69cb76215aee38f52cf59d273c
# # QAPI types generator # # Copyright IBM, Corp. 2011 # # Authors: # Anthony Liguori <aliguori@us.ibm.com> # # This work is licensed under the terms of the GNU GPLv2. # See the COPYING.LIB file in the top-level directory. from ordereddict import OrderedDict from qapi import * import sys import os import getopt import errno def generate_fwd_struct(name, members, builtin_type=False): if builtin_type: return mcgen(''' typedef struct %(name)sList { union { %(type)s value; uint64_t padding; }; struct %(name)sList *next; } %(name)sList; ''', type=c_type(name), name=name) return mcgen(''' typedef struct %(name)s %(name)s; typedef struct %(name)sList { union { %(name)s *value; uint64_t padding; }; struct %(name)sList *next; } %(name)sList; ''', name=name) def generate_fwd_enum_struct(name, members): return mcgen(''' typedef struct %(name)sList { union { %(name)s value; uint64_t padding; }; struct %(name)sList *next; } %(name)sList; ''', name=name) def generate_struct_fields(members): ret = '' for argname, argentry, optional, structured in parse_args(members): if optional: ret += mcgen(''' bool has_%(c_name)s; ''', c_name=c_var(argname)) if structured: push_indent() ret += generate_struct("", argname, argentry) pop_indent() else: ret += mcgen(''' %(c_type)s %(c_name)s; ''', c_type=c_type(argentry), c_name=c_var(argname)) return ret def generate_struct(structname, fieldname, members): ret = mcgen(''' struct %(name)s { ''', name=structname) ret += generate_struct_fields(members) if len(fieldname): fieldname = " " + fieldname ret += mcgen(''' }%(field)s; ''', field=fieldname) return ret def generate_enum_lookup(name, values): ret = mcgen(''' const char *%(name)s_lookup[] = { ''', name=name) i = 0 for value in values: ret += mcgen(''' "%(value)s", ''', value=value) ret += mcgen(''' NULL, }; ''') return ret def generate_enum_name(name): if name.isupper(): return c_fun(name, False) new_name = '' for c in c_fun(name, False): if c.isupper(): new_name += '_' new_name += c return new_name.lstrip('_').upper() def generate_enum(name, values): lookup_decl = mcgen(''' extern const char *%(name)s_lookup[]; ''', name=name) enum_decl = mcgen(''' typedef enum %(name)s { ''', name=name) # append automatically generated _MAX value enum_values = values + [ 'MAX' ] i = 0 for value in enum_values: enum_decl += mcgen(''' %(abbrev)s_%(value)s = %(i)d, ''', abbrev=de_camel_case(name).upper(), value=generate_enum_name(value), i=i) i += 1 enum_decl += mcgen(''' } %(name)s; ''', name=name) return lookup_decl + enum_decl def generate_anon_union_qtypes(expr): name = expr['union'] members = expr['data'] ret = mcgen(''' const int %(name)s_qtypes[QTYPE_MAX] = { ''', name=name) for key in members: qapi_type = members[key] if builtin_type_qtypes.has_key(qapi_type): qtype = builtin_type_qtypes[qapi_type] elif find_struct(qapi_type): qtype = "QTYPE_QDICT" elif find_union(qapi_type): qtype = "QTYPE_QDICT" else: assert False, "Invalid anonymous union member" ret += mcgen(''' [ %(qtype)s ] = %(abbrev)s_KIND_%(enum)s, ''', qtype = qtype, abbrev = de_camel_case(name).upper(), enum = c_fun(de_camel_case(key),False).upper()) ret += mcgen(''' }; ''') return ret def generate_union(expr): name = expr['union'] typeinfo = expr['data'] base = expr.get('base') discriminator = expr.get('discriminator') ret = mcgen(''' struct %(name)s { %(name)sKind kind; union { void *data; ''', name=name) for key in typeinfo: ret += mcgen(''' %(c_type)s %(c_name)s; ''', c_type=c_type(typeinfo[key]), c_name=c_fun(key)) ret += mcgen(''' }; ''') if base: base_fields = find_struct(base)['data'] if discriminator: base_fields = base_fields.copy() del base_fields[discriminator] ret += generate_struct_fields(base_fields) else: assert not discriminator ret += mcgen(''' }; ''') if discriminator == {}: ret += mcgen(''' extern const int %(name)s_qtypes[]; ''', name=name) return ret def generate_type_cleanup_decl(name): ret = mcgen(''' void qapi_free_%(type)s(%(c_type)s obj); ''', c_type=c_type(name),type=name) return ret def generate_type_cleanup(name): ret = mcgen(''' void qapi_free_%(type)s(%(c_type)s obj) { QapiDeallocVisitor *md; Visitor *v; if (!obj) { return; } md = qapi_dealloc_visitor_new(); v = qapi_dealloc_get_visitor(md); visit_type_%(type)s(v, &obj, NULL, NULL); qapi_dealloc_visitor_cleanup(md); } ''', c_type=c_type(name),type=name) return ret try: opts, args = getopt.gnu_getopt(sys.argv[1:], "chbp:o:", ["source", "header", "builtins", "prefix=", "output-dir="]) except getopt.GetoptError, err: print str(err) sys.exit(1) output_dir = "" prefix = "" c_file = 'qapi-types.c' h_file = 'qapi-types.h' do_c = False do_h = False do_builtins = False for o, a in opts: if o in ("-p", "--prefix"): prefix = a elif o in ("-o", "--output-dir"): output_dir = a + "/" elif o in ("-c", "--source"): do_c = True elif o in ("-h", "--header"): do_h = True elif o in ("-b", "--builtins"): do_builtins = True if not do_c and not do_h: do_c = True do_h = True c_file = output_dir + prefix + c_file h_file = output_dir + prefix + h_file try: os.makedirs(output_dir) except os.error, e: if e.errno != errno.EEXIST: raise def maybe_open(really, name, opt): if really: return open(name, opt) else: import StringIO return StringIO.StringIO() fdef = maybe_open(do_c, c_file, 'w') fdecl = maybe_open(do_h, h_file, 'w') fdef.write(mcgen(''' /* AUTOMATICALLY GENERATED, DO NOT MODIFY */ /* * deallocation functions for schema-defined QAPI types * * Copyright IBM, Corp. 2011 * * Authors: * Anthony Liguori <aliguori@us.ibm.com> * Michael Roth <mdroth@linux.vnet.ibm.com> * * This work is licensed under the terms of the GNU LGPL, version 2.1 or later. * See the COPYING.LIB file in the top-level directory. * */ #include "qapi/dealloc-visitor.h" #include "%(prefix)sqapi-types.h" #include "%(prefix)sqapi-visit.h" ''', prefix=prefix)) fdecl.write(mcgen(''' /* AUTOMATICALLY GENERATED, DO NOT MODIFY */ /* * schema-defined QAPI types * * Copyright IBM, Corp. 2011 * * Authors: * Anthony Liguori <aliguori@us.ibm.com> * * This work is licensed under the terms of the GNU LGPL, version 2.1 or later. * See the COPYING.LIB file in the top-level directory. * */ #ifndef %(guard)s #define %(guard)s #include <stdbool.h> #include <stdint.h> ''', guard=guardname(h_file))) exprs = parse_schema(sys.stdin) exprs = filter(lambda expr: not expr.has_key('gen'), exprs) fdecl.write(guardstart("QAPI_TYPES_BUILTIN_STRUCT_DECL")) for typename in builtin_types: fdecl.write(generate_fwd_struct(typename, None, builtin_type=True)) fdecl.write(guardend("QAPI_TYPES_BUILTIN_STRUCT_DECL")) for expr in exprs: ret = "\n" if expr.has_key('type'): ret += generate_fwd_struct(expr['type'], expr['data']) elif expr.has_key('enum'): ret += generate_enum(expr['enum'], expr['data']) + "\n" ret += generate_fwd_enum_struct(expr['enum'], expr['data']) fdef.write(generate_enum_lookup(expr['enum'], expr['data'])) elif expr.has_key('union'): ret += generate_fwd_struct(expr['union'], expr['data']) + "\n" ret += generate_enum('%sKind' % expr['union'], expr['data'].keys()) fdef.write(generate_enum_lookup('%sKind' % expr['union'], expr['data'].keys())) if expr.get('discriminator') == {}: fdef.write(generate_anon_union_qtypes(expr)) else: continue fdecl.write(ret) # to avoid header dependency hell, we always generate declarations # for built-in types in our header files and simply guard them fdecl.write(guardstart("QAPI_TYPES_BUILTIN_CLEANUP_DECL")) for typename in builtin_types: fdecl.write(generate_type_cleanup_decl(typename + "List")) fdecl.write(guardend("QAPI_TYPES_BUILTIN_CLEANUP_DECL")) # ...this doesn't work for cases where we link in multiple objects that # have the functions defined, so we use -b option to provide control # over these cases if do_builtins: fdef.write(guardstart("QAPI_TYPES_BUILTIN_CLEANUP_DEF")) for typename in builtin_types: fdef.write(generate_type_cleanup(typename + "List")) fdef.write(guardend("QAPI_TYPES_BUILTIN_CLEANUP_DEF")) for expr in exprs: ret = "\n" if expr.has_key('type'): ret += generate_struct(expr['type'], "", expr['data']) + "\n" ret += generate_type_cleanup_decl(expr['type'] + "List") fdef.write(generate_type_cleanup(expr['type'] + "List") + "\n") ret += generate_type_cleanup_decl(expr['type']) fdef.write(generate_type_cleanup(expr['type']) + "\n") elif expr.has_key('union'): ret += generate_union(expr) ret += generate_type_cleanup_decl(expr['union'] + "List") fdef.write(generate_type_cleanup(expr['union'] + "List") + "\n") ret += generate_type_cleanup_decl(expr['union']) fdef.write(generate_type_cleanup(expr['union']) + "\n") elif expr.has_key('enum'): ret += generate_type_cleanup_decl(expr['enum'] + "List") fdef.write(generate_type_cleanup(expr['enum'] + "List") + "\n") else: continue fdecl.write(ret) fdecl.write(''' #endif ''') fdecl.flush() fdecl.close() fdef.flush() fdef.close()
vincent-d/qemu
scripts/qapi-types.py
Python
gpl-2.0
10,549
[ "VisIt" ]
01d8b9ac6503d5b429cb050bb8975811dcc21a03d683189fcd7b7feafa4778f1
#!/usr/bin/env python # -*- mode: python; coding: utf-8; -*- # ---------------------------------------------------------------------------## # # Copyright (C) 1998-2003 Markus Franz Xaver Johannes Oberhumer # Copyright (C) 2003 Mt. Hood Playing Card Co. # Copyright (C) 2005-2009 Skomoroh # # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. # # ---------------------------------------------------------------------------## import pysollib.game from pysollib.game import Game from pysollib.gamedb import GI, GameInfo, registerGame from pysollib.games.canfield import CanfieldRush_Talon from pysollib.hint import CautiousDefaultHint from pysollib.hint import FreeCellSolverWrapper from pysollib.hint import KlondikeType_Hint from pysollib.layout import Layout from pysollib.mfxutil import Struct, kwdefault from pysollib.mygettext import _ from pysollib.pysoltk import MfxCanvasText from pysollib.stack import \ AC_RowStack, \ BO_RowStack, \ DealRowTalonStack, \ InitialDealTalonStack, \ KingAC_RowStack, \ KingSS_RowStack, \ OpenStack, \ OpenTalonStack, \ RK_FoundationStack, \ RK_RowStack, \ RedealTalonStack, \ ReserveStack, \ SC_RowStack, \ SS_FoundationStack, \ SS_RowStack, \ Stack, \ StackWrapper, \ SuperMoveAC_RowStack, \ UD_SS_RowStack, \ WasteStack, \ WasteTalonStack, \ isSameColorSequence from pysollib.util import ACE, ANY_RANK, ANY_SUIT, KING, NO_RANK # ************************************************************************ # * Klondike # ************************************************************************ class Klondike(Game): Layout_Method = staticmethod(Layout.klondikeLayout) Talon_Class = WasteTalonStack Foundation_Class = SS_FoundationStack RowStack_Class = KingAC_RowStack Hint_Class = KlondikeType_Hint def createGame(self, max_rounds=-1, num_deal=1, **layout): # create layout lay, s = Layout(self), self.s kwdefault(layout, rows=7, waste=1, texts=1, playcards=16) self.Layout_Method.__get__(lay, lay.__class__)(**layout) # self.__class__.Layout_Method(lay, **layout) self.setSize(lay.size[0], lay.size[1]) # create stacks s.talon = self.Talon_Class(lay.s.talon.x, lay.s.talon.y, self, max_rounds=max_rounds, num_deal=num_deal) if lay.s.waste: s.waste = WasteStack(lay.s.waste.x, lay.s.waste.y, self) for r in lay.s.foundations: s.foundations.append( self.Foundation_Class(r.x, r.y, self, suit=r.suit)) for r in lay.s.rows: s.rows.append(self.RowStack_Class(r.x, r.y, self)) # default lay.defaultAll() return lay def startGame(self, flip=0, reverse=1): for i in range(1, len(self.s.rows)): self.s.talon.dealRow( rows=self.s.rows[i:], flip=flip, frames=0, reverse=reverse) self.startDealSample() self.s.talon.dealRow(reverse=reverse) if self.s.waste: self.s.talon.dealCards() # deal first card to WasteStack shallHighlightMatch = Game._shallHighlightMatch_AC # ************************************************************************ # * Vegas Klondike # ************************************************************************ class VegasKlondike(Klondike): getGameScore = Game.getGameScoreCasino getGameBalance = Game.getGameScoreCasino def createGame(self, max_rounds=1): lay = Klondike.createGame(self, max_rounds=max_rounds) self.texts.score = MfxCanvasText(self.canvas, 8, self.height - 8, anchor="sw", font=self.app.getFont("canvas_large")) return lay def updateText(self): if self.preview > 1: return b1, b2 = self.app.stats.gameid_balance, 0 if self.shallUpdateBalance(): b2 = self.getGameBalance() t = _("Balance $%d") % (b1 + b2) self.texts.score.config(text=t) def getDemoInfoTextAttr(self, tinfo): return tinfo[1] # "se" corner # ************************************************************************ # * Casino Klondike # ************************************************************************ class CasinoKlondike(VegasKlondike): def createGame(self): lay = VegasKlondike.createGame(self, max_rounds=3) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) # ************************************************************************ # * Klondike by Threes # ************************************************************************ class KlondikeByThrees(Klondike): def createGame(self): Klondike.createGame(self, num_deal=3) # ************************************************************************ # * Trigon # ************************************************************************ class Trigon(Klondike): RowStack_Class = KingSS_RowStack # ************************************************************************ # * Thumb and Pouch # * Chinaman # ************************************************************************ class ThumbAndPouch(Klondike): RowStack_Class = BO_RowStack def createGame(self): Klondike.createGame(self, max_rounds=1) def shallHighlightMatch(self, stack1, card1, stack2, card2): return (card1.suit != card2.suit and (card1.rank + 1 == card2.rank or card2.rank + 1 == card1.rank)) class Chinaman(ThumbAndPouch): RowStack_Class = StackWrapper(BO_RowStack, base_rank=KING) def createGame(self): lay = Klondike.createGame(self, num_deal=3, max_rounds=2, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) # ************************************************************************ # * Whitehead # ************************************************************************ class Whitehead_RowStack(SS_RowStack): def _isAcceptableSequence(self, cards): return isSameColorSequence(cards, self.cap.mod, self.cap.dir) def getHelp(self): return _('Tableau. Build down by color. Sequences of cards ' 'in the same suit can be moved as a unit.') class Whitehead(Klondike): RowStack_Class = Whitehead_RowStack Hint_Class = CautiousDefaultHint def createGame(self): Klondike.createGame(self, max_rounds=1) def startGame(self): Klondike.startGame(self, flip=1) shallHighlightMatch = Game._shallHighlightMatch_SS getQuickPlayScore = Game._getSpiderQuickPlayScore # ************************************************************************ # * Small Harp (Klondike in a different layout) # ************************************************************************ class SmallHarp(Klondike): Layout_Method = staticmethod(Layout.gypsyLayout) def startGame(self): for i in range(len(self.s.rows)): self.s.talon.dealRow(rows=self.s.rows[:i], flip=0, frames=0) self._startAndDealRowAndCards() # ************************************************************************ # * Eastcliff # * Easthaven # ************************************************************************ class Eastcliff(Klondike): RowStack_Class = AC_RowStack def createGame(self): Klondike.createGame(self, max_rounds=1) def startGame(self): for i in range(2): self.s.talon.dealRow(flip=0, frames=0) self.startDealSample() self.s.talon.dealRow() if self.s.waste: self.s.talon.dealCards() # deal first card to WasteStack class Easthaven(Eastcliff): Talon_Class = DealRowTalonStack def createGame(self): Klondike.createGame(self, max_rounds=1, waste=0) class DoubleEasthaven(Easthaven): def createGame(self): Klondike.createGame(self, rows=8, max_rounds=1, waste=0, playcards=20) class TripleEasthaven(Easthaven): def createGame(self): Klondike.createGame(self, rows=12, max_rounds=1, waste=0, playcards=26) # ************************************************************************ # * Westcliff # * Westhaven # ************************************************************************ class Westcliff(Eastcliff): Foundation_Class = StackWrapper(SS_FoundationStack, max_move=0) def createGame(self): Klondike.createGame(self, max_rounds=1, rows=10) class Westhaven(Westcliff): Talon_Class = DealRowTalonStack def createGame(self): Klondike.createGame(self, max_rounds=1, rows=10, waste=0) # ************************************************************************ # * Pas Seul # ************************************************************************ class PasSeul(pysollib.game.StartDealRowAndCards, Eastcliff): def createGame(self): Klondike.createGame(self, max_rounds=1, rows=6) # ************************************************************************ # * Blind Alleys # ************************************************************************ class BlindAlleys(Eastcliff): def createGame(self): lay = Klondike.createGame(self, max_rounds=2, rows=6, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) def _shuffleHook(self, cards): # move Aces to top of the Talon (i.e. first cards to be dealt) return self._shuffleHookMoveToTop( cards, lambda c: (c.rank == 0, c.suit)) def startGame(self): self.s.talon.dealRow(rows=self.s.foundations, frames=0) Eastcliff.startGame(self) # ************************************************************************ # * Somerset # * Morehead # * Usk # ************************************************************************ class Somerset(Klondike): Talon_Class = InitialDealTalonStack RowStack_Class = SuperMoveAC_RowStack Hint_Class = CautiousDefaultHint Solver_Class = FreeCellSolverWrapper() def createGame(self): Klondike.createGame(self, max_rounds=1, rows=10, waste=0, texts=0) def startGame(self): for i in range(6): self.s.talon.dealRow(rows=self.s.rows[i:], frames=0) self.startDealSample() self.s.talon.dealRow(rows=self.s.rows[6:]) self.s.talon.dealRow(rows=self.s.rows[7:]) class Morehead(Somerset): RowStack_Class = StackWrapper(BO_RowStack, max_move=1) Solver_Class = None class Usk(Somerset): Talon_Class = RedealTalonStack RowStack_Class = StackWrapper(AC_RowStack, base_rank=KING) Solver_Class = None def createGame(self): lay = Klondike.createGame(self, max_rounds=2, rows=10, waste=False, texts=False, round_text=True) lay.createRoundText(self.s.talon, 'ne') def redealCards(self): n = 0 while self.s.talon.cards: self.s.talon.dealRowAvail(rows=self.s.rows[n:], frames=4) n += 1 # ************************************************************************ # * Canister # * American Canister # * British Canister # ************************************************************************ class AmericanCanister(Klondike): Talon_Class = InitialDealTalonStack RowStack_Class = AC_RowStack Solver_Class = FreeCellSolverWrapper(sm='unlimited') def createGame(self): Klondike.createGame(self, max_rounds=1, rows=8, waste=0, texts=0) def startGame(self): self._startDealNumRows(5) self.s.talon.dealRow() self.s.talon.dealRow(rows=self.s.rows[2:6]) class Canister(AmericanCanister): RowStack_Class = RK_RowStack Solver_Class = FreeCellSolverWrapper(sbb='rank', sm='unlimited') shallHighlightMatch = Game._shallHighlightMatch_RK class BritishCanister(AmericanCanister): RowStack_Class = StackWrapper(KingAC_RowStack, max_move=1) Solver_Class = FreeCellSolverWrapper(esf='kings') # ************************************************************************ # * Agnes Sorel # ************************************************************************ class AgnesSorel(Klondike): Talon_Class = DealRowTalonStack Foundation_Class = StackWrapper( SS_FoundationStack, mod=13, base_rank=NO_RANK, max_move=0) RowStack_Class = StackWrapper(SC_RowStack, mod=13, base_rank=NO_RANK) def createGame(self): Klondike.createGame(self, max_rounds=1, waste=0) def startGame(self): Klondike.startGame(self, flip=1) self.s.talon.dealSingleBaseCard() def shallHighlightMatch(self, stack1, card1, stack2, card2): return (card1.color == card2.color and ((card1.rank + 1) % 13 == card2.rank or (card2.rank + 1) % 13 == card1.rank)) # ************************************************************************ # * 8 x 8 # * Achtmal Acht # * Eight by Eight # ************************************************************************ class EightTimesEight(Klondike): Layout_Method = staticmethod(Layout.gypsyLayout) RowStack_Class = AC_RowStack def createGame(self): Klondike.createGame(self, rows=8) def startGame(self): self._startDealNumRows(7) self.s.talon.dealRow() self.s.talon.dealCards() # deal first card to WasteStack class AchtmalAcht(EightTimesEight): def createGame(self): lay = Klondike.createGame(self, rows=8, max_rounds=3, round_text=True) lay.createRoundText(self.s.talon, 'sw', dx=-lay.XS) class EightByEight_RowStack(RK_RowStack): def acceptsCards(self, from_stack, cards): if not RK_RowStack.acceptsCards(self, from_stack, cards): return False if not self.cards: return len(cards) == 1 return True class EightByEight(EightTimesEight): Layout_Method = staticmethod(Layout.klondikeLayout) # gypsyLayout Talon_Class = CanfieldRush_Talon RowStack_Class = EightByEight_RowStack def createGame(self): lay = Klondike.createGame(self, rows=8, playcards=20, max_rounds=3, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) shallHighlightMatch = Game._shallHighlightMatch_RK # ************************************************************************ # * Batsford # * Batsford Again # ************************************************************************ class Batsford_ReserveStack(ReserveStack): def acceptsCards(self, from_stack, cards): if not ReserveStack.acceptsCards(self, from_stack, cards): return False # must be a King return cards[0].rank == KING def getHelp(self): return _('Reserve. Only Kings are acceptable.') class Batsford(Klondike): def createGame(self, **layout): kwdefault(layout, rows=10, max_rounds=1, playcards=22) round_text = (layout['max_rounds'] > 1) layout['round_text'] = round_text lay = Klondike.createGame(self, **layout) s = self.s x, y = lay.XM, self.height - lay.YS s.reserves.append(Batsford_ReserveStack(x, y, self, max_cards=3)) self.setRegion( s.reserves, (-999, y - lay.YM - lay.CH//2, x + lay.XS - lay.CW//2, 999999), priority=1) lay.createText(s.reserves[0], "se") if round_text: lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) lay.defaultStackGroups() class BatsfordAgain(Batsford): def createGame(self): Batsford.createGame(self, max_rounds=2) # ************************************************************************ # * Jumbo # ************************************************************************ class Jumbo(Klondike): def createGame(self): lay = Klondike.createGame(self, rows=9, max_rounds=2, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) def startGame(self, flip=0): for i in range(9): self.s.talon.dealRow(rows=self.s.rows[:i], flip=flip, frames=0) self._startAndDealRowAndCards() class OpenJumbo(Jumbo): def startGame(self): Jumbo.startGame(self, flip=1) # ************************************************************************ # * Stonewall # * Flower Garden # ************************************************************************ class Stonewall(Klondike): Talon_Class = InitialDealTalonStack RowStack_Class = AC_RowStack DEAL = (0, 1, 0, 1, -1, 0, 1) def createGame(self): lay = Klondike.createGame(self, rows=6, waste=0, max_rounds=1, texts=0) s = self.s h = max(self.height, lay.YM+4*lay.YS) self.setSize(self.width + lay.XM+4*lay.XS, h) for i in range(4): for j in range(4): x, y = self.width + (j-4)*lay.XS, lay.YM + i*lay.YS s.reserves.append(OpenStack(x, y, self, max_accept=0)) lay.defaultStackGroups() def startGame(self): frames = 0 for flip in self.DEAL: if flip < 0: frames = -1 self.startDealSample() else: self.s.talon.dealRow(flip=flip, frames=frames) self.s.talon.dealRow(rows=self.s.reserves) class FlowerGarden(Stonewall): RowStack_Class = StackWrapper(RK_RowStack, max_move=1) Hint_Class = CautiousDefaultHint DEAL = (1, 1, 1, 1, -1, 1, 1) shallHighlightMatch = Game._shallHighlightMatch_RK # ************************************************************************ # * King Albert # * Raglan # * Brigade # * Relaxed Raglan # * Queen Victoria # ************************************************************************ class KingAlbert(Klondike): Talon_Class = InitialDealTalonStack RowStack_Class = StackWrapper(AC_RowStack, max_move=1) Hint_Class = CautiousDefaultHint ROWS = 9 RESERVES = (2, 2, 2, 1) def createGame(self): lay = Klondike.createGame( self, max_rounds=1, rows=self.ROWS, waste=0, texts=0) s = self.s rw, rh = max(self.RESERVES), len(self.RESERVES) h = max(self.height, lay.YM+rh*lay.YS) self.setSize(self.width + 2*lay.XM+rw*lay.XS, h) for i in range(rh): for j in range(self.RESERVES[i]): x, y = self.width + (j-rw)*lay.XS, lay.YM + i*lay.YS s.reserves.append(OpenStack(x, y, self, max_accept=0)) lay.defaultStackGroups() def startGame(self): Klondike.startGame(self, flip=1, reverse=0) self.s.talon.dealRow(rows=self.s.reserves) class Raglan(KingAlbert): RESERVES = (2, 2, 2) def _shuffleHook(self, cards): # move Aces to bottom of the Talon (i.e. last cards to be dealt) return self._shuffleHookMoveToBottom( cards, lambda c: (c.rank == 0, c.suit)) def startGame(self): for i in range(6): self.s.talon.dealRow(rows=self.s.rows[i:], frames=0) self.startDealSample() self.s.talon.dealRow(rows=self.s.rows[6:]) self.s.talon.dealRow(rows=self.s.reserves) self.s.talon.dealRow(rows=self.s.foundations) class Brigade(Raglan): RowStack_Class = StackWrapper(RK_RowStack, max_move=1) ROWS = 7 RESERVES = (4, 4, 4, 1) def startGame(self): self._startDealNumRows(4) self.s.talon.dealRow() self.s.talon.dealRow(rows=self.s.reserves) self.s.talon.dealRow(rows=self.s.foundations) shallHighlightMatch = Game._shallHighlightMatch_RK class RelaxedRaglan(Raglan): RowStack_Class = AC_RowStack class QueenVictoria(KingAlbert): RowStack_Class = AC_RowStack # ************************************************************************ # * Jane # * Agnes Bernauer # ************************************************************************ class Jane_Talon(OpenTalonStack): rightclickHandler = OpenStack.rightclickHandler doubleclickHandler = OpenStack.doubleclickHandler def canFlipCard(self): return False def canDealCards(self): return len(self.cards) >= 2 def dealCards(self, sound=False): c = 0 if len(self.cards) > 2: c = self.dealRow(self.game.s.reserves, sound=sound) if len(self.cards) == 2: self.game.flipMove(self) self.game.moveMove(1, self, self.game.s.waste, frames=4, shadow=0) self.game.flipMove(self) c = c + 1 return c class Jane(Klondike): Talon_Class = Jane_Talon Foundation_Class = StackWrapper( SS_FoundationStack, mod=13, base_rank=NO_RANK, min_cards=1) RowStack_Class = StackWrapper(AC_RowStack, mod=13, base_rank=NO_RANK) def createGame(self, max_rounds=1, rows=7, reserves=7, playcards=16): lay, s = Layout(self), self.s maxrows = max(rows, 7) w = lay.XM+maxrows*lay.XS+lay.XM+2*lay.XS h = max(lay.YM+2*lay.YS+playcards*lay.YOFFSET+lay.TEXT_HEIGHT, lay.YM+4*lay.YS) self.setSize(w, h) x, y = lay.XM, lay.YM s.talon = self.Talon_Class(x, y, self, max_rounds=max_rounds) lay.createText(s.talon, 's') x += lay.XS s.waste = WasteStack(x, y, self) x += 2*lay.XS for i in range(4): s.foundations.append(self.Foundation_Class(x, y, self, suit=i)) x += lay.XS x, y = lay.XM, lay.YM+lay.YS+lay.TEXT_HEIGHT for i in range(rows): s.rows.append(self.RowStack_Class(x, y, self)) x += lay.XS x0, y = self.width - 2*lay.XS, lay.YM for i in range(reserves): x = x0 + ((i+1) & 1) * lay.XS stack = OpenStack(x, y, self, max_accept=0) stack.CARD_YOFFSET = lay.YM // 3 s.reserves.append(stack) y = y + lay.YS // 2 # not needed, as no cards may be placed on the reserves # self.setRegion(s.reserves, (x0-lay.XM//2, -999, 999999, 999999), # priority=1) lay.defaultStackGroups() self.sg.dropstacks.append(s.talon) def startGame(self, flip=0, reverse=1): for i in range(1, len(self.s.rows)): self.s.talon.dealRow( rows=self.s.rows[i:], flip=flip, frames=0, reverse=reverse) self.startDealSample() self.s.talon.dealRow(reverse=reverse) self.s.talon.dealRow(rows=self.s.reserves) c = self.s.talon.dealSingleBaseCard() # update base rank of row stacks cap = Struct(base_rank=(c.rank - 1) % 13) for s in self.s.rows: s.cap.update(cap.__dict__) self.saveinfo.stack_caps.append((s.id, cap)) shallHighlightMatch = Game._shallHighlightMatch_ACW def _autoDeal(self, sound=True): return 0 class AgnesBernauer_Talon(DealRowTalonStack): def dealCards(self, sound=False): return self.dealRowAvail(self.game.s.reserves, sound=sound) class AgnesBernauer(Jane): Talon_Class = AgnesBernauer_Talon Foundation_Class = StackWrapper( SS_FoundationStack, mod=13, base_rank=NO_RANK, max_move=0) def startGame(self): Jane.startGame(self, flip=1) # ************************************************************************ # * Senate # ************************************************************************ class Senate(Jane): def createGame(self, rows=4): playcards = 10 lay, s = Layout(self), self.s self.setSize(lay.XM+(rows+7)*lay.XS, lay.YM+2*(lay.YS+playcards*lay.YOFFSET)) x, y = lay.XM, lay.YM for i in range(rows): s.rows.append(SS_RowStack(x, y, self)) x += lay.XS for y in lay.YM, lay.YM+lay.YS+playcards*lay.YOFFSET: x = lay.XM+rows*lay.XS+lay.XS//2 for i in range(4): stack = OpenStack(x, y, self, max_accept=0) stack.CARD_XOFFSET, stack.CARD_YOFFSET = 0, lay.YOFFSET s.reserves.append(stack) x += lay.XS x = lay.XM+(rows+5)*lay.XS for i in range(2): y = lay.YM+lay.YS for j in range(4): s.foundations.append(SS_FoundationStack(x, y, self, suit=j)) y += lay.YS x += lay.XS x, y = self.width-lay.XS, lay.YM s.talon = AgnesBernauer_Talon(x, y, self) lay.createText(s.talon, 'nw') lay.defaultStackGroups() def startGame(self): self.s.talon.dealRow(rows=self.s.foundations, frames=0) self.startDealSample() self.s.talon.dealRow(rows=self.s.reserves) self.s.talon.dealRow() def _shuffleHook(self, cards): # move Aces to top of the Talon (i.e. first cards to be dealt) return self._shuffleHookMoveToTop( cards, lambda c: (c.rank == ACE, (c.deck, c.suit))) shallHighlightMatch = Game._shallHighlightMatch_SS class SenatePlus(Senate): def createGame(self): Senate.createGame(self, rows=5) # ************************************************************************ # * Phoenix # * Arizona # ************************************************************************ class Phoenix(Klondike): Hint_Class = CautiousDefaultHint RowStack_Class = AC_RowStack def createGame(self): lay, s = Layout(self), self.s self.setSize(lay.XM + 10*lay.XS, lay.YM + 4*(lay.YS+lay.YM)) for i in range(2): x = lay.XM + i*lay.XS for j in range(4): y = lay.YM + j*(lay.YS+lay.YM) s.reserves.append(OpenStack(x, y, self, max_accept=0)) for i in range(2): x = lay.XM + (8+i)*lay.XS for j in range(4): y = lay.YM + j*(lay.YS+lay.YM) s.reserves.append(OpenStack(x, y, self, max_accept=0)) for i in range(4): s.foundations.append( SS_FoundationStack(lay.XM+(3+i)*lay.XS, lay.YM, self, i)) for i in range(6): s.rows.append( self.RowStack_Class(lay.XM+(2+i)*lay.XS, lay.YM+lay.YS, self)) s.talon = InitialDealTalonStack( lay.XM+int(4.5*lay.XS), lay.YM+3*(lay.YS+lay.YM), self) lay.defaultStackGroups() def startGame(self): self._startDealNumRows(6) self.s.talon.dealRow(rows=self.s.reserves) class Arizona(Phoenix): RowStack_Class = RK_RowStack shallHighlightMatch = Game._shallHighlightMatch_RK # ************************************************************************ # * Lanes # ************************************************************************ class Lanes(Klondike): Hint_Class = CautiousDefaultHint Foundation_Class = StackWrapper(SS_FoundationStack, max_move=0) RowStack_Class = StackWrapper(AC_RowStack, base_rank=ANY_RANK, max_move=1) def createGame(self): lay = Klondike.createGame(self, rows=6, max_rounds=2, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) def _shuffleHook(self, cards): # move Aces to top of the Talon (i.e. first cards to be dealt) return self._shuffleHookMoveToTop(cards, lambda c: (c.rank == ACE, c.suit)) def startGame(self): self.s.talon.dealRow(rows=self.s.foundations, frames=0) self._startDealNumRows(2) self.s.talon.dealRow() self.s.talon.dealCards() # deal first card to WasteStack # ************************************************************************ # * Thirty Six # ************************************************************************ class ThirtySix(Klondike): Foundation_Class = StackWrapper(SS_FoundationStack, max_move=0) RowStack_Class = StackWrapper(RK_RowStack, base_rank=ANY_RANK) def createGame(self): Klondike.createGame(self, rows=6, max_rounds=1) def _fillOne(self): for r in self.s.rows: if r.cards: c = r.cards[-1] for f in self.s.foundations: if f.acceptsCards(r, [c]): self.moveMove(1, r, f, frames=4, shadow=0) return 1 return 0 def startGame(self): self.startDealSample() for i in range(6): self.s.talon.dealRow() while True: if not self._fillOne(): break self.s.talon.dealCards() # deal first card to WasteStack shallHighlightMatch = Game._shallHighlightMatch_RK # ************************************************************************ # * Q.C. # ************************************************************************ class Q_C_(Klondike): Hint_Class = CautiousDefaultHint Foundation_Class = StackWrapper(SS_FoundationStack, max_move=0) RowStack_Class = StackWrapper(SS_RowStack, base_rank=ANY_RANK, max_move=1) def createGame(self): lay = Klondike.createGame(self, rows=6, max_rounds=2) lay.createRoundText(self.s.talon, 'sss') def startGame(self): self._startDealNumRows(3) self.s.talon.dealRow() while self.s.talon.cards: self.s.talon.dealCards() # deal first card to WasteStack if not self.fillWaste(): break def fillWaste(self): waste = self.s.waste if waste.cards: c = waste.cards[-1] for f in self.s.foundations: if f.acceptsCards(self.s.waste, [c]): waste.moveMove(1, f) return True return False def fillStack(self, stack=None): waste = self.s.waste while True: if not self.fillWaste(): break if stack in self.s.rows and not stack.cards: if not waste.cards: while self.s.talon.cards: self.s.talon.dealCards() if not self.fillWaste(): break if waste.cards: waste.moveMove(1, stack) shallHighlightMatch = Game._shallHighlightMatch_SS # ************************************************************************ # * Northwest Territory # * Artic Garden # ************************************************************************ class NorthwestTerritory(KingAlbert): RowStack_Class = StackWrapper(AC_RowStack, base_rank=KING) RESERVES = (4, 4, 4, 4) ROWS = 8 def startGame(self): Klondike.startGame(self, flip=0, reverse=0) self.s.talon.dealRow(rows=self.s.reserves) class ArticGarden(NorthwestTerritory): def startGame(self): Klondike.startGame(self, flip=1, reverse=0) self.s.talon.dealRow(rows=self.s.reserves) # ************************************************************************ # * Aunt Mary # ************************************************************************ class AuntMary(Klondike): def createGame(self): Klondike.createGame(self, rows=6, max_rounds=1) def startGame(self): for i in range(5): j = i+1 self.s.talon.dealRow(rows=self.s.rows[:j], frames=0, flip=1) self.s.talon.dealRow(rows=self.s.rows[j:], frames=0, flip=0) self.startDealSample() self.s.talon.dealRow() self.s.talon.dealCards() # ************************************************************************ # * Double Dot # ************************************************************************ class DoubleDot(Klondike): Talon_Class = DealRowTalonStack RowStack_Class = StackWrapper(RK_RowStack, dir=-2, mod=13) Foundation_Class = StackWrapper(SS_FoundationStack, dir=2, mod=13) def createGame(self): Klondike.createGame(self, max_rounds=1, rows=8, waste=0) def _shuffleHook(self, cards): return self._shuffleHookMoveToTop( cards, lambda c: ((c.rank == ACE and c.suit in (0, 1)) or (c.rank == 1 and c.suit in (2, 3)), c.suit)) def startGame(self): self.s.talon.dealRow(rows=self.s.foundations, frames=0) self._startAndDealRow() # def shallHighlightMatch(self, stack1, card1, stack2, card2): # return abs(card1.rank-card2.rank) == 2 shallHighlightMatch = Game._shallHighlightMatch_RKW # ************************************************************************ # * Seven Devils # ************************************************************************ class SevenDevils_RowStack(AC_RowStack): def acceptsCards(self, from_stack, cards): if not AC_RowStack.acceptsCards(self, from_stack, cards): return False return from_stack not in self.game.s.reserves class SevenDevils(Klondike): Hint_Class = CautiousDefaultHint RowStack_Class = StackWrapper(SevenDevils_RowStack, max_move=1) def createGame(self): lay, s = Layout(self), self.s self.setSize(lay.XM + 10*lay.XS, lay.YM+3*lay.YS+12*lay.YOFFSET) x, y = lay.XM, lay.YM for i in range(8): s.foundations.append(SS_FoundationStack(x, y, self, suit=i//2)) x += lay.XS x, y = lay.XM+lay.XS//2, lay.YM+lay.YS for i in range(7): s.rows.append(self.RowStack_Class(x, y, self)) x += lay.XS x0, y = self.width - 2*lay.XS, lay.YM for i in range(7): x = x0 + ((i+1) & 1) * lay.XS s.reserves.append(OpenStack(x, y, self, max_accept=0)) y += lay.YS // 2 x, y = lay.XM, self.height-lay.YS s.talon = WasteTalonStack(x, y, self, max_rounds=1) lay.createText(s.talon, 'n') x += lay.XS s.waste = WasteStack(x, y, self) lay.createText(s.waste, 'n') lay.defaultStackGroups() def startGame(self, flip=0, reverse=1): Klondike.startGame(self) self.s.talon.dealRow(rows=self.s.reserves) # ************************************************************************ # * Moving Left # * Souter # ************************************************************************ class MovingLeft(Klondike): def createGame(self): Klondike.createGame(self, max_rounds=1, rows=10, playcards=24) def fillStack(self, stack): if not stack.cards: old_state = self.enterState(self.S_FILL) if stack in self.s.rows: i = list(self.s.rows).index(stack) if i < len(self.s.rows)-1: from_stack = self.s.rows[i+1] pile = from_stack.getPile() if pile: from_stack.moveMove(len(pile), stack) self.leaveState(old_state) class Souter(MovingLeft): def createGame(self): lay = Klondike.createGame(self, max_rounds=2, rows=10, playcards=24, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) # ************************************************************************ # * Big Forty # * Ali Baba # * Cassim # ************************************************************************ class BigForty(Klondike): RowStack_Class = SS_RowStack def createGame(self): Klondike.createGame(self, rows=10) def startGame(self): self._startDealNumRowsAndDealRowAndCards(3) shallHighlightMatch = Game._shallHighlightMatch_SS class AliBaba(BigForty): def _shuffleHook(self, cards): # move Aces to top of the Talon (i.e. first cards to be dealt) return self._shuffleHookMoveToTop(cards, lambda c: (c.rank == ACE, c.suit)) def startGame(self): self.s.talon.dealRow(rows=self.s.foundations, frames=0) BigForty.startGame(self) class Cassim(AliBaba): def createGame(self): Klondike.createGame(self, rows=7) # ************************************************************************ # * Saratoga # ************************************************************************ class Saratoga(Klondike): def createGame(self): Klondike.createGame(self, num_deal=3) def startGame(self): Klondike.startGame(self, flip=1) # ************************************************************************ # * Whitehorse # ************************************************************************ class Whitehorse(Klondike): def createGame(self): Klondike.createGame(self, num_deal=3) def startGame(self): self.startDealSample() self.s.talon.dealRow() self.s.talon.dealCards() def fillStack(self, stack): if not stack.cards: old_state = self.enterState(self.S_FILL) if stack in self.s.rows: if not self.s.waste.cards: self.s.talon.dealCards() if self.s.waste.cards: self.s.waste.moveMove(1, stack) self.leaveState(old_state) # ************************************************************************ # * Boost # ************************************************************************ class Boost(Klondike): def createGame(self): lay = Klondike.createGame(self, rows=4, max_rounds=3, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) # ************************************************************************ # * Gold Rush # ************************************************************************ class GoldRush(Klondike): Talon_Class = CanfieldRush_Talon def createGame(self): lay = Klondike.createGame(self, max_rounds=3, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) # ************************************************************************ # * Gold Mine # ************************************************************************ class GoldMine_RowStack(AC_RowStack): getBottomImage = Stack._getReserveBottomImage class GoldMine(Klondike): RowStack_Class = GoldMine_RowStack def createGame(self): Klondike.createGame(self, max_rounds=1, num_deal=3) def startGame(self): self.startDealSample() self.s.talon.dealCards() # ************************************************************************ # * Lucky Thirteen # * Lucky Piles # ************************************************************************ class LuckyThirteen(Game): Hint_Class = CautiousDefaultHint RowStack_Class = StackWrapper(RK_RowStack, base_rank=NO_RANK) def createGame(self, xoffset=0, playcards=0): lay, s = Layout(self), self.s if xoffset: xoffset = lay.XOFFSET w0 = lay.XS+playcards*lay.XOFFSET self.setSize(lay.XM + 5*w0, lay.YM+4*lay.YS) x, y = lay.XM, lay.YM+lay.YS for i in range(5): stack = self.RowStack_Class(x, y, self, max_move=1) s.rows.append(stack) stack.CARD_XOFFSET = xoffset stack.CARD_YOFFSET = 0 x += w0 x, y = lay.XM+w0, lay.YM+2*lay.YS for i in range(3): stack = self.RowStack_Class(x, y, self, max_move=1) s.rows.append(stack) stack.CARD_XOFFSET = xoffset stack.CARD_YOFFSET = 0 x += w0 x, y = lay.XM, lay.YM+3*lay.YS for i in range(5): stack = self.RowStack_Class(x, y, self, max_move=1) s.rows.append(stack) stack.CARD_XOFFSET = xoffset stack.CARD_YOFFSET = 0 x += w0 x, y = (self.width-4*lay.XS)//2, lay.YM for i in range(4): s.foundations.append(SS_FoundationStack(x, y, self, suit=i)) x += lay.XS x, y = lay.XM, self.height-lay.YS s.talon = InitialDealTalonStack(x, y, self, max_rounds=1) lay.defaultStackGroups() def startGame(self): self._startDealNumRowsAndDealSingleRow(3) shallHighlightMatch = Game._shallHighlightMatch_RK class LuckyPiles(LuckyThirteen): RowStack_Class = StackWrapper(UD_SS_RowStack, base_rank=KING) def createGame(self): LuckyThirteen.createGame(self, xoffset=1, playcards=7) shallHighlightMatch = Game._shallHighlightMatch_SS # ************************************************************************ # * Legion # ************************************************************************ class Legion(Klondike): def createGame(self): Klondike.createGame(self, max_rounds=1, rows=8) def startGame(self): self.startDealSample() self.s.talon.dealRow() for i in (1, 2, 3): self.s.talon.dealRow(rows=self.s.rows[i:-i], flip=0) self.s.talon.dealRow(rows=self.s.rows[i:-i]) self.s.talon.dealCards() # ************************************************************************ # * Big Bertha # ************************************************************************ class BigBertha(Game): def createGame(self): lay, s = Layout(self), self.s self.setSize(lay.XM+15*lay.XS, lay.YM+3*lay.YS+15*lay.YOFFSET) x, y = lay.XM, lay.YM s.talon = InitialDealTalonStack(x, y, self) x, y = lay.XM+3.5*lay.XS, lay.YM for i in range(8): s.foundations.append(SS_FoundationStack(x, y, self, suit=i % 4, max_cards=12)) x += lay.XS x, y = lay.XM, lay.YM+lay.YS for i in range(15): s.rows.append(AC_RowStack(x, y, self)) x += lay.XS x, y = lay.XM, self.height-lay.YS for i in range(14): s.reserves.append(OpenStack(x, y, self, max_accept=0)) x += lay.XS s.foundations.append(RK_FoundationStack(x, y, self, suit=ANY_SUIT, base_rank=KING, dir=0, max_cards=8)) lay.defaultStackGroups() def startGame(self): self._startDealNumRows(5) self.s.talon.dealRow() self.s.talon.dealRow(rows=self.s.reserves) shallHighlightMatch = Game._shallHighlightMatch_AC # ************************************************************************ # * Athena # ************************************************************************ class Athena(Klondike): def startGame(self): self.s.talon.dealRow(frames=0, flip=0) self.s.talon.dealRow(frames=0) self.s.talon.dealRow(frames=0, flip=0) self.startDealSample() self.s.talon.dealRow() self.s.talon.dealCards() # ************************************************************************ # * Kingsley # ************************************************************************ class Kingsley(Klondike): Foundation_Class = StackWrapper(SS_FoundationStack, base_rank=KING, dir=-1) RowStack_Class = StackWrapper(KingAC_RowStack, base_rank=ACE, dir=1) def createGame(self): Klondike.createGame(self, max_rounds=1) # ************************************************************************ # * Scarp # ************************************************************************ class Scarp(Klondike): Talon_Class = DealRowTalonStack RowStack_Class = AC_RowStack def createGame(self): Klondike.createGame(self, max_rounds=1, rows=13, waste=0, playcards=28) def startGame(self): Klondike.startGame(self, flip=1) # ************************************************************************ # * Eight Sages # ************************************************************************ class EightSages_Row(AC_RowStack): def acceptsCards(self, from_stack, cards): if not AC_RowStack.acceptsCards(self, from_stack, cards): return False return from_stack is self.game.s.waste class EightSages(Klondike): RowStack_Class = EightSages_Row def createGame(self): lay = Klondike.createGame(self, max_rounds=2, rows=8, playcards=12, round_text=True) lay.createRoundText(self.s.talon, 'ne', dx=lay.XS) def startGame(self): self.startDealSample() self.s.talon.dealRow() self.s.talon.dealCards() # ************************************************************************ # * Guardian # ************************************************************************ class Guardian_RowStack(AC_RowStack): STEP = (3, 3, 3, 4, 4, 4, 4) def basicIsBlocked(self): r, step = self.game.s.rows, self.STEP i, n, mylen = self.id, 1, len(step) while i < mylen: i = i + step[i] n = n + 1 for j in range(i, i + n): if r[j].cards: return True return False def acceptsCards(self, from_stack, cards): if len(self.cards) == 0 and self.id > 2: return False return AC_RowStack.acceptsCards(self, from_stack, cards) class Guardian(Game): def createGame(self): lay, s = Layout(self), self.s self.setSize((7 * lay.XS) + lay.XM, (2.5 * lay.YS) + (13 * lay.YOFFSET) + lay.YM) # create stacks for i in range(3): x = lay.XM + (4 - i) * lay.XS // 2 y = lay.YM + lay.TEXT_HEIGHT + lay.YS + i * lay.YS // 4 for j in range(i + 3): s.rows.append(Guardian_RowStack(x, y, self)) x = x + lay.XS x, y = lay.XM, lay.YM s.talon = WasteTalonStack(x, y, self, max_rounds=-1, num_deal=3) lay.createText(s.talon, "s") x += lay.XS s.waste = WasteStack(x, y, self) lay.createText(s.waste, "s") x += lay.XS for i in range(4): x += lay.XS s.foundations.append(SS_FoundationStack(x, y, self, i, mod=13, max_move=0)) lay.defaultStackGroups() def startGame(self): self.startDealSample() self.s.talon.dealRow(rows=self.s.rows[:7], flip=0) self.s.talon.dealRow(rows=self.s.rows[7:]) self.s.talon.dealCards() # deal first card to WasteStack # register the game registerGame(GameInfo(2, Klondike, "Klondike", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED, altnames=("Classic Solitaire", "American Patience"))) registerGame(GameInfo(61, CasinoKlondike, "Casino Klondike", GI.GT_KLONDIKE | GI.GT_SCORE, 1, 2, GI.SL_BALANCED)) registerGame(GameInfo(129, VegasKlondike, "Vegas Klondike", GI.GT_KLONDIKE | GI.GT_SCORE, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(18, KlondikeByThrees, "Klondike by Threes", GI.GT_KLONDIKE, 1, -1, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(58, ThumbAndPouch, "Thumb and Pouch", GI.GT_KLONDIKE, 1, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(67, Whitehead, "Whitehead", GI.GT_KLONDIKE, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(39, SmallHarp, "Small Harp", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED, altnames=("Die kleine Harfe",))) registerGame(GameInfo(66, Eastcliff, "Eastcliff", GI.GT_KLONDIKE, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(224, Easthaven, "Easthaven", GI.GT_GYPSY, 1, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(33, Westcliff, "Westcliff", GI.GT_KLONDIKE, 1, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(225, Westhaven, "Westhaven", GI.GT_GYPSY, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(107, PasSeul, "Pas Seul", GI.GT_KLONDIKE, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(81, BlindAlleys, "Blind Alleys", GI.GT_KLONDIKE, 1, 1, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(215, Somerset, "Somerset", GI.GT_BELEAGUERED_CASTLE | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(231, Canister, "Canister", GI.GT_BELEAGUERED_CASTLE | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(229, AgnesSorel, "Agnes Sorel", GI.GT_GYPSY, 1, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(4, EightTimesEight, "8 x 8", GI.GT_KLONDIKE, 2, -1, GI.SL_BALANCED)) registerGame(GameInfo(127, AchtmalAcht, "Eight Times Eight", GI.GT_KLONDIKE, 2, 2, GI.SL_BALANCED, altnames=("Achtmal Acht",))) registerGame(GameInfo(133, Batsford, "Batsford", GI.GT_KLONDIKE, 2, 0, GI.SL_BALANCED)) registerGame(GameInfo(221, Stonewall, "Stonewall", GI.GT_RAGLAN, 1, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(222, FlowerGarden, "Flower Garden", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL, altnames=("The Bouquet", "The Garden",))) registerGame(GameInfo(233, KingAlbert, "King Albert", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL, altnames=("Idiot's Delight",))) registerGame(GameInfo(232, Raglan, "Raglan", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(223, Brigade, "Brigade", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(230, Jane, "Jane", GI.GT_RAGLAN, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(236, AgnesBernauer, "Agnes Bernauer", GI.GT_RAGLAN, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(263, Phoenix, "Phoenix", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(283, Jumbo, "Jumbo", GI.GT_KLONDIKE, 2, 1, GI.SL_BALANCED)) registerGame(GameInfo(333, OpenJumbo, "Open Jumbo", GI.GT_KLONDIKE, 2, 1, GI.SL_BALANCED)) registerGame(GameInfo(326, Lanes, "Lanes", GI.GT_KLONDIKE, 1, 1, GI.SL_BALANCED)) registerGame(GameInfo(327, ThirtySix, "Thirty Six", GI.GT_KLONDIKE, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(350, Q_C_, "Q.C.", GI.GT_KLONDIKE, 2, 1, GI.SL_BALANCED)) registerGame(GameInfo(361, NorthwestTerritory, "Northwest Territory", GI.GT_RAGLAN, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(362, Morehead, "Morehead", GI.GT_BELEAGUERED_CASTLE | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(388, Senate, "Senate", GI.GT_RAGLAN, 2, 0, GI.SL_BALANCED)) registerGame(GameInfo(389, SenatePlus, "Senate +", GI.GT_RAGLAN, 2, 0, GI.SL_BALANCED)) registerGame(GameInfo(390, Arizona, "Arizona", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(407, AuntMary, "Aunt Mary", GI.GT_KLONDIKE, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(420, DoubleDot, "Double Dot", GI.GT_1DECK_TYPE, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(434, SevenDevils, "Seven Devils", GI.GT_RAGLAN, 2, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(452, DoubleEasthaven, "Double Easthaven", GI.GT_GYPSY, 2, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(453, TripleEasthaven, "Triple Easthaven", GI.GT_GYPSY, 3, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(470, MovingLeft, "Moving Left", GI.GT_KLONDIKE, 2, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(471, Souter, "Souter", GI.GT_KLONDIKE, 2, 1, GI.SL_BALANCED)) registerGame(GameInfo(473, BigForty, "Big Forty", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED)) registerGame(GameInfo(474, AliBaba, "Ali Baba", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED)) registerGame(GameInfo(475, Cassim, "Cassim", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED)) registerGame(GameInfo(479, Saratoga, "Saratoga", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED)) registerGame(GameInfo(491, Whitehorse, "Whitehorse", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED)) registerGame(GameInfo(518, Boost, "Boost", GI.GT_KLONDIKE | GI.GT_ORIGINAL, 1, 2, GI.SL_BALANCED)) registerGame(GameInfo(522, ArticGarden, "Artic Garden", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(532, GoldRush, "Gold Rush", GI.GT_KLONDIKE, 1, 2, GI.SL_BALANCED)) registerGame(GameInfo(539, Usk, "Usk", GI.GT_KLONDIKE | GI.GT_OPEN, 1, 1, GI.SL_BALANCED)) registerGame(GameInfo(541, BatsfordAgain, "Batsford Again", GI.GT_KLONDIKE, 2, 1, GI.SL_BALANCED)) registerGame(GameInfo(572, GoldMine, "Gold Mine", GI.GT_NUMERICA, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(585, LuckyThirteen, "Lucky Thirteen", GI.GT_1DECK_TYPE, 1, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(586, LuckyPiles, "Lucky Piles", GI.GT_FAN_TYPE | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(601, AmericanCanister, "American Canister", GI.GT_BELEAGUERED_CASTLE | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(602, BritishCanister, "British Canister", GI.GT_BELEAGUERED_CASTLE | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(607, Legion, "Legion", GI.GT_KLONDIKE, 1, 0, GI.SL_BALANCED)) registerGame(GameInfo(627, QueenVictoria, "Queen Victoria", GI.GT_RAGLAN | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(630, BigBertha, "Big Bertha", GI.GT_RAGLAN | GI.GT_OPEN, 2, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(633, Athena, "Athena", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED)) registerGame(GameInfo(634, Chinaman, "Chinaman", GI.GT_KLONDIKE, 1, 1, GI.SL_BALANCED)) registerGame(GameInfo(651, EightByEight, "Eight by Eight", GI.GT_KLONDIKE, 2, 2, GI.SL_BALANCED)) registerGame(GameInfo(667, Kingsley, "Kingsley", GI.GT_KLONDIKE, 1, 0, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(669, Scarp, "Scarp", GI.GT_GYPSY | GI.GT_ORIGINAL, 3, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(726, EightSages, "Eight Sages", GI.GT_KLONDIKE, 2, 1, GI.SL_MOSTLY_LUCK)) registerGame(GameInfo(821, Trigon, "Trigon", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED)) registerGame(GameInfo(849, RelaxedRaglan, "Relaxed Raglan", GI.GT_RAGLAN | GI.GT_RELAXED | GI.GT_OPEN, 1, 0, GI.SL_MOSTLY_SKILL)) registerGame(GameInfo(852, Guardian, "Guardian", GI.GT_KLONDIKE, 1, -1, GI.SL_BALANCED))
shlomif/PySolFC
pysollib/games/klondike.py
Python
gpl-3.0
55,884
[ "CASINO" ]
193afc70cd2573d70c69a8ec41ec4ffa9408ce59e764d3671f52ab2ef9346957
# Copyright 2018 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. """Unit tests for translation_helper.py.""" import unittest import os import sys # pylint: disable=relative-import import translation_helper here = os.path.realpath(__file__) testdata_path = os.path.normpath(os.path.join(here, '..', '..', 'testdata')) class TcHelperTest(unittest.TestCase): def test_get_translatable_grds(self): grds = translation_helper.get_translatable_grds( testdata_path, ['test.grd', 'not_translated.grd', 'internal.grd'], os.path.join(testdata_path, 'translation_expectations_without_unlisted_file.pyl')) self.assertEqual(1, len(grds)) # There should be no references to not_translated.grd (mentioning the # filename here so that it doesn't appear unused). grd = grds[0] self.assertEqual(os.path.join(testdata_path, 'test.grd'), grd.path) self.assertEqual(testdata_path, grd.dir) self.assertEqual('test.grd', grd.name) self.assertEqual([os.path.join(testdata_path, 'part.grdp')], grd.grdp_paths) self.assertEqual([], grd.structure_paths) self.assertEqual([os.path.join(testdata_path, 'test_en-GB.xtb')], grd.xtb_paths) self.assertEqual({'en-GB': os.path.join(testdata_path, 'test_en-GB.xtb')}, grd.lang_to_xtb_path) self.assertTrue(grd.appears_translatable) self.assertEquals(['en-GB'], grd.expected_languages) # The expectations list an untranslatable file (not_translated.grd), but the # grd list doesn't contain it. def test_missing_untranslatable(self): TRANSLATION_EXPECTATIONS = os.path.join( testdata_path, 'translation_expectations_without_unlisted_file.pyl') with self.assertRaises(Exception) as context: translation_helper.get_translatable_grds( testdata_path, ['test.grd', 'internal.grd'], TRANSLATION_EXPECTATIONS) self.assertEqual( '%s needs to be updated. Please fix these issues:\n' ' - not_translated.grd is listed in the translation expectations, ' 'but this grd file does not exist.' % TRANSLATION_EXPECTATIONS, context.exception.message) # The expectations list an internal file (internal.grd), but the grd list # doesn't contain it. def test_missing_internal(self): TRANSLATION_EXPECTATIONS = os.path.join( testdata_path, 'translation_expectations_without_unlisted_file.pyl') with self.assertRaises(Exception) as context: translation_helper.get_translatable_grds( testdata_path, ['test.grd', 'not_translated.grd'], TRANSLATION_EXPECTATIONS) self.assertEqual( '%s needs to be updated. Please fix these issues:\n' ' - internal.grd is listed in translation expectations as an internal ' 'file to be ignored, but this grd file does not exist.' % TRANSLATION_EXPECTATIONS, context.exception.message) # The expectations list a translatable file (test.grd), but the grd list # doesn't contain it. def test_missing_translatable(self): TRANSLATION_EXPECTATIONS = os.path.join( testdata_path, 'translation_expectations_without_unlisted_file.pyl') with self.assertRaises(Exception) as context: translation_helper.get_translatable_grds( testdata_path, ['not_translated.grd', 'internal.grd'], TRANSLATION_EXPECTATIONS) self.assertEqual( '%s needs to be updated. Please fix these issues:\n' ' - test.grd is listed in the translation expectations, but this grd ' 'file does not exist.' % TRANSLATION_EXPECTATIONS, context.exception.message) # The grd list contains a file (part.grdp) that's not listed in translation # expectations. def test_expectations_not_updated(self): TRANSLATION_EXPECTATIONS = os.path.join( testdata_path, 'translation_expectations_without_unlisted_file.pyl') with self.assertRaises(Exception) as context: translation_helper.get_translatable_grds( testdata_path, ['test.grd', 'part.grdp', 'not_translated.grd', 'internal.grd'], TRANSLATION_EXPECTATIONS) self.assertEqual( '%s needs to be updated. Please fix these issues:\n' ' - part.grdp appears to be translatable (because it contains <file> ' 'or <message> elements), but is not listed in the translation ' 'expectations.' % TRANSLATION_EXPECTATIONS, context.exception.message) if __name__ == '__main__': unittest.main()
endlessm/chromium-browser
tools/translation/helper/translation_helper_unittest.py
Python
bsd-3-clause
4,575
[ "xTB" ]
6a38e3ac74815eb3cc790bce0f6205934c7aa221375bb6bbeb005c4a801d918c
from sklearn.linear_model import LinearRegression import numpy as np import matplotlib.pyplot as plt from matplotlib import cm from sklearn.metrics import mean_squared_error # Fix the number of samples and our seed NUM_SAMPLES = 200 np.random.seed(42) # Our "true function" def f(x): return 1.5*x + 0.5 #Construct array of (x,f(x))-pairs where x is sampled randomly from unit interval data = np.array([[x,f(x) ] for x in np.random.random(NUM_SAMPLES)]) # Create regular grid of x values and the values of f gridx = np.linspace(0, 1, 200) gridy = np.array([f(x) for x in gridx]) # Add Gaussian noise with sigma=0.6 normaly = data[:,1]+0.6*np.random.randn(NUM_SAMPLES) #Plot the messy data plt.scatter(data[:,0], normaly ) plt.title("Scatter plot of synthetic data with normal errors") #Plot the true function plt.plot(gridx, gridy, label = "True function", color = 'Red') plt.legend(loc = 2) # Save and clear plt.savefig("scatter_normal.png") plt.cla() # Fit linear regressors to increasingly large intervals of data lm = LinearRegression() for i in range(1, NUM_SAMPLES+1): # Fit the regressor lm.fit(data[:i,0].reshape((i,1)), normaly[:i].reshape((i,1))) # Get the predictions on all of the sample points predictions = lm.predict(data[:,0].reshape(NUM_SAMPLES,1)) # Get MSE mse = mean_squared_error(predictions, normaly) # Plot the messy data plt.scatter(data[:,0], normaly) plt.title("Linear regression on {} points with normal error".format(i)) # Plot the true function plt.plot(gridx, gridy, label = "True function", color = 'Red') # Plot the regression line plt.plot(gridx, [lm.coef_[0] * x + lm.intercept_[0] for x in gridx], label = "Linear regressor line MSE = {:0.4f}".format(mse), color = 'Green') plt.legend(loc = 2) # Save and clear plt.savefig("linreg_normal_{:03d}.png".format(i)) plt.cla()
JustinNoel1/ML-Course
linear-regression/python/linreg.py
Python
apache-2.0
1,895
[ "Gaussian" ]
38a9db269d9ff296775f830134d6629e1ba0089ecc34f16622c1eeec58e742e2
#! /usr/bin/env python3 # Script to crawl the file system for changed files # # fs-crawler dirkpetersen / Oct 2019 # import sys, os, argparse, subprocess, re, time, datetime, tempfile, random, threading, filecmp class KeyboardInterruptError(Exception): pass def main(): #log = logger('fs-crawler', args.debug) #log.info('starting to check folder %s for files older than %s days...' % (args.folder, args.days)) #log.debug('Parsed arguments: %s' % args) start = time.time() interval = 1 maxinterval = 10 lastcheck = 0 lastt = 0 currdir = os.getcwd() curruser = os.getlogin() #pwd.getpwuid(os.getuid()).pw_name tmpdir = tempfile.gettempdir() days_back_as_secs = time.time() - (args.days * 24 * 3600) days_back_datestr = str(datetime.date.today() + datetime.timedelta(args.days * -1)) # e.g. '2014-07-01' filedict = {} # list of files to delete (grouped by key uid) infodict = {} # contains list per uid: numfiles, sizefiles, numwarnfiles, sizewarnfiles if args.folder == '/': print('root folder not allowed !') return False numfiles=0 numfolders=0 for root, folders, files in mywalk(args.folder,noparallel=args.noparallel): #print(root) #for folder in folders: #print ('...folder:%s' % folder) # check if the user wanted to archive numfolders+=1 numfiles+=len(files) check = time.time() if lastcheck+interval<check: t=numfolders+numfiles print ("folders: %s, files: %s, avg objects/s: %s, last objects/s: %s, current path: %s" % (numfolders, numfiles, "{0:.0f}".format(t/(check-start)), "{0:.0f}".format((t-lastt)/(check-lastcheck)), root)) lastcheck=check lastt=t interval+=1 if maxinterval<=interval: interval=maxinterval if args.target: troot = root.replace(args.folder,args.target) if os.path.exists(troot): dc = filecmp.dircmp(root, root.replace(args.folder,args.target), ignore=['.snapshot']) if dc.left_list: print ('*** Copy -> :', dc.left_list) elif dc.right_list: print ('*** Delete -> :', dc.right_list) continue for f in files: p=os.path.join(root,f) if args.nostat: continue stat=getstat(p) if not stat: continue recent_time = stat.st_ctime if stat.st_mtime > recent_time: recent_time = stat.st_mtime if stat.st_uid not in infodict: infodict[stat.st_uid] = [0, 0, 0, 0] if recent_time >= days_back_as_secs: if stat.st_uid not in filedict: filedict[stat.st_uid] = list() filedict[stat.st_uid].append(p) infodict[stat.st_uid][0]+=1 infodict[stat.st_uid][1]+=stat.st_size infodict[stat.st_uid][2]+=1 infodict[stat.st_uid][3]+=stat.st_size for k, v in filedict.items(): user=uid2user(k) random.shuffle(v) fn=len(v) if fn>30: fn=30 print("\n ##### FILES <= %s DAYS OLD ##########################################################" % args.days) print("Total of %s files (%s GB total) owned by '%s'" % (infodict[k][0], "{0:.3f}".format(infodict[k][1]/float(1073741824)), user)) print('List of files that would have been backed up (max 30 randomly selected files):') for i in range(fn): print(v[i]) end = time.time() print("\nTotal Time: %s sec (%s min)" % ("{0:.1f}".format(end-start),"{0:.1f}".format((end-start)/60))) def startswithpath(pathlist, pathstr): """ checks if at least one of the paths in a list of paths starts with a string """ for path in pathlist: if (os.path.join(pathstr, '')).startswith(path): return True return False def getstartpath(pathlist, pathstr): """ return the path from pathlist that is the frist part of pathstr""" for path in pathlist: if (os.path.join(pathstr, '')).startswith(path): return path return '' def getstat(path): """ returns the stat information of a file""" statinfo=None try: statinfo=os.lstat(path) except (IOError, OSError) as e: # FileNotFoundError only since python 3.3 if args.debug: sys.stderr.write(str(e)) except: raise return statinfo def setfiletime(path,attr="atime"): """ sets the a time of a file to the current time """ try: statinfo=getstat(path) if attr=="atime" or attr=="all": os.utime(path,(time.time(),statinfo.st_atime)) if attr=="mtime" or attr=="all": os.utime(path,(time.time(),statinfo.st_mtime)) return True except Exception as err: sys.stderr.write(str(err)) sys.stderr.write('\n') return False def uid2user(uidNumber): """ attempts to convert uidNumber to username """ try: import pwd return pwd.getpwuid(int(uidNumber)).pw_name except Exception as err: sys.stderr.write(str(err)) sys.stderr.write('\n') return str(uidNumber) def list2file(mylist,path): """ dumps a list into a text file, one line per item""" try: with open(path,'w') as f: for item in mylist: f.write("{}\r\n".format(item)) return True except Exception as err: sys.stderr.write(str(err)) sys.stderr.write('\n') return False def pathlist2file(mylist,path,root): """ dumps a list into a text file, one line per item, but removes a root folder from all paths. Used for --files-from feature in rsync""" try: with open(path,'w') as f: for item in mylist: f.write("{}\r\n".format(item[len(root):])) return True except Exception as err: sys.stderr.write(str(err)) sys.stderr.write('\n') return False def mywalk(top, noparallel=False, skipdirs=['.snapshot',]): """ returns subset of os.walk """ if noparallel: for root, dirs, files in os.walk(top,topdown=True,onerror=walkerr): for skipdir in skipdirs: if skipdir in dirs: dirs.remove(skipdir) # don't visit this directory yield root, dirs, files else: for root, dirs, files in walk(top): for skipdir in skipdirs: if skipdir in dirs: dirs.remove(skipdir) # don't visit this directory yield root, dirs, files def walkerr(oserr): sys.stderr.write(str(oserr)) sys.stderr.write('\n') return 0 def walk(top, threads=36): """Multi-threaded version of os.walk(). from here: https://gist.github.com/jart/0a71cde3ca7261f77080a3625a21672b This routine provides multiple orders of a magnitude performance improvement when top is mapped to a network filesystem where i/o operations are slow, but unlimited. For spinning disks it should still run faster regardless of thread count because it uses a LIFO scheduler that guarantees locality. For SSDs it will go tolerably slower. The more exotic coroutine features of os.walk() can not be supported, such as the ability to selectively inhibit recursion by mutating subdirs. Args: top: Path of parent directory to search recursively. threads: Size of fixed thread pool. Yields: A (path, subdirs, files) tuple for each directory within top, including itself. These tuples come in no particular order; however, the contents of each tuple itself is sorted. """ if not os.path.isdir(top): return lock = threading.Lock() on_input = threading.Condition(lock) on_output = threading.Condition(lock) state = {'tasks': 1} paths = [top] output = [] def worker(): while True: with lock: while True: if not state['tasks']: output.append(None) on_output.notify() return if not paths: on_input.wait() continue path = paths.pop() break try: dirs = [] files = [] for item in os.listdir(path): #for item in sorted(os.listdir(path)) subpath = os.path.join(path, item) if os.path.isdir(subpath): dirs.append(item) with lock: state['tasks'] += 1 paths.append(subpath) on_input.notify() else: files.append(item) with lock: output.append((path, dirs, files)) on_output.notify() except OSError as e: print(e, file=sys.stderr) finally: with lock: state['tasks'] -= 1 if not state['tasks']: on_input.notifyAll() workers = [threading.Thread(target=worker, name="fastio.walk %d %s" % (i, top)) for i in range(threads)] for w in workers: w.start() while threads or output: # TODO(jart): Why is 'or output' necessary? with lock: while not output: on_output.wait() item = output.pop() if item: yield item else: threads -= 1 def send_mail(to, subject, text, attachments=[], cc=[], bcc=[], smtphost="", fromaddr=""): if sys.version_info[0] == 2: from email.MIMEMultipart import MIMEMultipart from email.MIMEBase import MIMEBase from email.MIMEText import MIMEText from email.Utils import COMMASPACE, formatdate from email import Encoders else: from email.mime.multipart import MIMEMultipart from email.mime.base import MIMEBase from email.mime.text import MIMEText from email.utils import COMMASPACE, formatdate from email import encoders as Encoders from string import Template import socket import smtplib if not isinstance(to,list): print("the 'to' parameter needs to be a list") return False if len(to)==0: print("no 'to' email addresses") return False myhost=socket.getfqdn() if smtphost == '': smtphost = get_mx_from_email_or_fqdn(myhost) if not smtphost: sys.stderr.write('could not determine smtp mail host !\n') if fromaddr == '': fromaddr = os.path.basename(__file__) + '-no-reply@' + \ '.'.join(myhost.split(".")[-2:]) #extract domain from host tc=0 for t in to: if '@' not in t: # if no email domain given use domain from local host to[tc]=t + '@' + '.'.join(myhost.split(".")[-2:]) tc+=1 message = MIMEMultipart() message['From'] = fromaddr message['To'] = COMMASPACE.join(to) message['Date'] = formatdate(localtime=True) message['Subject'] = subject message['Cc'] = COMMASPACE.join(cc) message['Bcc'] = COMMASPACE.join(bcc) body = Template('This is a notification message from $application, running on \n' + \ 'host $host. Please review the following message:\n\n' + \ '$notify_text\n\nIf output is being captured, you may find additional\n' + \ 'information in your logs.\n' ) host_name = socket.gethostname() full_body = body.substitute(host=host_name.upper(), notify_text=text, application=os.path.basename(__file__)) message.attach(MIMEText(full_body)) for f in attachments: part = MIMEBase('application', 'octet-stream') part.set_payload(open(f, 'rb').read()) Encoders.encode_base64(part) part.add_header('Content-Disposition', 'attachment; filename="%s"' % os.path.basename(f)) message.attach(part) addresses = [] for x in to: addresses.append(x) for x in cc: addresses.append(x) for x in bcc: addresses.append(x) smtp = smtplib.SMTP(smtphost) smtp.sendmail(fromaddr, addresses, message.as_string()) smtp.close() return True def get_mx_from_email_or_fqdn(addr): """retrieve the first mail exchanger dns name from an email address.""" # Match the mail exchanger line in nslookup output. MX = re.compile(r'^.*\s+mail exchanger = (?P<priority>\d+) (?P<host>\S+)\s*$') # Find mail exchanger of this email address or the current host if '@' in addr: domain = addr.rsplit('@', 2)[1] else: domain = '.'.join(addr.rsplit('.')[-2:]) p = os.popen('/usr/bin/nslookup -q=mx %s' % domain, 'r') mxes = list() for line in p: m = MX.match(line) if m is not None: mxes.append(m.group('host')[:-1]) #[:-1] just strips the ending dot if len(mxes) == 0: return '' else: return mxes[0] def logger(name=None, stderr=False): import logging, logging.handlers # levels: CRITICAL:50,ERROR:40,WARNING:30,INFO:20,DEBUG:10,NOTSET:0 if not name: name=__file__.split('/')[-1:][0] l=logging.getLogger(name) l.setLevel(logging.INFO) f=logging.Formatter('%(name)s: %(levelname)s:%(module)s.%(lineno)d: %(message)s') # logging to syslog s=logging.handlers.SysLogHandler('/dev/log') s.formatter = f l.addHandler(s) if stderr: l.setLevel(logging.DEBUG) # logging to stderr c=logging.StreamHandler() c.formatter = f l.addHandler(c) return l def parse_arguments(): """ Gather command-line arguments. """ parser = argparse.ArgumentParser(prog='fs-crawler', description=' walk the file system tree ' + \ ' ' + \ ' ') parser.add_argument( '--debug', '-g', dest='debug', action='store_true', help='show the actual shell commands that are executed (git, chmod, cd)', default=False ) parser.add_argument( '--no-parallel', '-p', dest='noparallel', action='store_true', help='just count files, no stat calls', default=False ) parser.add_argument( '--no-stat', '-n', dest='nostat', action='store_true', help='just count files, no stat calls', default=False ) parser.add_argument( '--suppress-emails', '-s', dest='suppress_emails', action='store_true', help='do not send any emails to end users', default=False ) parser.add_argument( '--email-notify', '-e', dest='email', action='store', help='notify this email address of any error ', default='' ) parser.add_argument( '--days', '-d', dest='days', action='store', type=int, help='remove files older than x days (default: 1461 days or 4 years) ', default=1461 ) parser.add_argument( '--folder', '-f', dest='folder', action='store', help='search this folder and below for files to remove') parser.add_argument( '--target', '-t', dest='target', action='store', help='targeet directory tree to sync to') args = parser.parse_args() if not args.folder: parser.error('required option --folder not given !') if args.debug: print('DEBUG: Arguments/Options: %s' % args) return args if __name__ == '__main__': # Parse command-line arguments args = parse_arguments() sys.exit(main())
FredHutch/sc-benchmark
fs-crawler.py
Python
apache-2.0
15,580
[ "VisIt" ]
8c1fe4dfdf20e5e7e93c17d1b9efef33f3d59ce45bee8cf33e97cfd510b56a7f
"""Bulk Al(fcc) test""" from ase import Atoms from ase.visualize import view from gpaw import GPAW, PW name = 'Al-fcc' a = 4.05 # fcc lattice paramter b = a / 2 bulk = Atoms('Al', cell=[[0, b, b], [b, 0, b], [b, b, 0]], pbc=True) view(bulk) k = 4 calc = GPAW(mode=PW(300), # cutoff kpts=(k, k, k), # k-points txt=name + '.txt') # output file bulk.set_calculator(calc) energy = bulk.get_potential_energy() calc.write(name + '.gpw') print 'Energy:', energy, 'eV'
robwarm/gpaw-symm
doc/exercises/aluminium/Al_fcc.py
Python
gpl-3.0
568
[ "ASE", "GPAW" ]
16854621683a6e7a45c75ad7171809892f6335f2426c9636721b3b05cbe8faab
import math import torch from ..constraints import Positive from ..lazy import MatmulLazyTensor, RootLazyTensor from .kernel import Kernel class SpectralDeltaKernel(Kernel): """ A kernel that supports spectral learning for GPs, where the underlying spectral density is modeled as a mixture of delta distributions (e.g., with point masses). This has been explored e.g. in Lazaro-Gredilla et al., 2010. Conceptually, this kernel is similar to random Fourier features as implemented in RFFKernel, but instead of sampling a Gaussian to determine the spectrum sites, they are treated as learnable parameters. When using CG for inference, this kernel supports linear space and time (in N) for training and inference. :param int num_dims: Dimensionality of input data that this kernel will operate on. Note that if active_dims is used, this should be the length of the active dim set. :param int num_deltas: Number of point masses to learn. """ has_lengthscale = True def __init__(self, num_dims, num_deltas=128, Z_constraint=None, batch_shape=torch.Size([]), **kwargs): Kernel.__init__(self, has_lengthscale=True, batch_shape=batch_shape, **kwargs) self.raw_Z = torch.nn.Parameter(torch.rand(*batch_shape, num_deltas, num_dims)) if Z_constraint: self.register_constraint("raw_Z", Z_constraint) else: self.register_constraint("raw_Z", Positive()) self.num_dims = num_dims def initialize_from_data(self, train_x, train_y): """ Initialize the point masses for this kernel from the empirical spectrum of the data. To do this, we estimate the empirical spectrum's CDF and then simply sample from it. This is analogous to how the SM kernel's mixture is initialized, but we skip the last step of fitting a GMM to the samples and just use the samples directly. """ import numpy as np from scipy.fftpack import fft from scipy.integrate import cumtrapz N = train_x.size(-2) emp_spect = np.abs(fft(train_y.cpu().detach().numpy())) ** 2 / N M = math.floor(N / 2) freq1 = np.arange(M + 1) freq2 = np.arange(-M + 1, 0) freq = np.hstack((freq1, freq2)) / N freq = freq[: M + 1] emp_spect = emp_spect[: M + 1] total_area = np.trapz(emp_spect, freq) spec_cdf = np.hstack((np.zeros(1), cumtrapz(emp_spect, freq))) spec_cdf = spec_cdf / total_area a = np.random.rand(self.raw_Z.size(-2), 1) p, q = np.histogram(a, spec_cdf) bins = np.digitize(a, q) slopes = (spec_cdf[bins] - spec_cdf[bins - 1]) / (freq[bins] - freq[bins - 1]) intercepts = spec_cdf[bins - 1] - slopes * freq[bins - 1] inv_spec = (a - intercepts) / slopes self.Z = inv_spec def initialize_from_data_simple(self, train_x, train_y, **kwargs): if not torch.is_tensor(train_x) or not torch.is_tensor(train_y): raise RuntimeError("train_x and train_y should be tensors") if train_x.ndimension() == 1: train_x = train_x.unsqueeze(-1) if train_x.ndimension() == 2: train_x = train_x.unsqueeze(0) train_x_sort = train_x.sort(1)[0] min_dist_sort = (train_x_sort[:, 1:, :] - train_x_sort[:, :-1, :]).squeeze(0) ard_num_dims = 1 if self.ard_num_dims is None else self.ard_num_dims min_dist = torch.zeros(1, ard_num_dims, dtype=self.Z.dtype, device=self.Z.device) for ind in range(ard_num_dims): min_dist[:, ind] = min_dist_sort[(torch.nonzero(min_dist_sort[:, ind]))[0], ind] z_init = torch.rand_like(self.Z).mul_(0.5).div_(min_dist) self.Z = z_init @property def Z(self): return self.raw_Z_constraint.transform(self.raw_Z) @Z.setter def Z(self, value): self._set_Z(value) def _set_Z(self, value): if not torch.is_tensor(value): value = torch.as_tensor(value).to(self.raw_Z) self.initialize(raw_Z=self.raw_Z_constraint.inverse_transform(value)) def forward(self, x1, x2, diag=False, **params): x1_ = x1.div(self.lengthscale) x2_ = x2.div(self.lengthscale) Z = self.Z # Z1_ and Z2_ are s x d x1z1 = x1_.matmul(Z.transpose(-2, -1)) # n x s x2z2 = x2_.matmul(Z.transpose(-2, -1)) # n x s x1z1 = x1z1 * 2 * math.pi x2z2 = x2z2 * 2 * math.pi x1z1 = torch.cat([x1z1.cos(), x1z1.sin()], dim=-1) / math.sqrt(x1z1.size(-1)) x2z2 = torch.cat([x2z2.cos(), x2z2.sin()], dim=-1) / math.sqrt(x2z2.size(-1)) if x1.size() == x2.size() and torch.equal(x1, x2): prod = RootLazyTensor(x1z1) else: prod = MatmulLazyTensor(x1z1, x2z2.transpose(-2, -1)) if diag: return prod.diag() else: return prod
jrg365/gpytorch
gpytorch/kernels/spectral_delta_kernel.py
Python
mit
4,931
[ "Gaussian" ]
1e47d7a4153179acab104678f8070ed1882b011d1b7845360b2db75e8e547a0f
import os import unittest from __main__ import vtk, qt, ctk, slicer # # WelcomeModuleTests # class WelcomeModuleTests: def __init__(self, parent): parent.title = "WelcomeModuleTests" # TODO make this more human readable by adding spaces parent.categories = ["Testing.TestCases"] parent.dependencies = [] parent.contributors = ["Johan Andruejol (Kitware)"] # replace with "Firstname Lastname (Org)" parent.helpText = """ """ parent.acknowledgementText = """TODO""" # replace with organization, grant and thanks. self.parent = parent # Add this test to the SelfTest module's list for discovery when the module # is created. Since this module may be discovered before SelfTests itself, # create the list if it doesn't already exist. try: slicer.selfTests except AttributeError: slicer.selfTests = {} slicer.selfTests['WelcomeModuleTests'] = self.runTest def runTest(self): tester = WelcomeModuleTestsTest() tester.runTests() # # qWelcomeModuleTestsTest # class WelcomeModuleTestsTest(unittest.TestCase): def delayDisplay(self,message,msec=1000): """This utility method displays a small dialog and waits. This does two things: 1) it lets the event loop catch up to the state of the test so that rendering and widget updates have all taken place before the test continues and 2) it shows the user/developer/tester the state of the test so that we'll know when it breaks. """ print(message) self.info = qt.QDialog() self.infoLayout = qt.QVBoxLayout() self.info.setLayout(self.infoLayout) self.label = qt.QLabel(message,self.info) self.infoLayout.addWidget(self.label) qt.QTimer.singleShot(msec, self.info.close) self.info.exec_() def getTestMethodNames(self): methods = [] for method in dir(self): if (callable(getattr(self, method)) and method.find('test_') != -1): methods.append(method) return methods def setUp(self): """ Do whatever is needed to reset the state - typically a scene clear will be enough. """ slicer.util.selectModule('Welcome') slicer.mrmlScene.Clear(0) def tearDown(self): slicer.util.selectModule('WelcomeModuleTests') def findWidget(self, widget, objectName): if widget.objectName == objectName: return widget else: children = [] for w in widget.children(): resulting_widget = self.findWidget(w, objectName) if resulting_widget: return resulting_widget return None def runTests(self): """Run as few or as many tests as needed here. """ for methodName in self.getTestMethodNames(): self.runTest(methodName) def runTest(self, method): self.setUp() getattr(self, method)() self.tearDown() def test_TestReturnToWelcome(self): self.delayDisplay('test_TestReturnToWelcome') # Find the return to welcome screen button mainWindow = slicer.util.mainWindow() returnToWelcomScreenPushButton = self.findWidget(mainWindow, 'ReturnToWelcomeScreenButton') slicer.util.selectModule(slicer.modules.volumes) returnToWelcomScreenPushButton.click() self.assertEqual(slicer.util.selectedModule(), 'Welcome') slicer.util.selectModule(slicer.modules.welcome) returnToWelcomScreenPushButton.click() self.assertEqual(slicer.util.selectedModule(), 'Welcome') self.delayDisplay('Test passed!') def test_TestHiddenWidget(self): self.delayDisplay('test_TestHiddenWidget') mainWindow = slicer.util.mainWindow() # Test hidden widgets self.assertFalse(mainWindow.moduleSelector().isVisible()) hiddenWidgetNames = ['CaptureToolBar', 'DialogToolBar', 'MainToolBar', 'ModuleToolBar', 'MouseModeToolBar', 'ViewersToolBar', 'ViewToolBar' ] for hiddenWidgetName in hiddenWidgetNames: w = self.findWidget(mainWindow, hiddenWidgetName) self.assertFalse(w.isVisible()) self.delayDisplay('Test passed!') def test_TestLayout(self): self.delayDisplay('test_TestLayout') self.assertEquals(slicer.app.layoutManager().layout, slicer.vtkMRMLLayoutNode.SlicerLayoutUserView) self.delayDisplay('Test passed!') # # qWelcomeModuleTestWidget # class WelcomeModuleTestsWidget(): def __init__(self, parent = None): if not parent: self.parent = slicer.qMRMLWidget() self.parent.setLayout(qt.QVBoxLayout()) self.parent.setMRMLScene(slicer.mrmlScene) else: self.parent = parent self.layout = self.parent.layout() if not parent: self.setup() self.parent.show() self.moduleName = 'WelcomeModuleTests' self.tester = WelcomeModuleTestsTest() def setup(self): # Instantiate and connect widgets ... # reload button # (use this during development, but remove it when delivering # your module to users) self.reloadButton = qt.QPushButton("Reload") self.reloadButton.toolTip = "Reload this module." self.reloadButton.name = "Tests Reload" self.layout.addWidget(self.reloadButton) self.reloadButton.connect('clicked()', self.onReload) # reload and test button # (use this during development, but remove it when delivering # your module to users) self.reloadAndTestButton = qt.QPushButton("Reload and Test") self.reloadAndTestButton.toolTip = "Reload this module and then run the self tests." self.layout.addWidget(self.reloadAndTestButton) self.reloadAndTestButton.connect('clicked()', self.onReloadAndTest) self.testButton = qt.QPushButton('Run Tests') self.layout.addWidget(self.testButton) self.testButton.connect('clicked(bool)', self.tester.runTests) # Add vertical spacer self.layout.addStretch(1) def onReload(self): """Generic reload method for any scripted module. ModuleWizard will subsitute correct default. """ globals()[self.moduleName] = slicer.util.reloadScriptedModule(self.moduleName) def onReloadAndTest(self): self.onReload() self.tester.runTests()
agirault/VesselView
Applications/App/Testing/Python/WelcomeModuleTests.py
Python
apache-2.0
6,219
[ "VTK" ]
d88ce26681edf0c7eff3c54664f5cefd291390bdfe331e3cbb8db46710941bb4
"""Test string and unicode support in VTK-Python The following string features have to be tested for string and unicode - Pass a string arg by value - Pass a string arg by reference - Return a string arg by value - Return a string arg by reference The following features are not supported - Pointers to strings, arrays of strings - Passing a string arg by reference and returning a value in it Created on May 12, 2010 by David Gobbi """ import sys import exceptions import vtk from vtk.test import Testing unicode_support = False try: unicode('hello') unicode_support = True except: print "unicode not supported on this python installation" class TestString(Testing.vtkTest): def testPassByValue(self): """Pass string by value... hard to find examples of this, because "const char *" methods shadow "vtkStdString" methods. """ self.assertEqual('y', 'y') def testReturnByValue(self): """Return a string by value.""" a = vtk.vtkArray.CreateArray(1, vtk.VTK_INT) a.Resize(1,1) a.SetDimensionLabel(0, 'x') s = a.GetDimensionLabel(0) self.assertEqual(s, 'x') def testPassByReference(self): """Pass a string by reference.""" a = vtk.vtkArray.CreateArray(0, vtk.VTK_STRING) a.SetName("myarray") s = a.GetName() self.assertEqual(s, "myarray") def testReturnByReference(self): """Return a string by reference.""" a = vtk.vtkStringArray() s = "hello" a.InsertNextValue(s) t = a.GetValue(0) self.assertEqual(t, s) def testPassAndReturnUnicodeByReference(self): """Pass a unicode string by const reference""" if not unicode_support: return a = vtk.vtkUnicodeStringArray() a.InsertNextValue(u'Fran\xe7ois') u = a.GetValue(0) self.assertEqual(u, u'Fran\xe7ois') def testPassStringAsUnicode(self): """Pass a string when unicode is expected. Should fail.""" if not unicode_support: return a = vtk.vtkUnicodeStringArray() self.assertRaises(exceptions.TypeError, a.InsertNextValue, ('Francois',)) def testPassUnicodeAsString(self): """Pass a unicode where a string is expected. Should succeed.""" if not unicode_support: return a = vtk.vtkStringArray() a.InsertNextValue(u'Francois') s = a.GetValue(0) self.assertEqual(s, 'Francois') if __name__ == "__main__": Testing.main([(TestString, 'test')])
timkrentz/SunTracker
IMU/VTK-6.2.0/Common/Core/Testing/Python/TestStrings.py
Python
mit
2,690
[ "VTK" ]
235cb224c741f6d293925a8731fc1feb6f6767e68a445958b1820f6461f8976d
import numpy as np import scipy.stats from scipy.optimize import approx_fprime from pyhmc import hmc def lnprob_gaussian(x, icov): logp = -np.dot(x, np.dot(icov, x)) / 2.0 grad = -np.dot(x, icov) return logp, grad def test_1(): # test sampling from a highly-correlated gaussian dim = 2 x0 = np.zeros(dim) cov = np.array([[1, 1.98], [1.98, 4]]) icov = np.linalg.inv(cov) samples, logp, diag = hmc(lnprob_gaussian, x0, args=(icov,), n_samples=10**4, n_burn=10**3, n_steps=10, epsilon=0.20, return_diagnostics=True, return_logp=True, random_state=2) C = np.cov(samples, rowvar=0, bias=1) np.testing.assert_array_almost_equal(cov, C, 1) for i in range(100): np.testing.assert_almost_equal( lnprob_gaussian(samples[i], icov)[0], logp[i]) def test_2(): # test that random state is used correctly dim = 2 x0 = np.zeros(dim) cov = np.array([[1, 1.98], [1.98, 4]]) icov = np.linalg.inv(cov) samples1 = hmc(lnprob_gaussian, x0, args=(icov,), n_samples=10, n_burn=0, n_steps=10, epsilon=0.25, return_diagnostics=False, random_state=0) samples2 = hmc(lnprob_gaussian, x0, args=(icov,), n_samples=10, n_burn=0, n_steps=10, epsilon=0.25, return_diagnostics=False, random_state=0) np.testing.assert_array_almost_equal(samples1, samples2) def test_3(): rv = scipy.stats.loggamma(c=1) eps = np.sqrt(np.finfo(float).resolution) def logprob(x): return rv.logpdf(x), approx_fprime(x, rv.logpdf, eps) samples = hmc(logprob, [0], epsilon=1, n_steps=10, window=3, persistence=True) # import matplotlib.pyplot as pp (osm, osr), (slope, intercept, r) = scipy.stats.probplot( samples[:,0], dist=rv, fit=True) assert r > 0.99 # pp.show()
rmcgibbo/pyhmc
pyhmc/tests/test_hmc.py
Python
bsd-3-clause
1,947
[ "Gaussian" ]
684cd3bf2be06da31ea77f049916808208d9613aea98a67bdf10055f045174b0
#!/usr/bin/env python #Original script from /home/james/work/encode/feature_partitions/split_by_partitions.py #Usage: python(2.4) split_by_partitions.py partition_index in_file out_file chrCol startCol endCol strandCol from __future__ import division import sys from galaxy import eggs import pkg_resources; pkg_resources.require( "bx-python" ) from bx.bitset import * from bx.bitset_builders import * assert sys.version_info[:2] >= ( 2, 4 ) def stop_err( msg ): sys.stderr.write( msg ) sys.exit() def main(): GALAXY_DATA_INDEX_DIR = sys.argv[1] partition_index = '%s/encode_feature_partitions/partition_list.txt' % GALAXY_DATA_INDEX_DIR partition_offset = "%s/encode_feature_partitions/" % GALAXY_DATA_INDEX_DIR warnings = [] # Load up the partitions partitions = list() try: for line in open( partition_index ): name, score, filename = line.split() partitions.append( ( name, score, binned_bitsets_from_file( open( partition_offset+filename ) ) ) ) except: stop_err( "Error loading partitioning dataset." ) try: in_file = open( sys.argv[2] ) except: stop_err( "Bad input data." ) try: out_file = open( sys.argv[3], "w" ) except: stop_err( "Bad output file." ) try: chrCol = int( sys.argv[4] ) - 1 except: stop_err( "Bad chr column: %s" % ( str( sys.argv[4] ) ) ) try: startCol = int( sys.argv[5] ) - 1 except: stop_err( "Bad start column: %s" % ( str( sys.argv[5] ) ) ) try: endCol = int( sys.argv[6] ) - 1 except: stop_err( "Bad end column: %s" % ( str( sys.argv[6] ) ) ) try: strandCol = int( sys.argv[7] )-1 except: strandCol = -1 line_count = 0 skipped_lines = 0 first_invalid_line = None invalid_line = '' try: for line in in_file: line_count += 1 line = line.rstrip( '\r\n' ) if line and not line.startswith( '#' ): fields = line.split( '\t' ) try: chr, start, end = fields[chrCol], int( fields[startCol] ), int( fields[endCol] ) except: skipped_lines += 1 if first_invalid_line is None: first_invalid_line = line_count invalid_line = line continue label = "input_line_" + str( line_count ) #if input file type was known to be bed, then could guess at label column if strandCol < 0: strand = "+" else: try: strand = fields[strandCol] except: strand = "+" # Find which partition it overlaps overlap = 0 for name, score, bb in partitions: # Is there at least 1bp overlap? if chr in bb: overlap = bb[chr].count_range( start, end-start ) if overlap > 0: break else: # No overlap with any partition? For now throw this since the # partitions tile the encode regions completely, indicate an interval # that does not even overlap an encode region warning = "warning: Interval (%s, %d, %d) does not overlap any partition" % ( chr, start, end ) + ", line[" + str( line_count ) + "]. " warnings.append( warning ) name = "no_overlap" score = 0 # Annotate with the name of the partition frac_overlap = overlap / ( end-start ) # BED6 plus? print >>out_file, "%s\t%d\t%d\t%s\t%s\t%s\t%s\t%0.4f" % ( chr, start, end, label, score, strand, name, frac_overlap ) except: out_file.close() in_file.close() stop_err( "Unknown error while processing line # %d: %s" % ( line_count, line ) ) out_file.close() in_file.close() if warnings: warn_msg = "This tool is useful on ENCODE regions only, %d warnings, 1st is: " % len( warnings ) warn_msg += warnings[0] print warn_msg if skipped_lines: print "Skipped %d invalid lines starting at line # %d: %s" % ( skipped_lines, first_invalid_line, invalid_line ) if __name__ == "__main__": main()
volpino/Yeps-EURAC
tools/encode/split_by_partitions.py
Python
mit
4,581
[ "Galaxy" ]
f1bb7326eedd03311127051b2ce9c412be6efbfc6f86fc4d8aef0ab72041f736
#!/usr/bin/env python # # Public Domain """ CairoSVG - A Simple SVG Converter Based on Cairo ================================================ CairoSVG is an SVG converter based on Cairo. It can convert SVG files to PDF, EPS, PS, and PNG files. For further information, please visit the `CairoSVG Website <http://cairosvg.org/>`_. """ import sys from setuptools import setup if sys.version_info.major < 3: raise RuntimeError( 'CairoSVG does not support Python 2.x anymore. ' 'Please use Python 3 or install an older version of CairoSVG.') setup()
Kozea/CairoSVG
setup.py
Python
lgpl-3.0
574
[ "VisIt" ]
24479ad9096dea79667ba79349c1ccd54e85da7127917b0be14bb45138031d6e
import os import sys import time as timer import math import traceback import Queue import multiprocessing import numpy as np import netCDF4 from paegan.location4d import Location4D from paegan.transport.utils.asatransport import AsaTransport from paegan.transport.shoreline import Shoreline from paegan.transport.bathymetry import Bathymetry from paegan.transport.exceptions import DataControllerError from paegan.cdm.dataset import CommonDataset from paegan.cdm.timevar import date2num from paegan.logger import logger class Consumer(multiprocessing.Process): def __init__(self, task_queue, result_queue, n_run, nproc_lock, active, get_data, **kwargs): """ This is the process class that does all the handling of queued tasks """ multiprocessing.Process.__init__(self, **kwargs) self.task_queue = task_queue self.result_queue = result_queue self.n_run = n_run self.nproc_lock = nproc_lock self.active = active self.get_data = get_data def run(self): while True: try: next_task = self.task_queue.get(True, 10) except Queue.Empty: logger.info("No tasks left to complete, closing %s" % self.name) break else: answer = (None, None) try: answer = (1, next_task(self.name, self.active)) except Exception: exc_type, exc_value, exc_traceback = sys.exc_info() logger.exception("Disabling Error") if isinstance(next_task, DataController): answer = (-2, "DataController") # Tell the particles that the DataController is releasing file self.get_data.value = False # The data controller has died, so don't process any more tasks self.active.value = False elif isinstance(next_task, ForceParticle): answer = (-1, next_task.part) else: logger.warn("Strange task raised an exception: %s" % str(next_task.__class__)) answer = (None, None) finally: self.result_queue.put(answer) self.nproc_lock.acquire() self.n_run.value = self.n_run.value - 1 self.nproc_lock.release() self.task_queue.task_done() class DataController(object): def __init__(self, hydrodataset, common_variables, n_run, get_data, write_lock, has_write_lock, read_lock, read_count, time_chunk, horiz_chunk, times, start_time, point_get, start, **kwargs): """ The data controller controls the updating of the local netcdf data cache """ assert "cache_path" in kwargs self.cache_path = kwargs["cache_path"] self.caching = kwargs.get("caching", True) self.hydrodataset = hydrodataset if self.cache_path == self.hydrodataset and self.caching is True: raise DataControllerError("Caching is set to True but the cache path and data path are the same. Refusing to overwrite the data path.") self.n_run = n_run self.get_data = get_data self.write_lock = write_lock self.has_write_lock = has_write_lock self.read_lock = read_lock self.read_count = read_count self.inds = None # np.arange(init_size+1) self.time_size = time_chunk self.horiz_size = horiz_chunk self.point_get = point_get self.start_time = start_time self.times = times self.start = start # Set common variable names self.uname = common_variables.get("u", None) self.vname = common_variables.get("v", None) self.wname = common_variables.get("w", None) self.temp_name = common_variables.get("temp", None) self.salt_name = common_variables.get("salt", None) self.xname = common_variables.get("x", None) self.yname = common_variables.get("y", None) self.zname = common_variables.get("z", None) self.tname = common_variables.get("time", None) def get_remote_data(self, localvars, remotevars, inds, shape): """ Method that does the updating of local netcdf cache with remote data """ # If user specifies 'all' then entire xy domain is # grabbed, default is 4, specified in the model_controller if self.horiz_size == 'all': y, y_1 = 0, shape[-2] x, x_1 = 0, shape[-1] else: r = self.horiz_size x, x_1 = self.point_get.value[2]-r, self.point_get.value[2]+r+1 y, y_1 = self.point_get.value[1]-r, self.point_get.value[1]+r+1 x, x_1 = x[0], x_1[0] y, y_1 = y[0], y_1[0] if y < 0: y = 0 if x < 0: x = 0 if y_1 > shape[-2]: y_1 = shape[-2] if x_1 > shape[-1]: x_1 = shape[-1] # Update domain variable for where we will add data domain = self.local.variables['domain'] if len(shape) == 4: domain[inds[0]:inds[-1]+1, 0:shape[1], y:y_1, x:x_1] = np.ones((inds[-1]+1-inds[0], shape[1], y_1-y, x_1-x)) elif len(shape) == 3: domain[inds[0]:inds[-1]+1, y:y_1, x:x_1] = np.ones((inds[-1]+1-inds[0], y_1-y, x_1-x)) # Update the local variables with remote data logger.debug("Filling cache with: Time - %s:%s, Lat - %s:%s, Lon - %s:%s" % (str(inds[0]), str(inds[-1]+1), str(y), str(y_1), str(x), str(x_1))) for local, remote in zip(localvars, remotevars): if len(shape) == 4: local[inds[0]:inds[-1]+1, 0:shape[1], y:y_1, x:x_1] = remote[inds[0]:inds[-1]+1, 0:shape[1], y:y_1, x:x_1] else: local[inds[0]:inds[-1]+1, y:y_1, x:x_1] = remote[inds[0]:inds[-1]+1, y:y_1, x:x_1] def __call__(self, proc, active): c = 0 self.dataset = CommonDataset.open(self.hydrodataset) self.remote = self.dataset.nc # Calculate the datetimes of the model timesteps like # the particle objects do, so we can figure out unique # time indices modelTimestep, newtimes = AsaTransport.get_time_objects_from_model_timesteps(self.times, start=self.start_time) timevar = self.dataset.gettimevar(self.uname) # Don't need to grab the last datetime, as it is not needed for forcing, only # for setting the time of the final particle forcing time_indexs = timevar.nearest_index(newtimes[0:-1], select='before') # Have to make sure that we get the plus 1 for the # linear interpolation of u,v,w,temp,salt self.inds = np.unique(time_indexs) self.inds = np.append(self.inds, self.inds.max()+1) # While there is at least 1 particle still running, # stay alive, if not break while self.n_run.value > 1: if self.caching is False: logger.debug("Caching is False, not doing much. Just hanging out until all of the particles finish.") timer.sleep(10) continue # If particle asks for data, do the following if self.get_data.value is True: logger.debug("Particle asked for data!") # Wait for particles to get out while True: self.read_lock.acquire() logger.debug("Read count: %d" % self.read_count.value) if self.read_count.value > 0: logger.debug("Waiting for write lock on cache file (particles must stop reading)...") self.read_lock.release() timer.sleep(2) else: break # Get write lock on the file. Already have read lock. self.write_lock.acquire() self.has_write_lock.value = os.getpid() if c == 0: logger.debug("Creating cache file") try: # Open local cache for writing, overwrites # existing file with same name self.local = netCDF4.Dataset(self.cache_path, 'w') indices = self.dataset.get_indices(self.uname, timeinds=[np.asarray([0])], point=self.start) self.point_get.value = [self.inds[0], indices[-2], indices[-1]] # Create dimensions for u and v variables self.local.createDimension('time', None) self.local.createDimension('level', None) self.local.createDimension('x', None) self.local.createDimension('y', None) # Create 3d or 4d u and v variables if self.remote.variables[self.uname].ndim == 4: self.ndim = 4 dimensions = ('time', 'level', 'y', 'x') coordinates = "time z lon lat" elif self.remote.variables[self.uname].ndim == 3: self.ndim = 3 dimensions = ('time', 'y', 'x') coordinates = "time lon lat" shape = self.remote.variables[self.uname].shape # If there is no FillValue defined in the dataset, use np.nan. # Sometimes it will work out correctly and other times we will # have a huge cache file. try: fill = self.remote.variables[self.uname].missing_value except Exception: fill = np.nan # Create domain variable that specifies # where there is data geographically/by time # and where there is not data, # Used for testing if particle needs to # ask cache to update domain = self.local.createVariable('domain', 'i', dimensions, zlib=False, fill_value=0) domain.coordinates = coordinates # Create local u and v variables u = self.local.createVariable('u', 'f', dimensions, zlib=False, fill_value=fill) v = self.local.createVariable('v', 'f', dimensions, zlib=False, fill_value=fill) v.coordinates = coordinates u.coordinates = coordinates localvars = [u, v, ] remotevars = [self.remote.variables[self.uname], self.remote.variables[self.vname]] # Create local w variable if self.wname is not None: w = self.local.createVariable('w', 'f', dimensions, zlib=False, fill_value=fill) w.coordinates = coordinates localvars.append(w) remotevars.append(self.remote.variables[self.wname]) if self.temp_name is not None and self.salt_name is not None: # Create local temp and salt vars temp = self.local.createVariable('temp', 'f', dimensions, zlib=False, fill_value=fill) salt = self.local.createVariable('salt', 'f', dimensions, zlib=False, fill_value=fill) temp.coordinates = coordinates salt.coordinates = coordinates localvars.append(temp) localvars.append(salt) remotevars.append(self.remote.variables[self.temp_name]) remotevars.append(self.remote.variables[self.salt_name]) # Create local lat/lon coordinate variables if self.remote.variables[self.xname].ndim == 2: lon = self.local.createVariable('lon', 'f', ("y", "x"), zlib=False) lon[:] = self.remote.variables[self.xname][:, :] lat = self.local.createVariable('lat', 'f', ("y", "x"), zlib=False) lat[:] = self.remote.variables[self.yname][:, :] if self.remote.variables[self.xname].ndim == 1: lon = self.local.createVariable('lon', 'f', ("x"), zlib=False) lon[:] = self.remote.variables[self.xname][:] lat = self.local.createVariable('lat', 'f', ("y"), zlib=False) lat[:] = self.remote.variables[self.yname][:] # Create local z variable if self.zname is not None: if self.remote.variables[self.zname].ndim == 4: z = self.local.createVariable('z', 'f', ("time", "level", "y", "x"), zlib=False) remotez = self.remote.variables[self.zname] localvars.append(z) remotevars.append(remotez) elif self.remote.variables[self.zname].ndim == 3: z = self.local.createVariable('z', 'f', ("level", "y", "x"), zlib=False) z[:] = self.remote.variables[self.zname][:, :, :] elif self.remote.variables[self.zname].ndim == 1: z = self.local.createVariable('z', 'f', ("level",), zlib=False) z[:] = self.remote.variables[self.zname][:] # Create local time variable time = self.local.createVariable('time', 'f8', ("time",), zlib=False) if self.tname is not None: time[:] = self.remote.variables[self.tname][self.inds] if self.point_get.value[0]+self.time_size > np.max(self.inds): current_inds = np.arange(self.point_get.value[0], np.max(self.inds)+1) else: current_inds = np.arange(self.point_get.value[0], self.point_get.value[0] + self.time_size) # Get data from remote dataset and add # to local cache. # Try 20 times on the first attempt current_attempt = 1 max_attempts = 20 while True: try: assert current_attempt <= max_attempts self.get_remote_data(localvars, remotevars, current_inds, shape) except AssertionError: raise except: logger.warn("DataController failed to get remote data. Trying again in 20 seconds. %s attemps left." % unicode(max_attempts-current_attempt)) exc_type, exc_value, exc_traceback = sys.exc_info() logger.warn("Data Access Error: " + repr(traceback.format_exception(exc_type, exc_value, exc_traceback))) timer.sleep(20) current_attempt += 1 else: break c += 1 except (StandardError, AssertionError): logger.error("DataController failed to get data (first request)") raise finally: self.local.sync() self.local.close() self.has_write_lock.value = -1 self.write_lock.release() self.get_data.value = False self.read_lock.release() logger.debug("Done updating cache file, closing file, and releasing locks") else: logger.debug("Updating cache file") try: # Open local cache dataset for appending self.local = netCDF4.Dataset(self.cache_path, 'a') # Create local and remote variable objects # for the variables of interest u = self.local.variables['u'] v = self.local.variables['v'] time = self.local.variables['time'] remoteu = self.remote.variables[self.uname] remotev = self.remote.variables[self.vname] # Create lists of variable objects for # the data updater localvars = [u, v, ] remotevars = [remoteu, remotev, ] if self.salt_name is not None and self.temp_name is not None: salt = self.local.variables['salt'] temp = self.local.variables['temp'] remotesalt = self.remote.variables[self.salt_name] remotetemp = self.remote.variables[self.temp_name] localvars.append(salt) localvars.append(temp) remotevars.append(remotesalt) remotevars.append(remotetemp) if self.wname is not None: w = self.local.variables['w'] remotew = self.remote.variables[self.wname] localvars.append(w) remotevars.append(remotew) if self.zname is not None: remotez = self.remote.variables[self.zname] if remotez.ndim == 4: z = self.local.variables['z'] localvars.append(z) remotevars.append(remotez) if self.tname is not None: # remotetime = self.remote.variables[self.tname] time[self.inds] = self.remote.variables[self.inds] if self.point_get.value[0]+self.time_size > np.max(self.inds): current_inds = np.arange(self.point_get.value[0], np.max(self.inds)+1) else: current_inds = np.arange(self.point_get.value[0], self.point_get.value[0] + self.time_size) # Get data from remote dataset and add # to local cache while True: try: self.get_remote_data(localvars, remotevars, current_inds, shape) except: logger.warn("DataController failed to get remote data. Trying again in 30 seconds") timer.sleep(30) else: break c += 1 except StandardError: logger.error("DataController failed to get data (not first request)") raise finally: self.local.sync() self.local.close() self.has_write_lock.value = -1 self.write_lock.release() self.get_data.value = False self.read_lock.release() logger.debug("Done updating cache file, closing file, and releasing locks") else: logger.debug("Particles are still running, waiting for them to request data...") timer.sleep(2) self.dataset.closenc() return "DataController" class ForceParticle(object): def __str__(self): return self.part.__str__() def __init__(self, hydrodataset, part, common_variables, timevar, times, start_time, models, release_location_centroid, usebathy, useshore, usesurface, get_data, n_run, read_lock, has_read_lock, read_count, point_get, data_request_lock, has_data_request_lock, reverse_distance=None, bathy=None, shoreline_path=None, shoreline_feature=None, time_method=None, caching=None): """ This is the task/class/object/job that forces an individual particle and communicates with the other particles and data controller for local cache updates """ assert "hydrodataset" is not None self.hydrodataset = hydrodataset self.bathy = bathy self.common_variables = common_variables self.release_location_centroid = release_location_centroid self.part = part self.times = times self.start_time = start_time self.models = models self.usebathy = usebathy self.useshore = useshore self.usesurface = usesurface self.get_data = get_data self.n_run = n_run self.read_lock = read_lock self.has_read_lock = has_read_lock self.read_count = read_count self.point_get = point_get self.data_request_lock = data_request_lock self.has_data_request_lock = has_data_request_lock self.shoreline_path = shoreline_path self.shoreline_feature = shoreline_feature self.timevar = timevar if caching is None: caching = True self.caching = caching # Set common variable names self.uname = common_variables.get("u", None) self.vname = common_variables.get("v", None) self.wname = common_variables.get("w", None) self.temp_name = common_variables.get("temp", None) self.salt_name = common_variables.get("salt", None) self.xname = common_variables.get("x", None) self.yname = common_variables.get("y", None) self.zname = common_variables.get("z", None) self.tname = common_variables.get("time", None) self.reverse_distance = reverse_distance if time_method is None: time_method = 'interp' self.time_method = time_method def need_data(self, i): """ Method to test if cache contains the data that the particle needs """ # If we are not caching, we always grab data from the raw source if self.caching is False: return False logger.debug("Checking cache for data availability at %s." % self.part.location.logstring()) try: # Tell the DataController that we are going to be reading from the file with self.read_lock: self.read_count.value += 1 self.has_read_lock.append(os.getpid()) self.dataset.opennc() # Test if the cache has the data we need # If the point we request contains fill values, # we need data cached_lookup = self.dataset.get_values('domain', timeinds=[np.asarray([i])], point=self.part.location) logger.debug("Type of result: %s" % type(cached_lookup)) logger.debug("Double mean of result: %s" % np.mean(np.mean(cached_lookup))) logger.debug("Type of Double mean of result: %s" % type(np.mean(np.mean(cached_lookup)))) if type(np.mean(np.mean(cached_lookup))) == np.ma.core.MaskedConstant: need = True logger.debug("I NEED data. Got back: %s" % cached_lookup) else: need = False logger.debug("I DO NOT NEED data") except StandardError: # If the time index doesnt even exist, we need need = True logger.debug("I NEED data (no time index exists in cache)") finally: self.dataset.closenc() with self.read_lock: self.read_count.value -= 1 self.has_read_lock.remove(os.getpid()) return need # return true if need data or false if dont def linterp(self, setx, sety, x): """ Linear interp of model data values between time steps """ if math.isnan(sety[0]) or math.isnan(setx[0]): return np.nan #if math.isnan(sety[0]): # sety[0] = 0. #if math.isnan(sety[1]): # sety[1] = 0. return sety[0] + (x - setx[0]) * ( (sety[1]-sety[0]) / (setx[1]-setx[0]) ) def data_interp(self, i, currenttime): """ Method to streamline request for data from cache, Uses linear interpolation bewtween timesteps to get u,v,w,temp,salt """ if self.active.value is True: while self.get_data.value is True: logger.debug("Waiting for DataController to release cache file so I can read from it...") timer.sleep(2) pass if self.need_data(i+1): # Acquire lock for asking for data self.data_request_lock.acquire() self.has_data_request_lock.value = os.getpid() try: # Do I still need data? if self.need_data(i+1): # Tell the DataController that we are going to be reading from the file with self.read_lock: self.read_count.value += 1 self.has_read_lock.append(os.getpid()) # Open netcdf file on disk from commondataset self.dataset.opennc() # Get the indices for the current particle location indices = self.dataset.get_indices('u', timeinds=[np.asarray([i-1])], point=self.part.location ) self.dataset.closenc() with self.read_lock: self.read_count.value -= 1 self.has_read_lock.remove(os.getpid()) # Override the time # get the current time index data self.point_get.value = [indices[0] + 1, indices[-2], indices[-1]] # Request that the data controller update the cache self.get_data.value = True # Wait until the data controller is done if self.active.value is True: while self.get_data.value is True: logger.debug("Waiting for DataController to update cache with the CURRENT time index") timer.sleep(2) pass # Do we still need to get the next timestep? if self.need_data(i+1): # get the next time index data self.point_get.value = [indices[0] + 2, indices[-2], indices[-1]] # Request that the data controller update the cache self.get_data.value = True # Wait until the data controller is done if self.active.value is True: while self.get_data.value is True: logger.debug("Waiting for DataController to update cache with the NEXT time index") timer.sleep(2) pass except StandardError: logger.warn("Particle failed to request data correctly") raise finally: # Release lock for asking for data self.has_data_request_lock.value = -1 self.data_request_lock.release() if self.caching is True: # Tell the DataController that we are going to be reading from the file with self.read_lock: self.read_count.value += 1 self.has_read_lock.append(os.getpid()) try: # Open the Cache netCDF file on disk self.dataset.opennc() # Grab data at time index closest to particle location u = [np.mean(np.mean(self.dataset.get_values('u', timeinds=[np.asarray([i])], point=self.part.location ))), np.mean(np.mean(self.dataset.get_values('u', timeinds=[np.asarray([i+1])], point=self.part.location )))] v = [np.mean(np.mean(self.dataset.get_values('v', timeinds=[np.asarray([i])], point=self.part.location ))), np.mean(np.mean(self.dataset.get_values('v', timeinds=[np.asarray([i+1])], point=self.part.location )))] # if there is vertical velocity inthe dataset, get it if 'w' in self.dataset.nc.variables: w = [np.mean(np.mean(self.dataset.get_values('w', timeinds=[np.asarray([i])], point=self.part.location ))), np.mean(np.mean(self.dataset.get_values('w', timeinds=[np.asarray([i+1])], point=self.part.location )))] else: w = [0.0, 0.0] # If there is salt and temp in the dataset, get it if self.temp_name is not None and self.salt_name is not None: temp = [np.mean(np.mean(self.dataset.get_values('temp', timeinds=[np.asarray([i])], point=self.part.location ))), np.mean(np.mean(self.dataset.get_values('temp', timeinds=[np.asarray([i+1])], point=self.part.location )))] salt = [np.mean(np.mean(self.dataset.get_values('salt', timeinds=[np.asarray([i])], point=self.part.location ))), np.mean(np.mean(self.dataset.get_values('salt', timeinds=[np.asarray([i+1])], point=self.part.location )))] # Check for nans that occur in the ocean (happens because # of model and coastline resolution mismatches) if np.isnan(u).any() or np.isnan(v).any() or np.isnan(w).any(): # Take the mean of the closest 4 points # If this includes nan which it will, result is nan uarray1 = self.dataset.get_values('u', timeinds=[np.asarray([i])], point=self.part.location, num=2) varray1 = self.dataset.get_values('v', timeinds=[np.asarray([i])], point=self.part.location, num=2) uarray2 = self.dataset.get_values('u', timeinds=[np.asarray([i+1])], point=self.part.location, num=2) varray2 = self.dataset.get_values('v', timeinds=[np.asarray([i+1])], point=self.part.location, num=2) if 'w' in self.dataset.nc.variables: warray1 = self.dataset.get_values('w', timeinds=[np.asarray([i])], point=self.part.location, num=2) warray2 = self.dataset.get_values('w', timeinds=[np.asarray([i+1])], point=self.part.location, num=2) w = [warray1.mean(), warray2.mean()] else: w = [0.0, 0.0] if self.temp_name is not None and self.salt_name is not None: temparray1 = self.dataset.get_values('temp', timeinds=[np.asarray([i])], point=self.part.location, num=2) saltarray1 = self.dataset.get_values('salt', timeinds=[np.asarray([i])], point=self.part.location, num=2) temparray2 = self.dataset.get_values('temp', timeinds=[np.asarray([i+1])], point=self.part.location, num=2) saltarray2 = self.dataset.get_values('salt', timeinds=[np.asarray([i+1])], point=self.part.location, num=2) temp = [temparray1.mean(), temparray2.mean()] salt = [saltarray1.mean(), saltarray2.mean()] u = [uarray1.mean(), uarray2.mean()] v = [varray1.mean(), varray2.mean()] # Linear interp of data between timesteps currenttime = date2num(currenttime) timevar = self.timevar.datenum u = self.linterp(timevar[i:i+2], u, currenttime) v = self.linterp(timevar[i:i+2], v, currenttime) w = self.linterp(timevar[i:i+2], w, currenttime) if self.temp_name is not None and self.salt_name is not None: temp = self.linterp(timevar[i:i+2], temp, currenttime) salt = self.linterp(timevar[i:i+2], salt, currenttime) if self.temp_name is None: temp = np.nan if self.salt_name is None: salt = np.nan except StandardError: logger.error("Error in data_interp method on ForceParticle") raise finally: # If caching is False, we don't have to close the dataset. We can stay in read-only mode. if self.caching is True: self.dataset.closenc() with self.read_lock: self.read_count.value -= 1 self.has_read_lock.remove(os.getpid()) return u, v, w, temp, salt def data_nearest(self, i, currenttime): """ Method to streamline request for data from cache, Uses nearest time to get u,v,w,temp,salt """ if self.active.value is True: while self.get_data.value is True: logger.debug("Waiting for DataController to release cache file so I can read from it...") timer.sleep(2) pass if self.need_data(i): # Acquire lock for asking for data self.data_request_lock.acquire() self.has_data_request_lock.value = os.getpid() try: if self.need_data(i): with self.read_lock: self.read_count.value += 1 self.has_read_lock.append(os.getpid()) # Open netcdf file on disk from commondataset self.dataset.opennc() # Get the indices for the current particle location indices = self.dataset.get_indices('u', timeinds=[np.asarray([i-1])], point=self.part.location ) self.dataset.closenc() with self.read_lock: self.read_count.value -= 1 self.has_read_lock.remove(os.getpid()) # Override the time self.point_get.value = [indices[0]+1, indices[-2], indices[-1]] # Request that the data controller update the cache # DATA CONTOLLER STARTS self.get_data.value = True # Wait until the data controller is done if self.active.value is True: while self.get_data.value is True: logger.debug("Waiting for DataController to update cache...") timer.sleep(2) pass except StandardError: raise finally: self.has_data_request_lock.value = -1 self.data_request_lock.release() # Tell the DataController that we are going to be reading from the file if self.caching is True: with self.read_lock: self.read_count.value += 1 self.has_read_lock.append(os.getpid()) try: # Open netcdf file on disk from commondataset self.dataset.opennc() # Grab data at time index closest to particle location u = np.mean(np.mean(self.dataset.get_values('u', timeinds=[np.asarray([i])], point=self.part.location ))) v = np.mean(np.mean(self.dataset.get_values('v', timeinds=[np.asarray([i])], point=self.part.location ))) # if there is vertical velocity inthe dataset, get it if 'w' in self.dataset.nc.variables: w = np.mean(np.mean(self.dataset.get_values('w', timeindsf=[np.asarray([i])], point=self.part.location ))) else: w = 0.0 # If there is salt and temp in the dataset, get it if self.temp_name is not None and self.salt_name is not None: temp = np.mean(np.mean(self.dataset.get_values('temp', timeinds=[np.asarray([i])], point=self.part.location ))) salt = np.mean(np.mean(self.dataset.get_values('salt', timeinds=[np.asarray([i])], point=self.part.location ))) # Check for nans that occur in the ocean (happens because # of model and coastline resolution mismatches) if np.isnan(u).any() or np.isnan(v).any() or np.isnan(w).any(): # Take the mean of the closest 4 points # If this includes nan which it will, result is nan uarray1 = self.dataset.get_values('u', timeinds=[np.asarray([i])], point=self.part.location, num=2) varray1 = self.dataset.get_values('v', timeinds=[np.asarray([i])], point=self.part.location, num=2) if 'w' in self.dataset.nc.variables: warray1 = self.dataset.get_values('w', timeinds=[np.asarray([i])], point=self.part.location, num=2) w = warray1.mean() else: w = 0.0 if self.temp_name is not None and self.salt_name is not None: temparray1 = self.dataset.get_values('temp', timeinds=[np.asarray([i])], point=self.part.location, num=2) saltarray1 = self.dataset.get_values('salt', timeinds=[np.asarray([i])], point=self.part.location, num=2) temp = temparray1.mean() salt = saltarray1.mean() u = uarray1.mean() v = varray1.mean() if self.temp_name is None: temp = np.nan if self.salt_name is None: salt = np.nan #logger.info(self.dataset.get_xyind_from_point('u', self.part.location, num=1)) except StandardError: logger.error("Error in data_nearest on ForceParticle") raise finally: # If caching is False, we don't have to close the dataset. We are in read only anyway. if self.caching is True: self.dataset.closenc() with self.read_lock: self.read_count.value -= 1 self.has_read_lock.remove(os.getpid()) return u, v, w, temp, salt def __call__(self, proc, active): self.active = active if self.usebathy is True: try: self._bathymetry = Bathymetry(file=self.bathy) except Exception: logger.exception("Could not load Bathymetry file: %s, using no Bathymetry for this run!" % self.bathy) self.usebathy = False self._shoreline = None if self.useshore is True: self._shoreline = Shoreline(path=self.shoreline_path, feature_name=self.shoreline_feature, point=self.release_location_centroid, spatialbuffer=0.25) # Make sure we are not starting on land. Raises exception if we are. self._shoreline.intersect(start_point=self.release_location_centroid, end_point=self.release_location_centroid) if self.active.value is True: while self.get_data.value is True: logger.info("Waiting for DataController to start...") timer.sleep(5) pass # Initialize commondataset of local cache, then # close the related netcdf file try: if self.caching is True: with self.read_lock: self.read_count.value += 1 self.has_read_lock.append(os.getpid()) self.dataset = CommonDataset.open(self.hydrodataset) self.dataset.closenc() except StandardError: logger.warn("No source dataset: %s. Particle exiting" % self.hydrodataset) raise finally: if self.caching is True: with self.read_lock: self.read_count.value -= 1 self.has_read_lock.remove(os.getpid()) # Calculate datetime at every timestep modelTimestep, newtimes = AsaTransport.get_time_objects_from_model_timesteps(self.times, start=self.start_time) if self.time_method == 'interp': time_indexs = self.timevar.nearest_index(newtimes, select='before') elif self.time_method == 'nearest': time_indexs = self.timevar.nearest_index(newtimes) else: logger.warn("Method for computing u,v,w,temp,salt not supported!") try: assert len(newtimes) == len(time_indexs) except AssertionError: logger.error("Time indexes are messed up. Need to have equal datetime and time indexes") raise # loop over timesteps # We don't loop over the last time_index because # we need to query in the time_index and set the particle's # location as the 'newtime' object. for loop_i, i in enumerate(time_indexs[0:-1]): if self.active.value is False: raise ValueError("Particle exiting due to Failure.") newloc = None # Get the variable data required by the models if self.time_method == 'nearest': u, v, w, temp, salt = self.data_nearest(i, newtimes[loop_i]) elif self.time_method == 'interp': u, v, w, temp, salt = self.data_interp(i, newtimes[loop_i]) else: logger.warn("Method for computing u,v,w,temp,salt is unknown. Only 'nearest' and 'interp' are supported.") # Get the bathy value at the particles location if self.usebathy is True: bathymetry_value = self._bathymetry.get_depth(self.part.location) else: bathymetry_value = -999999999999999 # Age the particle by the modelTimestep (seconds) # 'Age' meaning the amount of time it has been forced. self.part.age(seconds=modelTimestep[loop_i]) # loop over models - sort these in the order you want them to run for model in self.models: movement = model.move(self.part, u, v, w, modelTimestep[loop_i], temperature=temp, salinity=salt, bathymetry_value=bathymetry_value) newloc = Location4D(latitude=movement['latitude'], longitude=movement['longitude'], depth=movement['depth'], time=newtimes[loop_i+1]) logger.debug("%s - moved %.3f meters (horizontally) and %.3f meters (vertically) by %s with data from %s" % (self.part.logstring(), movement['distance'], movement['vertical_distance'], model.__class__.__name__, newtimes[loop_i].isoformat())) if newloc: self.boundary_interaction(particle=self.part, starting=self.part.location, ending=newloc, distance=movement['distance'], angle=movement['angle'], azimuth=movement['azimuth'], reverse_azimuth=movement['reverse_azimuth'], vertical_distance=movement['vertical_distance'], vertical_angle=movement['vertical_angle']) logger.debug("%s - was forced by %s and is now at %s" % (self.part.logstring(), model.__class__.__name__, self.part.location.logstring())) self.part.note = self.part.outputstring() # Each timestep, save the particles status and environmental variables. # This keep fields such as temp, salt, halted, settled, and dead matched up with the number of timesteps self.part.save() self.dataset.closenc() # We won't pull data for the last entry in locations, but we need to populate it with fill data. self.part.fill_environment_gap() if self.usebathy is True: self._bathymetry.close() if self.useshore is True: self._shoreline.close() return self.part def boundary_interaction(self, **kwargs): """ Returns a list of Location4D objects """ particle = kwargs.pop('particle') starting = kwargs.pop('starting') ending = kwargs.pop('ending') # shoreline if self.useshore: intersection_point = self._shoreline.intersect(start_point=starting.point, end_point=ending.point) if intersection_point: # Set the intersection point. hitpoint = Location4D(point=intersection_point['point'], time=starting.time + (ending.time - starting.time)) particle.location = hitpoint # This relies on the shoreline to put the particle in water and not on shore. resulting_point = self._shoreline.react(start_point=starting, end_point=ending, hit_point=hitpoint, reverse_distance=self.reverse_distance, feature=intersection_point['feature'], distance=kwargs.get('distance'), angle=kwargs.get('angle'), azimuth=kwargs.get('azimuth'), reverse_azimuth=kwargs.get('reverse_azimuth')) ending.latitude = resulting_point.latitude ending.longitude = resulting_point.longitude ending.depth = resulting_point.depth logger.debug("%s - hit the shoreline at %s. Setting location to %s." % (particle.logstring(), hitpoint.logstring(), ending.logstring())) # bathymetry if self.usebathy: if not particle.settled: bintersect = self._bathymetry.intersect(start_point=starting, end_point=ending) if bintersect: pt = self._bathymetry.react(type='reverse', start_point=starting, end_point=ending) logger.debug("%s - hit the bottom at %s. Setting location to %s." % (particle.logstring(), ending.logstring(), pt.logstring())) ending.latitude = pt.latitude ending.longitude = pt.longitude ending.depth = pt.depth # sea-surface if self.usesurface: if ending.depth > 0: logger.debug("%s - rose out of the water. Setting depth to 0." % particle.logstring()) ending.depth = 0 particle.location = ending return
asascience-open/paegan-transport
paegan/transport/parallel_manager.py
Python
gpl-3.0
47,626
[ "NetCDF" ]
1cc4136abb8570f38d7773cd5c047a113db21b613381a4467fc46224a6da4830
# -*- coding: utf-8 -*- """ End-to-end tests for the LMS. """ import json from nose.plugins.attrib import attr from datetime import datetime, timedelta import ddt from capa.tests.response_xml_factory import MultipleChoiceResponseXMLFactory from ..helpers import UniqueCourseTest, EventsTestMixin from ...pages.studio.auto_auth import AutoAuthPage from ...pages.lms.create_mode import ModeCreationPage from ...pages.studio.overview import CourseOutlinePage from ...pages.lms.courseware import CoursewarePage, CoursewareSequentialTabPage from ...pages.lms.course_nav import CourseNavPage from ...pages.lms.problem import ProblemPage from ...pages.common.logout import LogoutPage from ...pages.lms.track_selection import TrackSelectionPage from ...pages.lms.pay_and_verify import PaymentAndVerificationFlow, FakePaymentPage from ...pages.lms.dashboard import DashboardPage from ...fixtures.course import CourseFixture, XBlockFixtureDesc class CoursewareTest(UniqueCourseTest): """ Test courseware. """ USERNAME = "STUDENT_TESTER" EMAIL = "student101@example.com" def setUp(self): super(CoursewareTest, self).setUp() self.courseware_page = CoursewarePage(self.browser, self.course_id) self.course_nav = CourseNavPage(self.browser) self.course_outline = CourseOutlinePage( self.browser, self.course_info['org'], self.course_info['number'], self.course_info['run'] ) # Install a course with sections/problems, tabs, updates, and handouts self.course_fix = CourseFixture( self.course_info['org'], self.course_info['number'], self.course_info['run'], self.course_info['display_name'] ) self.course_fix.add_children( XBlockFixtureDesc('chapter', 'Test Section 1').add_children( XBlockFixtureDesc('sequential', 'Test Subsection 1').add_children( XBlockFixtureDesc('problem', 'Test Problem 1') ) ), XBlockFixtureDesc('chapter', 'Test Section 2').add_children( XBlockFixtureDesc('sequential', 'Test Subsection 2').add_children( XBlockFixtureDesc('problem', 'Test Problem 2') ) ) ).install() # Auto-auth register for the course. self._auto_auth(self.USERNAME, self.EMAIL, False) def _goto_problem_page(self): """ Open problem page with assertion. """ self.courseware_page.visit() self.problem_page = ProblemPage(self.browser) # pylint: disable=attribute-defined-outside-init self.assertEqual(self.problem_page.problem_name, 'Test Problem 1') def _create_breadcrumb(self, index): """ Create breadcrumb """ return ['Test Section {}'.format(index), 'Test Subsection {}'.format(index), 'Test Problem {}'.format(index)] def _auto_auth(self, username, email, staff): """ Logout and login with given credentials. """ AutoAuthPage(self.browser, username=username, email=email, course_id=self.course_id, staff=staff).visit() def test_courseware(self): """ Test courseware if recent visited subsection become unpublished. """ # Visit problem page as a student. self._goto_problem_page() # Logout and login as a staff user. LogoutPage(self.browser).visit() self._auto_auth("STAFF_TESTER", "staff101@example.com", True) # Visit course outline page in studio. self.course_outline.visit() # Set release date for subsection in future. self.course_outline.change_problem_release_date() # Logout and login as a student. LogoutPage(self.browser).visit() self._auto_auth(self.USERNAME, self.EMAIL, False) # Visit courseware as a student. self.courseware_page.visit() # Problem name should be "Test Problem 2". self.assertEqual(self.problem_page.problem_name, 'Test Problem 2') def test_course_tree_breadcrumb(self): """ Scenario: Correct course tree breadcrumb is shown. Given that I am a registered user And I visit my courseware page Then I should see correct course tree breadcrumb """ self.courseware_page.visit() xblocks = self.course_fix.get_nested_xblocks(category="problem") for index in range(1, len(xblocks) + 1): self.course_nav.go_to_section('Test Section {}'.format(index), 'Test Subsection {}'.format(index)) courseware_page_breadcrumb = self.courseware_page.breadcrumb expected_breadcrumb = self._create_breadcrumb(index) # pylint: disable=no-member self.assertEqual(courseware_page_breadcrumb, expected_breadcrumb) @ddt.ddt class ProctoredExamTest(UniqueCourseTest): """ Test courseware. """ USERNAME = "STUDENT_TESTER" EMAIL = "student101@example.com" def setUp(self): super(ProctoredExamTest, self).setUp() self.courseware_page = CoursewarePage(self.browser, self.course_id) self.course_outline = CourseOutlinePage( self.browser, self.course_info['org'], self.course_info['number'], self.course_info['run'] ) # Install a course with sections/problems, tabs, updates, and handouts course_fix = CourseFixture( self.course_info['org'], self.course_info['number'], self.course_info['run'], self.course_info['display_name'] ) course_fix.add_advanced_settings({ "enable_proctored_exams": {"value": "true"} }) course_fix.add_children( XBlockFixtureDesc('chapter', 'Test Section 1').add_children( XBlockFixtureDesc('sequential', 'Test Subsection 1').add_children( XBlockFixtureDesc('problem', 'Test Problem 1') ) ) ).install() self.track_selection_page = TrackSelectionPage(self.browser, self.course_id) self.payment_and_verification_flow = PaymentAndVerificationFlow(self.browser, self.course_id) self.immediate_verification_page = PaymentAndVerificationFlow( self.browser, self.course_id, entry_point='verify-now' ) self.upgrade_page = PaymentAndVerificationFlow(self.browser, self.course_id, entry_point='upgrade') self.fake_payment_page = FakePaymentPage(self.browser, self.course_id) self.dashboard_page = DashboardPage(self.browser) self.problem_page = ProblemPage(self.browser) # Add a verified mode to the course ModeCreationPage( self.browser, self.course_id, mode_slug=u'verified', mode_display_name=u'Verified Certificate', min_price=10, suggested_prices='10,20' ).visit() # Auto-auth register for the course. self._auto_auth(self.USERNAME, self.EMAIL, False) def _auto_auth(self, username, email, staff): """ Logout and login with given credentials. """ AutoAuthPage(self.browser, username=username, email=email, course_id=self.course_id, staff=staff).visit() def _login_as_a_verified_user(self): """ login as a verififed user """ self._auto_auth(self.USERNAME, self.EMAIL, False) # the track selection page cannot be visited. see the other tests to see if any prereq is there. # Navigate to the track selection page self.track_selection_page.visit() # Enter the payment and verification flow by choosing to enroll as verified self.track_selection_page.enroll('verified') # Proceed to the fake payment page self.payment_and_verification_flow.proceed_to_payment() # Submit payment self.fake_payment_page.submit_payment() def test_can_create_proctored_exam_in_studio(self): """ Given that I am a staff member When I visit the course outline page in studio. And open the subsection edit dialog Then I can view all settings related to Proctored and timed exams """ LogoutPage(self.browser).visit() self._auto_auth("STAFF_TESTER", "staff101@example.com", True) self.course_outline.visit() self.course_outline.open_subsection_settings_dialog() self.assertTrue(self.course_outline.proctoring_items_are_displayed()) def test_proctored_exam_flow(self): """ Given that I am a staff member on the exam settings section select advanced settings tab When I Make the exam proctored. And I login as a verified student. And visit the courseware as a verified student. Then I can see an option to take the exam as a proctored exam. """ LogoutPage(self.browser).visit() self._auto_auth("STAFF_TESTER", "staff101@example.com", True) self.course_outline.visit() self.course_outline.open_subsection_settings_dialog() self.course_outline.select_advanced_tab() self.course_outline.make_exam_proctored() LogoutPage(self.browser).visit() self._login_as_a_verified_user() self.courseware_page.visit() self.assertTrue(self.courseware_page.can_start_proctored_exam) @ddt.data(True, False) def test_timed_exam_flow(self, hide_after_due): """ Given that I am a staff member on the exam settings section select advanced settings tab When I Make the exam timed. And I login as a verified student. And visit the courseware as a verified student. And I start the timed exam Then I am taken to the exam with a timer bar showing When I finish the exam Then I see the exam submitted dialog in place of the exam When I log back into studio as a staff member And change the problem's due date to be in the past And log back in as the original verified student Then I see the exam or message in accordance with the hide_after_due setting """ LogoutPage(self.browser).visit() self._auto_auth("STAFF_TESTER", "staff101@example.com", True) self.course_outline.visit() self.course_outline.open_subsection_settings_dialog() self.course_outline.select_advanced_tab() self.course_outline.make_exam_timed(hide_after_due=hide_after_due) LogoutPage(self.browser).visit() self._login_as_a_verified_user() self.courseware_page.visit() self.courseware_page.start_timed_exam() self.assertTrue(self.courseware_page.is_timer_bar_present) self.courseware_page.stop_timed_exam() self.assertTrue(self.courseware_page.has_submitted_exam_message()) LogoutPage(self.browser).visit() self._auto_auth("STAFF_TESTER", "staff101@example.com", True) self.course_outline.visit() last_week = (datetime.today() - timedelta(days=7)).strftime("%m/%d/%Y") self.course_outline.change_problem_due_date(last_week) LogoutPage(self.browser).visit() self._auto_auth(self.USERNAME, self.EMAIL, False) self.courseware_page.visit() self.assertEqual(self.courseware_page.has_submitted_exam_message(), hide_after_due) def test_field_visiblity_with_all_exam_types(self): """ Given that I am a staff member And I have visited the course outline page in studio. And the subsection edit dialog is open select advanced settings tab For each of None, Timed, Proctored, and Practice exam types The time allotted, review rules, and hide after due fields have proper visibility None: False, False, False Timed: True, False, True Proctored: True, True, False Practice: True, False, False """ LogoutPage(self.browser).visit() self._auto_auth("STAFF_TESTER", "staff101@example.com", True) self.course_outline.visit() self.course_outline.open_subsection_settings_dialog() self.course_outline.select_advanced_tab() self.course_outline.select_none_exam() self.assertFalse(self.course_outline.time_allotted_field_visible()) self.assertFalse(self.course_outline.exam_review_rules_field_visible()) self.assertFalse(self.course_outline.hide_after_due_field_visible()) self.course_outline.select_timed_exam() self.assertTrue(self.course_outline.time_allotted_field_visible()) self.assertFalse(self.course_outline.exam_review_rules_field_visible()) self.assertTrue(self.course_outline.hide_after_due_field_visible()) self.course_outline.select_proctored_exam() self.assertTrue(self.course_outline.time_allotted_field_visible()) self.assertTrue(self.course_outline.exam_review_rules_field_visible()) self.assertFalse(self.course_outline.hide_after_due_field_visible()) self.course_outline.select_practice_exam() self.assertTrue(self.course_outline.time_allotted_field_visible()) self.assertFalse(self.course_outline.exam_review_rules_field_visible()) self.assertFalse(self.course_outline.hide_after_due_field_visible()) class CoursewareMultipleVerticalsTest(UniqueCourseTest, EventsTestMixin): """ Test courseware with multiple verticals """ USERNAME = "STUDENT_TESTER" EMAIL = "student101@example.com" def setUp(self): super(CoursewareMultipleVerticalsTest, self).setUp() self.courseware_page = CoursewarePage(self.browser, self.course_id) self.course_outline = CourseOutlinePage( self.browser, self.course_info['org'], self.course_info['number'], self.course_info['run'] ) # Install a course with sections/problems, tabs, updates, and handouts course_fix = CourseFixture( self.course_info['org'], self.course_info['number'], self.course_info['run'], self.course_info['display_name'] ) course_fix.add_children( XBlockFixtureDesc('chapter', 'Test Section 1').add_children( XBlockFixtureDesc('sequential', 'Test Subsection 1,1').add_children( XBlockFixtureDesc('problem', 'Test Problem 1', data='<problem>problem 1 dummy body</problem>'), XBlockFixtureDesc('html', 'html 1', data="<html>html 1 dummy body</html>"), XBlockFixtureDesc('problem', 'Test Problem 2', data="<problem>problem 2 dummy body</problem>"), XBlockFixtureDesc('html', 'html 2', data="<html>html 2 dummy body</html>"), ), XBlockFixtureDesc('sequential', 'Test Subsection 1,2').add_children( XBlockFixtureDesc('problem', 'Test Problem 3', data='<problem>problem 3 dummy body</problem>'), ), XBlockFixtureDesc( 'sequential', 'Test HIDDEN Subsection', metadata={'visible_to_staff_only': True} ).add_children( XBlockFixtureDesc('problem', 'Test HIDDEN Problem', data='<problem>hidden problem</problem>'), ), ), XBlockFixtureDesc('chapter', 'Test Section 2').add_children( XBlockFixtureDesc('sequential', 'Test Subsection 2,1').add_children( XBlockFixtureDesc('problem', 'Test Problem 4', data='<problem>problem 4 dummy body</problem>'), ), ), XBlockFixtureDesc('chapter', 'Test HIDDEN Section', metadata={'visible_to_staff_only': True}).add_children( XBlockFixtureDesc('sequential', 'Test HIDDEN Subsection'), ), ).install() # Auto-auth register for the course. AutoAuthPage(self.browser, username=self.USERNAME, email=self.EMAIL, course_id=self.course_id, staff=False).visit() self.courseware_page.visit() self.course_nav = CourseNavPage(self.browser) def test_navigation_buttons(self): # start in first section self.assert_navigation_state('Test Section 1', 'Test Subsection 1,1', 0, next_enabled=True, prev_enabled=False) # next takes us to next tab in sequential self.courseware_page.click_next_button_on_top() self.assert_navigation_state('Test Section 1', 'Test Subsection 1,1', 1, next_enabled=True, prev_enabled=True) # go to last sequential position self.courseware_page.go_to_sequential_position(4) self.assert_navigation_state('Test Section 1', 'Test Subsection 1,1', 3, next_enabled=True, prev_enabled=True) # next takes us to next sequential self.courseware_page.click_next_button_on_bottom() self.assert_navigation_state('Test Section 1', 'Test Subsection 1,2', 0, next_enabled=True, prev_enabled=True) # next takes us to next chapter self.courseware_page.click_next_button_on_top() self.assert_navigation_state('Test Section 2', 'Test Subsection 2,1', 0, next_enabled=False, prev_enabled=True) # previous takes us to previous chapter self.courseware_page.click_previous_button_on_top() self.assert_navigation_state('Test Section 1', 'Test Subsection 1,2', 0, next_enabled=True, prev_enabled=True) # previous takes us to last tab in previous sequential self.courseware_page.click_previous_button_on_bottom() self.assert_navigation_state('Test Section 1', 'Test Subsection 1,1', 3, next_enabled=True, prev_enabled=True) # previous takes us to previous tab in sequential self.courseware_page.click_previous_button_on_bottom() self.assert_navigation_state('Test Section 1', 'Test Subsection 1,1', 2, next_enabled=True, prev_enabled=True) # test UI events emitted by navigation filter_sequence_ui_event = lambda event: event.get('name', '').startswith('edx.ui.lms.sequence.') sequence_ui_events = self.wait_for_events(event_filter=filter_sequence_ui_event, timeout=2) legacy_events = [ev for ev in sequence_ui_events if ev['event_type'] in {'seq_next', 'seq_prev', 'seq_goto'}] nonlegacy_events = [ev for ev in sequence_ui_events if ev not in legacy_events] self.assertTrue(all('old' in json.loads(ev['event']) for ev in legacy_events)) self.assertTrue(all('new' in json.loads(ev['event']) for ev in legacy_events)) self.assertFalse(any('old' in json.loads(ev['event']) for ev in nonlegacy_events)) self.assertFalse(any('new' in json.loads(ev['event']) for ev in nonlegacy_events)) self.assert_events_match( [ { 'event_type': 'seq_next', 'event': { 'old': 1, 'new': 2, 'current_tab': 1, 'tab_count': 4, 'widget_placement': 'top', } }, { 'event_type': 'seq_goto', 'event': { 'old': 2, 'new': 4, 'current_tab': 2, 'target_tab': 4, 'tab_count': 4, 'widget_placement': 'top', } }, { 'event_type': 'edx.ui.lms.sequence.next_selected', 'event': { 'current_tab': 4, 'tab_count': 4, 'widget_placement': 'bottom', } }, { 'event_type': 'edx.ui.lms.sequence.next_selected', 'event': { 'current_tab': 1, 'tab_count': 1, 'widget_placement': 'top', } }, { 'event_type': 'edx.ui.lms.sequence.previous_selected', 'event': { 'current_tab': 1, 'tab_count': 1, 'widget_placement': 'top', } }, { 'event_type': 'edx.ui.lms.sequence.previous_selected', 'event': { 'current_tab': 1, 'tab_count': 1, 'widget_placement': 'bottom', } }, { 'event_type': 'seq_prev', 'event': { 'old': 4, 'new': 3, 'current_tab': 4, 'tab_count': 4, 'widget_placement': 'bottom', } }, ], sequence_ui_events ) def test_outline_selected_events(self): self.course_nav.go_to_section('Test Section 1', 'Test Subsection 1,2') self.course_nav.go_to_section('Test Section 2', 'Test Subsection 2,1') # test UI events emitted by navigating via the course outline filter_selected_events = lambda event: event.get('name', '') == 'edx.ui.lms.outline.selected' selected_events = self.wait_for_events(event_filter=filter_selected_events, timeout=2) # note: target_url is tested in unit tests, as the url changes here with every test (it includes GUIDs). self.assert_events_match( [ { 'event_type': 'edx.ui.lms.outline.selected', 'name': 'edx.ui.lms.outline.selected', 'event': { 'target_name': 'Test Subsection 1,2 ', 'widget_placement': 'accordion', } }, { 'event_type': 'edx.ui.lms.outline.selected', 'name': 'edx.ui.lms.outline.selected', 'event': { 'target_name': 'Test Subsection 2,1 ', 'widget_placement': 'accordion', } }, ], selected_events ) def test_link_clicked_events(self): """ Given that I am a user in the courseware When I navigate via the left-hand nav Then a link clicked event is logged """ self.course_nav.go_to_section('Test Section 1', 'Test Subsection 1,2') self.course_nav.go_to_section('Test Section 2', 'Test Subsection 2,1') filter_link_clicked = lambda event: event.get('name', '') == 'edx.ui.lms.link_clicked' link_clicked_events = self.wait_for_events(event_filter=filter_link_clicked, timeout=2) self.assertEqual(len(link_clicked_events), 2) def assert_navigation_state( self, section_title, subsection_title, subsection_position, next_enabled, prev_enabled ): """ Verifies that the navigation state is as expected. """ self.assertTrue(self.course_nav.is_on_section(section_title, subsection_title)) self.assertEquals(self.courseware_page.sequential_position, subsection_position) self.assertEquals(self.courseware_page.is_next_button_enabled, next_enabled) self.assertEquals(self.courseware_page.is_previous_button_enabled, prev_enabled) def test_tab_position(self): # test that using the position in the url direct to correct tab in courseware self.course_nav.go_to_section('Test Section 1', 'Test Subsection 1,1') subsection_url = self.course_nav.active_subsection_url url_part_list = subsection_url.split('/') self.assertEqual(len(url_part_list), 9) course_id = url_part_list[4] chapter_id = url_part_list[-3] subsection_id = url_part_list[-2] problem1_page = CoursewareSequentialTabPage( self.browser, course_id=course_id, chapter=chapter_id, subsection=subsection_id, position=1 ).visit() self.assertIn('problem 1 dummy body', problem1_page.get_selected_tab_content()) html1_page = CoursewareSequentialTabPage( self.browser, course_id=course_id, chapter=chapter_id, subsection=subsection_id, position=2 ).visit() self.assertIn('html 1 dummy body', html1_page.get_selected_tab_content()) problem2_page = CoursewareSequentialTabPage( self.browser, course_id=course_id, chapter=chapter_id, subsection=subsection_id, position=3 ).visit() self.assertIn('problem 2 dummy body', problem2_page.get_selected_tab_content()) html2_page = CoursewareSequentialTabPage( self.browser, course_id=course_id, chapter=chapter_id, subsection=subsection_id, position=4 ).visit() self.assertIn('html 2 dummy body', html2_page.get_selected_tab_content()) @attr('a11y') def test_courseware_a11y(self): """ Run accessibility audit for the problem type. """ self.course_nav.go_to_section('Test Section 1', 'Test Subsection 1,1') # Set the scope to the sequence navigation self.courseware_page.a11y_audit.config.set_scope( include=['div.sequence-nav']) self.courseware_page.a11y_audit.config.set_rules({ "ignore": [ 'section', # TODO: AC-491 ], }) self.courseware_page.a11y_audit.check_for_accessibility_errors() class ProblemStateOnNavigationTest(UniqueCourseTest): """ Test courseware with problems in multiple verticals """ USERNAME = "STUDENT_TESTER" EMAIL = "student101@example.com" problem1_name = 'MULTIPLE CHOICE TEST PROBLEM 1' problem2_name = 'MULTIPLE CHOICE TEST PROBLEM 2' def setUp(self): super(ProblemStateOnNavigationTest, self).setUp() self.courseware_page = CoursewarePage(self.browser, self.course_id) # Install a course with section, tabs and multiple choice problems. course_fix = CourseFixture( self.course_info['org'], self.course_info['number'], self.course_info['run'], self.course_info['display_name'] ) course_fix.add_children( XBlockFixtureDesc('chapter', 'Test Section 1').add_children( XBlockFixtureDesc('sequential', 'Test Subsection 1,1').add_children( self.create_multiple_choice_problem(self.problem1_name), self.create_multiple_choice_problem(self.problem2_name), ), ), ).install() # Auto-auth register for the course. AutoAuthPage( self.browser, username=self.USERNAME, email=self.EMAIL, course_id=self.course_id, staff=False ).visit() self.courseware_page.visit() self.problem_page = ProblemPage(self.browser) def create_multiple_choice_problem(self, problem_name): """ Return the Multiple Choice Problem Descriptor, given the name of the problem. """ factory = MultipleChoiceResponseXMLFactory() xml_data = factory.build_xml( question_text='The correct answer is Choice 2', choices=[False, False, True, False], choice_names=['choice_0', 'choice_1', 'choice_2', 'choice_3'] ) return XBlockFixtureDesc( 'problem', problem_name, data=xml_data, metadata={'rerandomize': 'always'} ) def go_to_tab_and_assert_problem(self, position, problem_name): """ Go to sequential tab and assert that we are on problem whose name is given as a parameter. Args: position: Position of the sequential tab problem_name: Name of the problem """ self.courseware_page.go_to_sequential_position(position) self.problem_page.wait_for_element_presence( self.problem_page.CSS_PROBLEM_HEADER, 'wait for problem header' ) self.assertEqual(self.problem_page.problem_name, problem_name) def test_perform_problem_check_and_navigate(self): """ Scenario: I go to sequential position 1 Facing problem1, I select 'choice_1' Then I click check button Then I go to sequential position 2 Then I came back to sequential position 1 again Facing problem1, I observe the problem1 content is not outdated before and after sequence navigation """ # Go to sequential position 1 and assert that we are on problem 1. self.go_to_tab_and_assert_problem(1, self.problem1_name) # Update problem 1's content state by clicking check button. self.problem_page.click_choice('choice_choice_1') self.problem_page.click_check() self.problem_page.wait_for_expected_status('label.choicegroup_incorrect', 'incorrect') # Save problem 1's content state as we're about to switch units in the sequence. problem1_content_before_switch = self.problem_page.problem_content # Go to sequential position 2 and assert that we are on problem 2. self.go_to_tab_and_assert_problem(2, self.problem2_name) # Come back to our original unit in the sequence and assert that the content hasn't changed. self.go_to_tab_and_assert_problem(1, self.problem1_name) problem1_content_after_coming_back = self.problem_page.problem_content self.assertEqual(problem1_content_before_switch, problem1_content_after_coming_back) def test_perform_problem_save_and_navigate(self): """ Scenario: I go to sequential position 1 Facing problem1, I select 'choice_1' Then I click save button Then I go to sequential position 2 Then I came back to sequential position 1 again Facing problem1, I observe the problem1 content is not outdated before and after sequence navigation """ # Go to sequential position 1 and assert that we are on problem 1. self.go_to_tab_and_assert_problem(1, self.problem1_name) # Update problem 1's content state by clicking save button. self.problem_page.click_choice('choice_choice_1') self.problem_page.click_save() self.problem_page.wait_for_expected_status('div.capa_alert', 'saved') # Save problem 1's content state as we're about to switch units in the sequence. problem1_content_before_switch = self.problem_page.problem_content # Go to sequential position 2 and assert that we are on problem 2. self.go_to_tab_and_assert_problem(2, self.problem2_name) # Come back to our original unit in the sequence and assert that the content hasn't changed. self.go_to_tab_and_assert_problem(1, self.problem1_name) problem1_content_after_coming_back = self.problem_page.problem_content self.assertIn(problem1_content_after_coming_back, problem1_content_before_switch) def test_perform_problem_reset_and_navigate(self): """ Scenario: I go to sequential position 1 Facing problem1, I select 'choice_1' Then perform the action – check and reset Then I go to sequential position 2 Then I came back to sequential position 1 again Facing problem1, I observe the problem1 content is not outdated before and after sequence navigation """ # Go to sequential position 1 and assert that we are on problem 1. self.go_to_tab_and_assert_problem(1, self.problem1_name) # Update problem 1's content state – by performing reset operation. self.problem_page.click_choice('choice_choice_1') self.problem_page.click_check() self.problem_page.wait_for_expected_status('label.choicegroup_incorrect', 'incorrect') self.problem_page.click_reset() self.problem_page.wait_for_expected_status('span.unanswered', 'unanswered') # Save problem 1's content state as we're about to switch units in the sequence. problem1_content_before_switch = self.problem_page.problem_content # Go to sequential position 2 and assert that we are on problem 2. self.go_to_tab_and_assert_problem(2, self.problem2_name) # Come back to our original unit in the sequence and assert that the content hasn't changed. self.go_to_tab_and_assert_problem(1, self.problem1_name) problem1_content_after_coming_back = self.problem_page.problem_content self.assertEqual(problem1_content_before_switch, problem1_content_after_coming_back)
waheedahmed/edx-platform
common/test/acceptance/tests/lms/test_lms_courseware.py
Python
agpl-3.0
33,212
[ "VisIt" ]
1a31f63995307114d0253b5a6bcc8f23bf1d461dcc1d1ab95c8a95edbcf75017
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module is intended to be used to compute Pourbaix diagrams of arbitrary compositions and formation energies. If you use this module in your work, please consider citing the following: General formalism for solid-aqueous equilibria from DFT: Persson et al., DOI: 10.1103/PhysRevB.85.235438 Decomposition maps, or Pourbaix hull diagrams Singh et al., DOI: 10.1021/acs.chemmater.7b03980 Fast computation of many-element Pourbaix diagrams: Patel et al., https://arxiv.org/abs/1909.00035 (submitted) """ import logging import numpy as np import itertools import re from copy import deepcopy from functools import cmp_to_key, partial, lru_cache from monty.json import MSONable, MontyDecoder from multiprocessing import Pool import warnings from scipy.spatial import ConvexHull, HalfspaceIntersection try: from scipy.special import comb except ImportError: from scipy.misc import comb from pymatgen.util.coord import Simplex from pymatgen.util.string import latexify from pymatgen.util.plotting import pretty_plot from pymatgen.core.periodic_table import Element from pymatgen.core.composition import Composition from pymatgen.core.ion import Ion from pymatgen.entries.computed_entries import ComputedEntry from pymatgen.analysis.reaction_calculator import Reaction, ReactionError from pymatgen.analysis.phase_diagram import PhaseDiagram, PDEntry from tqdm import tqdm __author__ = "Sai Jayaraman" __copyright__ = "Copyright 2012, The Materials Project" __version__ = "0.4" __maintainer__ = "Joseph Montoya" __credits__ = "Arunima Singh, Joseph Montoya, Anjli Patel" __email__ = "joseph.montoya@tri.global" __status__ = "Production" __date__ = "Nov 1, 2012" logger = logging.getLogger(__name__) MU_H2O = -2.4583 PREFAC = 0.0591 # TODO: Revise to more closely reflect PDEntry, invoke from energy/composition # TODO: PourbaixEntries depend implicitly on having entry energies be # formation energies, should be a better way to get from raw energies # TODO: uncorrected_energy is a bit of a misnomer, but not sure what to rename class PourbaixEntry(MSONable): """ An object encompassing all data relevant to a solid or ion in a pourbaix diagram. Each bulk solid/ion has an energy g of the form: e = e0 + 0.0591 log10(conc) - nO mu_H2O + (nH - 2nO) pH + phi (-nH + 2nO + q) Note that the energies corresponding to the input entries should be formation energies with respect to hydrogen and oxygen gas in order for the pourbaix diagram formalism to work. This may be changed to be more flexible in the future. Args: entry (ComputedEntry/ComputedStructureEntry/PDEntry/IonEntry): An entry object """ def __init__(self, entry, entry_id=None, concentration=1e-6): self.entry = entry if isinstance(entry, IonEntry): self.concentration = concentration self.phase_type = "Ion" self.charge = entry.ion.charge else: self.concentration = 1.0 self.phase_type = "Solid" self.charge = 0.0 self.uncorrected_energy = entry.energy if entry_id is not None: self.entry_id = entry_id elif hasattr(entry, "entry_id") and entry.entry_id: self.entry_id = entry.entry_id else: self.entry_id = None @property def npH(self): return self.entry.composition.get("H", 0.) \ - 2 * self.entry.composition.get("O", 0.) @property def nH2O(self): return self.entry.composition.get("O", 0.) @property def nPhi(self): return self.npH - self.charge @property def name(self): if self.phase_type == "Solid": return self.entry.composition.reduced_formula + "(s)" elif self.phase_type == "Ion": return self.entry.name @property def energy(self): """ returns energy Returns (float): total energy of the pourbaix entry (at pH, V = 0 vs. SHE) """ # Note: this implicitly depends on formation energies as input return self.uncorrected_energy + self.conc_term - (MU_H2O * self.nH2O) @property def energy_per_atom(self): """ energy per atom of the pourbaix entry Returns (float): energy per atom """ return self.energy / self.composition.num_atoms def energy_at_conditions(self, pH, V): """ Get free energy for a given pH and V Args: pH (float): pH at which to evaluate free energy V (float): voltage at which to evaluate free energy Returns: free energy at conditions """ return self.energy + self.npH * PREFAC * pH + self.nPhi * V def get_element_fraction(self, element): """ Gets the elemental fraction of a given non-OH element Args: element (Element or str): string or element corresponding to element to get from composition Returns: fraction of element / sum(all non-OH elements) """ return self.composition.get(element) * self.normalization_factor @property def normalized_energy(self): """ Returns: energy normalized by number of non H or O atoms, e. g. for Zn2O6, energy / 2 or for AgTe3(OH)3, energy / 4 """ return self.energy * self.normalization_factor def normalized_energy_at_conditions(self, pH, V): """ Energy at an electrochemical condition, compatible with numpy arrays for pH/V input Args: pH (float): pH at condition V (float): applied potential at condition Returns: energy normalized by number of non-O/H atoms at condition """ return self.energy_at_conditions(pH, V) * self.normalization_factor @property def conc_term(self): """ Returns the concentration contribution to the free energy, and should only be present when there are ions in the entry """ return PREFAC * np.log10(self.concentration) # TODO: not sure if these are strictly necessary with refactor def as_dict(self): """ Returns dict which contains Pourbaix Entry data. Note that the pH, voltage, H2O factors are always calculated when constructing a PourbaixEntry object. """ d = {"@module": self.__class__.__module__, "@class": self.__class__.__name__} if isinstance(self.entry, IonEntry): d["entry_type"] = "Ion" else: d["entry_type"] = "Solid" d["entry"] = self.entry.as_dict() d["concentration"] = self.concentration d["entry_id"] = self.entry_id return d @classmethod def from_dict(cls, d): """ Invokes """ entry_type = d["entry_type"] if entry_type == "Ion": entry = IonEntry.from_dict(d["entry"]) else: entry = PDEntry.from_dict(d["entry"]) entry_id = d["entry_id"] concentration = d["concentration"] return PourbaixEntry(entry, entry_id, concentration) @property def normalization_factor(self): """ Sum of number of atoms minus the number of H and O in composition """ return 1.0 / (self.num_atoms - self.composition.get('H', 0) - self.composition.get('O', 0)) @property def composition(self): """ Returns composition """ return self.entry.composition @property def num_atoms(self): """ Return number of atoms in current formula. Useful for normalization """ return self.composition.num_atoms def __repr__(self): return "Pourbaix Entry : {} with energy = {:.4f}, npH = {}, nPhi = {}, nH2O = {}, entry_id = {} ".format( self.entry.composition, self.energy, self.npH, self.nPhi, self.nH2O, self.entry_id) def __str__(self): return self.__repr__() class MultiEntry(PourbaixEntry): """ PourbaixEntry-like object for constructing multi-elemental Pourbaix diagrams. """ def __init__(self, entry_list, weights=None): """ Initializes a MultiEntry. Args: entry_list ([PourbaixEntry]): List of component PourbaixEntries weights ([float]): Weights associated with each entry. Default is None """ if weights is None: self.weights = [1.0] * len(entry_list) else: self.weights = weights self.entry_list = entry_list @lru_cache() def __getattr__(self, item): """ Because most of the attributes here are just weighted averages of the entry_list, we save some space by having a set of conditionals to define the attributes """ # Attributes that are weighted averages of entry attributes if item in ["energy", "npH", "nH2O", "nPhi", "conc_term", "composition", "uncorrected_energy"]: # TODO: Composition could be changed for compat with sum if item == "composition": start = Composition({}) else: start = 0 return sum([getattr(e, item) * w for e, w in zip(self.entry_list, self.weights)], start) # Attributes that are just lists of entry attributes elif item in ["entry_id", "phase_type"]: return [getattr(e, item) for e in self.entry_list] # normalization_factor, num_atoms should work from superclass return self.__getattribute__(item) @property def name(self): """ MultiEntry name, i. e. the name of each entry joined by ' + ' """ return " + ".join([e.name for e in self.entry_list]) def __repr__(self): return "Multiple Pourbaix Entry: energy = {:.4f}, npH = {}, nPhi = {}, nH2O = {}, entry_id = {}, species: {}" \ .format(self.energy, self.npH, self.nPhi, self.nH2O, self.entry_id, self.name) def __str__(self): return self.__repr__() def as_dict(self): return {"@module": self.__class__.__module__, "@class": self.__class__.__name__, "entry_list": [e.as_dict() for e in self.entry_list], "weights": self.weights} @classmethod def from_dict(cls, d): entry_list = [PourbaixEntry.from_dict(e) for e in d.get("entry_list")] return cls(entry_list, d.get("weights")) # TODO: this class isn't particularly useful in its current form, could be # refactored to include information about the reference solid class IonEntry(PDEntry): """ Object similar to PDEntry, but contains an Ion object instead of a Composition object. Args: ion: Ion object energy: Energy for composition. name: Optional parameter to name the entry. Defaults to the chemical formula. .. attribute:: name A name for the entry. This is the string shown in the phase diagrams. By default, this is the reduced formula for the composition, but can be set to some other string for display purposes. """ def __init__(self, ion, energy, name=None, attribute=None): self.ion = ion # Auto-assign name name = name if name else self.ion.reduced_formula super(IonEntry, self).__init__( composition=ion.composition, energy=energy, name=name, attribute=attribute) @classmethod def from_dict(cls, d): """ Returns an IonEntry object from a dict. """ return IonEntry(Ion.from_dict(d["ion"]), d["energy"], d.get("name"), d.get("attribute")) def as_dict(self): """ Creates a dict of composition, energy, and ion name """ d = {"ion": self.ion.as_dict(), "energy": self.energy, "name": self.name} return d def __repr__(self): return "IonEntry : {} with energy = {:.4f}".format(self.composition, self.energy) def __str__(self): return self.__repr__() def ion_or_solid_comp_object(formula): """ Returns either an ion object or composition object given a formula. Args: formula: String formula. Eg. of ion: NaOH(aq), Na[+]; Eg. of solid: Fe2O3(s), Fe(s), Na2O Returns: Composition/Ion object """ m = re.search(r"\[([^\[\]]+)\]|\(aq\)", formula) if m: comp_obj = Ion.from_formula(formula) elif re.search(r"\(s\)", formula): comp_obj = Composition(formula[:-3]) else: comp_obj = Composition(formula) return comp_obj ELEMENTS_HO = {Element('H'), Element('O')} # TODO: the solids filter breaks some of the functionality of the # heatmap plotter, because the reference states for decomposition # don't include oxygen/hydrogen in the OER/HER regions # TODO: create a from_phase_diagram class method for non-formation energy # invocation # TODO: invocation from a MultiEntry entry list could be a bit more robust # TODO: serialization is still a bit rough around the edges class PourbaixDiagram(MSONable): """ Class to create a Pourbaix diagram from entries Args: entries ([PourbaixEntry] or [MultiEntry]): Entries list containing Solids and Ions or a list of MultiEntries comp_dict ({str: float}): Dictionary of compositions, defaults to equal parts of each elements conc_dict ({str: float}): Dictionary of ion concentrations, defaults to 1e-6 for each element filter_solids (bool): applying this filter to a pourbaix diagram ensures all included phases are filtered by stability on the compositional phase diagram. This breaks some of the functionality of the analysis, though, so use with caution. nproc (int): number of processes to generate multientries with in parallel. Defaults to None (serial processing) """ def __init__(self, entries, comp_dict=None, conc_dict=None, filter_solids=False, nproc=None): entries = deepcopy(entries) # Get non-OH elements self.pbx_elts = set(itertools.chain.from_iterable( [entry.composition.elements for entry in entries])) self.pbx_elts = list(self.pbx_elts - ELEMENTS_HO) self.dim = len(self.pbx_elts) - 1 # Process multientry inputs if isinstance(entries[0], MultiEntry): self._processed_entries = entries # Extract individual entries single_entries = list(set(itertools.chain.from_iterable( [e.entry_list for e in entries]))) self._unprocessed_entries = single_entries self._filtered_entries = single_entries self._conc_dict = None self._elt_comp = {k: v for k, v in entries[0].composition.items() if k not in ELEMENTS_HO} self._multielement = True # Process single entry inputs else: # Set default conc/comp dicts if not comp_dict: comp_dict = {elt.symbol: 1. / len(self.pbx_elts) for elt in self.pbx_elts} if not conc_dict: conc_dict = {elt.symbol: 1e-6 for elt in self.pbx_elts} self._conc_dict = conc_dict self._elt_comp = comp_dict self.pourbaix_elements = self.pbx_elts solid_entries = [entry for entry in entries if entry.phase_type == "Solid"] ion_entries = [entry for entry in entries if entry.phase_type == "Ion"] # If a conc_dict is specified, override individual entry concentrations for entry in ion_entries: ion_elts = list(set(entry.composition.elements) - ELEMENTS_HO) # TODO: the logic here for ion concentration setting is in two # places, in PourbaixEntry and here, should be consolidated if len(ion_elts) == 1: entry.concentration = conc_dict[ion_elts[0].symbol] \ * entry.normalization_factor elif len(ion_elts) > 1 and not entry.concentration: raise ValueError("Elemental concentration not compatible " "with multi-element ions") self._unprocessed_entries = solid_entries + ion_entries if not len(solid_entries + ion_entries) == len(entries): raise ValueError("All supplied entries must have a phase type of " "either \"Solid\" or \"Ion\"") if filter_solids: # O is 2.46 b/c pbx entry finds energies referenced to H2O entries_HO = [ComputedEntry('H', 0), ComputedEntry('O', 2.46)] solid_pd = PhaseDiagram(solid_entries + entries_HO) solid_entries = list(set(solid_pd.stable_entries) - set(entries_HO)) self._filtered_entries = solid_entries + ion_entries if len(comp_dict) > 1: self._multielement = True self._processed_entries = self._preprocess_pourbaix_entries( self._filtered_entries, nproc=nproc) else: self._processed_entries = self._filtered_entries self._multielement = False self._stable_domains, self._stable_domain_vertices = \ self.get_pourbaix_domains(self._processed_entries) def _convert_entries_to_points(self, pourbaix_entries): """ Args: pourbaix_entries ([PourbaixEntry]): list of pourbaix entries to process into vectors in nph-nphi-composition space Returns: list of vectors, [[nph, nphi, e0, x1, x2, ..., xn-1]] corresponding to each entry in nph-nphi-composition space """ vecs = [[entry.npH, entry.nPhi, entry.energy] + [entry.composition.get(elt) for elt in self.pbx_elts[:-1]] for entry in pourbaix_entries] vecs = np.array(vecs) norms = np.transpose([[entry.normalization_factor for entry in pourbaix_entries]]) vecs *= norms return vecs def _get_hull_in_nph_nphi_space(self, entries): """ Generates convex hull of pourbaix diagram entries in composition, npH, and nphi space. This enables filtering of multi-entries such that only compositionally stable combinations of entries are included. Args: entries ([PourbaixEntry]): list of PourbaixEntries to construct the convex hull Returns: list of entries and stable facets corresponding to that list of entries """ ion_entries = [entry for entry in entries if entry.phase_type == "Ion"] solid_entries = [entry for entry in entries if entry.phase_type == "Solid"] # Pre-filter solids based on min at each composition logger.debug("Pre-filtering solids by min energy at each composition") sorted_entries = sorted( solid_entries, key=lambda x: (x.composition.reduced_composition, x.entry.energy_per_atom)) grouped_by_composition = itertools.groupby( sorted_entries, key=lambda x: x.composition.reduced_composition) min_entries = [list(grouped_entries)[0] for comp, grouped_entries in grouped_by_composition] min_entries += ion_entries logger.debug("Constructing nph-nphi-composition points for qhull") vecs = self._convert_entries_to_points(min_entries) maxes = np.max(vecs[:, :3], axis=0) extra_point = np.concatenate( [maxes, np.ones(self.dim) / self.dim], axis=0) # Add padding for extra point pad = 1000 extra_point[2] += pad points = np.concatenate([vecs, np.array([extra_point])], axis=0) logger.debug("Constructing convex hull in nph-nphi-composition space") hull = ConvexHull(points, qhull_options="QJ i") # Create facets and remove top facets = [facet for facet in hull.simplices if not len(points) - 1 in facet] if self.dim > 1: logger.debug("Filtering facets by pourbaix composition") valid_facets = [] for facet in facets: comps = vecs[facet][:, 3:] full_comps = np.concatenate([ comps, 1 - np.sum(comps, axis=1).reshape(len(comps), 1)], axis=1) # Ensure an compositional interior point exists in the simplex if np.linalg.matrix_rank(full_comps) > self.dim: valid_facets.append(facet) else: valid_facets = facets return min_entries, valid_facets def _preprocess_pourbaix_entries(self, entries, nproc=None): """ Generates multi-entries for pourbaix diagram Args: entries ([PourbaixEntry]): list of PourbaixEntries to preprocess into MultiEntries nproc (int): number of processes to be used in parallel treatment of entry combos Returns: ([MultiEntry]) list of stable MultiEntry candidates """ # Get composition tot_comp = Composition(self._elt_comp) min_entries, valid_facets = self._get_hull_in_nph_nphi_space(entries) combos = [] for facet in valid_facets: for i in range(1, self.dim + 2): these_combos = list() for combo in itertools.combinations(facet, i): these_entries = [min_entries[i] for i in combo] these_combos.append(frozenset(these_entries)) combos.append(these_combos) all_combos = set(itertools.chain.from_iterable(combos)) list_combos = [] for i in all_combos: list_combos.append(list(i)) all_combos = list_combos multi_entries = [] # Parallel processing of multi-entry generation if nproc is not None: f = partial(self.process_multientry, prod_comp=tot_comp) with Pool(nproc) as p: multi_entries = list(tqdm(p.imap(f, all_combos), total=len(all_combos))) multi_entries = list(filter(bool, multi_entries)) else: # Serial processing of multi-entry generation for combo in tqdm(all_combos): multi_entry = self.process_multientry(combo, prod_comp=tot_comp) if multi_entry: multi_entries.append(multi_entry) return multi_entries def _generate_multielement_entries(self, entries, nproc=None): """ Create entries for multi-element Pourbaix construction. This works by finding all possible linear combinations of entries that can result in the specified composition from the initialized comp_dict. Args: entries ([PourbaixEntries]): list of pourbaix entries to process into MultiEntries nproc (int): number of processes to be used in parallel treatment of entry combos """ N = len(self._elt_comp) # No. of elements total_comp = Composition(self._elt_comp) # generate all combinations of compounds that have all elements entry_combos = [itertools.combinations( entries, j + 1) for j in range(N)] entry_combos = itertools.chain.from_iterable(entry_combos) entry_combos = filter(lambda x: total_comp < MultiEntry(x).composition, entry_combos) # Generate and filter entries processed_entries = [] total = sum([comb(len(entries), j + 1) for j in range(N)]) if total > 1e6: warnings.warn("Your pourbaix diagram includes {} entries and may " "take a long time to generate.".format(total)) # Parallel processing of multi-entry generation if nproc is not None: f = partial(self.process_multientry, prod_comp=total_comp) with Pool(nproc) as p: processed_entries = list(tqdm(p.imap(f, entry_combos), total=total)) processed_entries = list(filter(bool, processed_entries)) # Serial processing of multi-entry generation else: for entry_combo in entry_combos: processed_entry = self.process_multientry(entry_combo, total_comp) if processed_entry is not None: processed_entries.append(processed_entry) return processed_entries @staticmethod def process_multientry(entry_list, prod_comp, coeff_threshold=1e-4): """ Static method for finding a multientry based on a list of entries and a product composition. Essentially checks to see if a valid aqueous reaction exists between the entries and the product composition and returns a MultiEntry with weights according to the coefficients if so. Args: entry_list ([Entry]): list of entries from which to create a MultiEntry prod_comp (Composition): composition constraint for setting weights of MultiEntry coeff_threshold (float): threshold of stoichiometric coefficients to filter, if weights are lower than this value, the entry is not returned """ dummy_oh = [Composition("H"), Composition("O")] try: # Get balanced reaction coeffs, ensuring all < 0 or conc thresh # Note that we get reduced compositions for solids and non-reduced # compositions for ions because ions aren't normalized due to # their charge state. entry_comps = [e.composition for e in entry_list] rxn = Reaction(entry_comps + dummy_oh, [prod_comp]) coeffs = -np.array([rxn.get_coeff(comp) for comp in entry_comps]) # Return None if reaction coeff threshold is not met if (coeffs > coeff_threshold).all(): return MultiEntry(entry_list, weights=coeffs.tolist()) else: return None except ReactionError: return None @staticmethod def get_pourbaix_domains(pourbaix_entries, limits=None): """ Returns a set of pourbaix stable domains (i. e. polygons) in pH-V space from a list of pourbaix_entries This function works by using scipy's HalfspaceIntersection function to construct all of the 2-D polygons that form the boundaries of the planes corresponding to individual entry gibbs free energies as a function of pH and V. Hyperplanes of the form a*pH + b*V + 1 - g(0, 0) are constructed and supplied to HalfspaceIntersection, which then finds the boundaries of each pourbaix region using the intersection points. Args: pourbaix_entries ([PourbaixEntry]): Pourbaix entries with which to construct stable pourbaix domains limits ([[float]]): limits in which to do the pourbaix analysis Returns: Returns a dict of the form {entry: [boundary_points]}. The list of boundary points are the sides of the N-1 dim polytope bounding the allowable ph-V range of each entry. """ if limits is None: limits = [[-2, 16], [-4, 4]] # Get hyperplanes hyperplanes = [np.array([-PREFAC * entry.npH, -entry.nPhi, 0, -entry.energy]) * entry.normalization_factor for entry in pourbaix_entries] hyperplanes = np.array(hyperplanes) hyperplanes[:, 2] = 1 max_contribs = np.max(np.abs(hyperplanes), axis=0) g_max = np.dot(-max_contribs, [limits[0][1], limits[1][1], 0, 1]) # Add border hyperplanes and generate HalfspaceIntersection border_hyperplanes = [[-1, 0, 0, limits[0][0]], [1, 0, 0, -limits[0][1]], [0, -1, 0, limits[1][0]], [0, 1, 0, -limits[1][1]], [0, 0, -1, 2 * g_max]] hs_hyperplanes = np.vstack([hyperplanes, border_hyperplanes]) interior_point = np.average(limits, axis=1).tolist() + [g_max] hs_int = HalfspaceIntersection(hs_hyperplanes, np.array(interior_point)) # organize the boundary points by entry pourbaix_domains = {entry: [] for entry in pourbaix_entries} for intersection, facet in zip(hs_int.intersections, hs_int.dual_facets): for v in facet: if v < len(pourbaix_entries): this_entry = pourbaix_entries[v] pourbaix_domains[this_entry].append(intersection) # Remove entries with no pourbaix region pourbaix_domains = {k: v for k, v in pourbaix_domains.items() if v} pourbaix_domain_vertices = {} for entry, points in pourbaix_domains.items(): points = np.array(points)[:, :2] # Initial sort to ensure consistency points = points[np.lexsort(np.transpose(points))] center = np.average(points, axis=0) points_centered = points - center # Sort points by cross product of centered points, # isn't strictly necessary but useful for plotting tools points_centered = sorted(points_centered, key=cmp_to_key(lambda x, y: x[0] * y[1] - x[1] * y[0])) points = points_centered + center # Create simplices corresponding to pourbaix boundary simplices = [Simplex(points[indices]) for indices in ConvexHull(points).simplices] pourbaix_domains[entry] = simplices pourbaix_domain_vertices[entry] = points return pourbaix_domains, pourbaix_domain_vertices def find_stable_entry(self, pH, V): """ Finds stable entry at a pH,V condition Args: pH (float): pH to find stable entry V (float): V to find stable entry Returns: """ energies_at_conditions = [e.normalized_energy_at_conditions(pH, V) for e in self.stable_entries] return self.stable_entries[np.argmin(energies_at_conditions)] def get_decomposition_energy(self, entry, pH, V): """ Finds decomposition to most stable entries in eV/atom, supports vectorized inputs for pH and V Args: entry (PourbaixEntry): PourbaixEntry corresponding to compound to find the decomposition for pH (float, [float]): pH at which to find the decomposition V (float, [float]): voltage at which to find the decomposition Returns: Decomposition energy for the entry, i. e. the energy above the "pourbaix hull" in eV/atom at the given conditions """ # Check composition consistency between entry and Pourbaix diagram: pbx_comp = Composition(self._elt_comp).fractional_composition entry_pbx_comp = Composition( {elt: coeff for elt, coeff in entry.composition.items() if elt not in ELEMENTS_HO}).fractional_composition if entry_pbx_comp != pbx_comp: raise ValueError("Composition of stability entry does not match " "Pourbaix Diagram") entry_normalized_energy = entry.normalized_energy_at_conditions(pH, V) hull_energy = self.get_hull_energy(pH, V) decomposition_energy = entry_normalized_energy - hull_energy # Convert to eV/atom instead of eV/normalized formula unit decomposition_energy /= entry.normalization_factor decomposition_energy /= entry.composition.num_atoms return decomposition_energy def get_hull_energy(self, pH, V): """ Gets the minimum energy of the pourbaix "basin" that is formed from the stable pourbaix planes. Vectorized. Args: pH (float or [float]): pH at which to find the hull energy V (float or [float]): V at which to find the hull energy Returns: (float or [float]) minimum pourbaix energy at conditions """ all_gs = np.array([e.normalized_energy_at_conditions( pH, V) for e in self.stable_entries]) base = np.min(all_gs, axis=0) return base def get_stable_entry(self, pH, V): """ Gets the stable entry at a given pH, V condition Args: pH (float): pH at a given condition V (float): V at a given condition Returns: (PourbaixEntry or MultiEntry): pourbaix or multi-entry corresponding ot the minimum energy entry at a given pH, V condition """ all_gs = np.array([e.normalized_energy_at_conditions( pH, V) for e in self.stable_entries]) return self.stable_entries[np.argmin(all_gs)] @property def stable_entries(self): """ Returns the stable entries in the Pourbaix diagram. """ return list(self._stable_domains.keys()) @property def unstable_entries(self): """ Returns all unstable entries in the Pourbaix diagram """ return [e for e in self.all_entries if e not in self.stable_entries] @property def all_entries(self): """ Return all entries used to generate the pourbaix diagram """ return self._processed_entries @property def unprocessed_entries(self): """ Return unprocessed entries """ return self._unprocessed_entries def as_dict(self, include_unprocessed_entries=False): if include_unprocessed_entries: entries = [e.as_dict() for e in self._unprocessed_entries] else: entries = [e.as_dict() for e in self._processed_entries] d = {"@module": self.__class__.__module__, "@class": self.__class__.__name__, "entries": entries, "comp_dict": self._elt_comp, "conc_dict": self._conc_dict} return d @classmethod def from_dict(cls, d): decoded_entries = MontyDecoder().process_decoded(d['entries']) return cls(decoded_entries, d.get('comp_dict'), d.get('conc_dict')) class PourbaixPlotter: """ A plotter class for phase diagrams. Args: pourbaix_diagram (PourbaixDiagram): A PourbaixDiagram object. """ def __init__(self, pourbaix_diagram): self._pbx = pourbaix_diagram def show(self, *args, **kwargs): """ Shows the pourbaix plot Args: *args: args to get_pourbaix_plot **kwargs: kwargs to get_pourbaix_plot Returns: None """ plt = self.get_pourbaix_plot(*args, **kwargs) plt.show() def get_pourbaix_plot(self, limits=None, title="", label_domains=True, plt=None): """ Plot Pourbaix diagram. Args: limits: 2D list containing limits of the Pourbaix diagram of the form [[xlo, xhi], [ylo, yhi]] title (str): Title to display on plot label_domains (bool): whether to label pourbaix domains plt (pyplot): Pyplot instance for plotting Returns: plt (pyplot) - matplotlib plot object with pourbaix diagram """ if limits is None: limits = [[-2, 16], [-3, 3]] plt = plt or pretty_plot(16) xlim = limits[0] ylim = limits[1] h_line = np.transpose([[xlim[0], -xlim[0] * PREFAC], [xlim[1], -xlim[1] * PREFAC]]) o_line = np.transpose([[xlim[0], -xlim[0] * PREFAC + 1.23], [xlim[1], -xlim[1] * PREFAC + 1.23]]) neutral_line = np.transpose([[7, ylim[0]], [7, ylim[1]]]) V0_line = np.transpose([[xlim[0], 0], [xlim[1], 0]]) ax = plt.gca() ax.set_xlim(xlim) ax.set_ylim(ylim) lw = 3 plt.plot(h_line[0], h_line[1], "r--", linewidth=lw) plt.plot(o_line[0], o_line[1], "r--", linewidth=lw) plt.plot(neutral_line[0], neutral_line[1], "k-.", linewidth=lw) plt.plot(V0_line[0], V0_line[1], "k-.", linewidth=lw) for entry, vertices in self._pbx._stable_domain_vertices.items(): center = np.average(vertices, axis=0) x, y = np.transpose(np.vstack([vertices, vertices[0]])) plt.plot(x, y, 'k-', linewidth=lw) if label_domains: plt.annotate(generate_entry_label(entry), center, ha='center', va='center', fontsize=20, color="b").draggable() plt.xlabel("pH") plt.ylabel("E (V)") plt.title(title, fontsize=20, fontweight='bold') return plt def plot_entry_stability(self, entry, pH_range=None, pH_resolution=100, V_range=None, V_resolution=100, e_hull_max=1, cmap='RdYlBu_r', **kwargs): if pH_range is None: pH_range = [-2, 16] if V_range is None: V_range = [-3, 3] # plot the Pourbaix diagram plt = self.get_pourbaix_plot(**kwargs) pH, V = np.mgrid[pH_range[0]:pH_range[1]:pH_resolution * 1j, V_range[0]:V_range[1]:V_resolution * 1j] stability = self._pbx.get_decomposition_energy(entry, pH, V) # Plot stability map plt.pcolor(pH, V, stability, cmap=cmap, vmin=0, vmax=e_hull_max) cbar = plt.colorbar() cbar.set_label("Stability of {} (eV/atom)".format( generate_entry_label(entry))) # Set ticklabels # ticklabels = [t.get_text() for t in cbar.ax.get_yticklabels()] # ticklabels[-1] = '>={}'.format(ticklabels[-1]) # cbar.ax.set_yticklabels(ticklabels) return plt def domain_vertices(self, entry): """ Returns the vertices of the Pourbaix domain. Args: entry: Entry for which domain vertices are desired Returns: list of vertices """ return self._pbx._stable_domain_vertices[entry] def generate_entry_label(entry): """ Generates a label for the pourbaix plotter Args: entry (PourbaixEntry or MultiEntry): entry to get a label for """ if isinstance(entry, MultiEntry): return " + ".join([latexify_ion(latexify(e.name)) for e in entry.entry_list]) else: return latexify_ion(latexify(entry.name)) def latexify_ion(formula): return re.sub(r"()\[([^)]*)\]", r"\1$^{\2}$", formula)
fraricci/pymatgen
pymatgen/analysis/pourbaix_diagram.py
Python
mit
39,890
[ "pymatgen" ]
923ed68cfa12db8805fbefa5d90a862a887bbf22f1ced978e04ced37502f8a66
""" Representations and Inference for Logic. (Chapters 7-9, 12) Covers both Propositional and First-Order Logic. First we have four important data types: KB Abstract class holds a knowledge base of logical expressions KB_Agent Abstract class subclasses agents.Agent Expr A logical expression, imported from utils.py substitution Implemented as a dictionary of var:value pairs, {x:1, y:x} Be careful: some functions take an Expr as argument, and some take a KB. Logical expressions can be created with Expr or expr, imported from utils, TODO or with expr, which adds the capability to write a string that uses the connectives ==>, <==, <=>, or <=/=>. But be careful: these have the operator precedence of commas; you may need to add parens to make precedence work. See logic.ipynb for examples. Then we implement various functions for doing logical inference: pl_true Evaluate a propositional logical sentence in a model tt_entails Say if a statement is entailed by a KB pl_resolution Do resolution on propositional sentences dpll_satisfiable See if a propositional sentence is satisfiable WalkSAT Try to find a solution for a set of clauses And a few other functions: to_cnf Convert to conjunctive normal form unify Do unification of two FOL sentences diff, simp Symbolic differentiation and simplification """ import heapq import itertools import random from collections import defaultdict, Counter import networkx as nx from agents import Agent, Glitter, Bump, Stench, Breeze, Scream from csp import parse_neighbors, UniversalDict from search import astar_search, PlanRoute from utils import remove_all, unique, first, probability, isnumber, issequence, Expr, expr, subexpressions, extend class KB: """A knowledge base to which you can tell and ask sentences. To create a KB, first subclass this class and implement tell, ask_generator, and retract. Why ask_generator instead of ask? The book is a bit vague on what ask means -- For a Propositional Logic KB, ask(P & Q) returns True or False, but for an FOL KB, something like ask(Brother(x, y)) might return many substitutions such as {x: Cain, y: Abel}, {x: Abel, y: Cain}, {x: George, y: Jeb}, etc. So ask_generator generates these one at a time, and ask either returns the first one or returns False.""" def __init__(self, sentence=None): if sentence: self.tell(sentence) def tell(self, sentence): """Add the sentence to the KB.""" raise NotImplementedError def ask(self, query): """Return a substitution that makes the query true, or, failing that, return False.""" return first(self.ask_generator(query), default=False) def ask_generator(self, query): """Yield all the substitutions that make query true.""" raise NotImplementedError def retract(self, sentence): """Remove sentence from the KB.""" raise NotImplementedError class PropKB(KB): """A KB for propositional logic. Inefficient, with no indexing.""" def __init__(self, sentence=None): super().__init__(sentence) self.clauses = [] def tell(self, sentence): """Add the sentence's clauses to the KB.""" self.clauses.extend(conjuncts(to_cnf(sentence))) def ask_generator(self, query): """Yield the empty substitution {} if KB entails query; else no results.""" if tt_entails(Expr('&', *self.clauses), query): yield {} def ask_if_true(self, query): """Return True if the KB entails query, else return False.""" for _ in self.ask_generator(query): return True return False def retract(self, sentence): """Remove the sentence's clauses from the KB.""" for c in conjuncts(to_cnf(sentence)): if c in self.clauses: self.clauses.remove(c) # ______________________________________________________________________________ def KBAgentProgram(kb): """ [Figure 7.1] A generic logical knowledge-based agent program. """ steps = itertools.count() def program(percept): t = next(steps) kb.tell(make_percept_sentence(percept, t)) action = kb.ask(make_action_query(t)) kb.tell(make_action_sentence(action, t)) return action def make_percept_sentence(percept, t): return Expr('Percept')(percept, t) def make_action_query(t): return expr('ShouldDo(action, {})'.format(t)) def make_action_sentence(action, t): return Expr('Did')(action[expr('action')], t) return program def is_symbol(s): """A string s is a symbol if it starts with an alphabetic char. >>> is_symbol('R2D2') True """ return isinstance(s, str) and s[:1].isalpha() def is_var_symbol(s): """A logic variable symbol is an initial-lowercase string. >>> is_var_symbol('EXE') False """ return is_symbol(s) and s[0].islower() def is_prop_symbol(s): """A proposition logic symbol is an initial-uppercase string. >>> is_prop_symbol('exe') False """ return is_symbol(s) and s[0].isupper() def variables(s): """Return a set of the variables in expression s. >>> variables(expr('F(x, x) & G(x, y) & H(y, z) & R(A, z, 2)')) == {x, y, z} True """ return {x for x in subexpressions(s) if is_variable(x)} def is_definite_clause(s): """Returns True for exprs s of the form A & B & ... & C ==> D, where all literals are positive. In clause form, this is ~A | ~B | ... | ~C | D, where exactly one clause is positive. >>> is_definite_clause(expr('Farmer(Mac)')) True """ if is_symbol(s.op): return True elif s.op == '==>': antecedent, consequent = s.args return is_symbol(consequent.op) and all(is_symbol(arg.op) for arg in conjuncts(antecedent)) else: return False def parse_definite_clause(s): """Return the antecedents and the consequent of a definite clause.""" assert is_definite_clause(s) if is_symbol(s.op): return [], s else: antecedent, consequent = s.args return conjuncts(antecedent), consequent # Useful constant Exprs used in examples and code: A, B, C, D, E, F, G, P, Q, a, x, y, z, u = map(Expr, 'ABCDEFGPQaxyzu') # ______________________________________________________________________________ def tt_entails(kb, alpha): """ [Figure 7.10] Does kb entail the sentence alpha? Use truth tables. For propositional kb's and sentences. Note that the 'kb' should be an Expr which is a conjunction of clauses. >>> tt_entails(expr('P & Q'), expr('Q')) True """ assert not variables(alpha) symbols = list(prop_symbols(kb & alpha)) return tt_check_all(kb, alpha, symbols, {}) def tt_check_all(kb, alpha, symbols, model): """Auxiliary routine to implement tt_entails.""" if not symbols: if pl_true(kb, model): result = pl_true(alpha, model) assert result in (True, False) return result else: return True else: P, rest = symbols[0], symbols[1:] return (tt_check_all(kb, alpha, rest, extend(model, P, True)) and tt_check_all(kb, alpha, rest, extend(model, P, False))) def prop_symbols(x): """Return the set of all propositional symbols in x.""" if not isinstance(x, Expr): return set() elif is_prop_symbol(x.op): return {x} else: return {symbol for arg in x.args for symbol in prop_symbols(arg)} def constant_symbols(x): """Return the set of all constant symbols in x.""" if not isinstance(x, Expr): return set() elif is_prop_symbol(x.op) and not x.args: return {x} else: return {symbol for arg in x.args for symbol in constant_symbols(arg)} def predicate_symbols(x): """Return a set of (symbol_name, arity) in x. All symbols (even functional) with arity > 0 are considered.""" if not isinstance(x, Expr) or not x.args: return set() pred_set = {(x.op, len(x.args))} if is_prop_symbol(x.op) else set() pred_set.update({symbol for arg in x.args for symbol in predicate_symbols(arg)}) return pred_set def tt_true(s): """Is a propositional sentence a tautology? >>> tt_true('P | ~P') True """ s = expr(s) return tt_entails(True, s) def pl_true(exp, model={}): """Return True if the propositional logic expression is true in the model, and False if it is false. If the model does not specify the value for every proposition, this may return None to indicate 'not obvious'; this may happen even when the expression is tautological. >>> pl_true(P, {}) is None True """ if exp in (True, False): return exp op, args = exp.op, exp.args if is_prop_symbol(op): return model.get(exp) elif op == '~': p = pl_true(args[0], model) if p is None: return None else: return not p elif op == '|': result = False for arg in args: p = pl_true(arg, model) if p is True: return True if p is None: result = None return result elif op == '&': result = True for arg in args: p = pl_true(arg, model) if p is False: return False if p is None: result = None return result p, q = args if op == '==>': return pl_true(~p | q, model) elif op == '<==': return pl_true(p | ~q, model) pt = pl_true(p, model) if pt is None: return None qt = pl_true(q, model) if qt is None: return None if op == '<=>': return pt == qt elif op == '^': # xor or 'not equivalent' return pt != qt else: raise ValueError('Illegal operator in logic expression' + str(exp)) # ______________________________________________________________________________ # Convert to Conjunctive Normal Form (CNF) def to_cnf(s): """ [Page 253] Convert a propositional logical sentence to conjunctive normal form. That is, to the form ((A | ~B | ...) & (B | C | ...) & ...) >>> to_cnf('~(B | C)') (~B & ~C) """ s = expr(s) if isinstance(s, str): s = expr(s) s = eliminate_implications(s) # Steps 1, 2 from p. 253 s = move_not_inwards(s) # Step 3 return distribute_and_over_or(s) # Step 4 def eliminate_implications(s): """Change implications into equivalent form with only &, |, and ~ as logical operators.""" s = expr(s) if not s.args or is_symbol(s.op): return s # Atoms are unchanged. args = list(map(eliminate_implications, s.args)) a, b = args[0], args[-1] if s.op == '==>': return b | ~a elif s.op == '<==': return a | ~b elif s.op == '<=>': return (a | ~b) & (b | ~a) elif s.op == '^': assert len(args) == 2 # TODO: relax this restriction return (a & ~b) | (~a & b) else: assert s.op in ('&', '|', '~') return Expr(s.op, *args) def move_not_inwards(s): """Rewrite sentence s by moving negation sign inward. >>> move_not_inwards(~(A | B)) (~A & ~B) """ s = expr(s) if s.op == '~': def NOT(b): return move_not_inwards(~b) a = s.args[0] if a.op == '~': return move_not_inwards(a.args[0]) # ~~A ==> A if a.op == '&': return associate('|', list(map(NOT, a.args))) if a.op == '|': return associate('&', list(map(NOT, a.args))) return s elif is_symbol(s.op) or not s.args: return s else: return Expr(s.op, *list(map(move_not_inwards, s.args))) def distribute_and_over_or(s): """Given a sentence s consisting of conjunctions and disjunctions of literals, return an equivalent sentence in CNF. >>> distribute_and_over_or((A & B) | C) ((A | C) & (B | C)) """ s = expr(s) if s.op == '|': s = associate('|', s.args) if s.op != '|': return distribute_and_over_or(s) if len(s.args) == 0: return False if len(s.args) == 1: return distribute_and_over_or(s.args[0]) conj = first(arg for arg in s.args if arg.op == '&') if not conj: return s others = [a for a in s.args if a is not conj] rest = associate('|', others) return associate('&', [distribute_and_over_or(c | rest) for c in conj.args]) elif s.op == '&': return associate('&', list(map(distribute_and_over_or, s.args))) else: return s def associate(op, args): """Given an associative op, return an expression with the same meaning as Expr(op, *args), but flattened -- that is, with nested instances of the same op promoted to the top level. >>> associate('&', [(A&B),(B|C),(B&C)]) (A & B & (B | C) & B & C) >>> associate('|', [A|(B|(C|(A&B)))]) (A | B | C | (A & B)) """ args = dissociate(op, args) if len(args) == 0: return _op_identity[op] elif len(args) == 1: return args[0] else: return Expr(op, *args) _op_identity = {'&': True, '|': False, '+': 0, '*': 1} def dissociate(op, args): """Given an associative op, return a flattened list result such that Expr(op, *result) means the same as Expr(op, *args). >>> dissociate('&', [A & B]) [A, B] """ result = [] def collect(subargs): for arg in subargs: if arg.op == op: collect(arg.args) else: result.append(arg) collect(args) return result def conjuncts(s): """Return a list of the conjuncts in the sentence s. >>> conjuncts(A & B) [A, B] >>> conjuncts(A | B) [(A | B)] """ return dissociate('&', [s]) def disjuncts(s): """Return a list of the disjuncts in the sentence s. >>> disjuncts(A | B) [A, B] >>> disjuncts(A & B) [(A & B)] """ return dissociate('|', [s]) # ______________________________________________________________________________ def pl_resolution(kb, alpha): """ [Figure 7.12] Propositional-logic resolution: say if alpha follows from KB. >>> pl_resolution(horn_clauses_KB, A) True """ clauses = kb.clauses + conjuncts(to_cnf(~alpha)) new = set() while True: n = len(clauses) pairs = [(clauses[i], clauses[j]) for i in range(n) for j in range(i + 1, n)] for (ci, cj) in pairs: resolvents = pl_resolve(ci, cj) if False in resolvents: return True new = new.union(set(resolvents)) if new.issubset(set(clauses)): return False for c in new: if c not in clauses: clauses.append(c) def pl_resolve(ci, cj): """Return all clauses that can be obtained by resolving clauses ci and cj.""" clauses = [] for di in disjuncts(ci): for dj in disjuncts(cj): if di == ~dj or ~di == dj: clauses.append(associate('|', unique(remove_all(di, disjuncts(ci)) + remove_all(dj, disjuncts(cj))))) return clauses # ______________________________________________________________________________ class PropDefiniteKB(PropKB): """A KB of propositional definite clauses.""" def tell(self, sentence): """Add a definite clause to this KB.""" assert is_definite_clause(sentence), "Must be definite clause" self.clauses.append(sentence) def ask_generator(self, query): """Yield the empty substitution if KB implies query; else nothing.""" if pl_fc_entails(self.clauses, query): yield {} def retract(self, sentence): self.clauses.remove(sentence) def clauses_with_premise(self, p): """Return a list of the clauses in KB that have p in their premise. This could be cached away for O(1) speed, but we'll recompute it.""" return [c for c in self.clauses if c.op == '==>' and p in conjuncts(c.args[0])] def pl_fc_entails(kb, q): """ [Figure 7.15] Use forward chaining to see if a PropDefiniteKB entails symbol q. >>> pl_fc_entails(horn_clauses_KB, expr('Q')) True """ count = {c: len(conjuncts(c.args[0])) for c in kb.clauses if c.op == '==>'} inferred = defaultdict(bool) agenda = [s for s in kb.clauses if is_prop_symbol(s.op)] while agenda: p = agenda.pop() if p == q: return True if not inferred[p]: inferred[p] = True for c in kb.clauses_with_premise(p): count[c] -= 1 if count[c] == 0: agenda.append(c.args[1]) return False """ [Figure 7.13] Simple inference in a wumpus world example """ wumpus_world_inference = expr('(B11 <=> (P12 | P21)) & ~B11') """ [Figure 7.16] Propositional Logic Forward Chaining example """ horn_clauses_KB = PropDefiniteKB() for clause in ['P ==> Q', '(L & M) ==> P', '(B & L) ==> M', '(A & P) ==> L', '(A & B) ==> L', 'A', 'B']: horn_clauses_KB.tell(expr(clause)) """ Definite clauses KB example """ definite_clauses_KB = PropDefiniteKB() for clause in ['(B & F) ==> E', '(A & E & F) ==> G', '(B & C) ==> F', '(A & B) ==> D', '(E & F) ==> H', '(H & I) ==>J', 'A', 'B', 'C']: definite_clauses_KB.tell(expr(clause)) # ______________________________________________________________________________ # Heuristics for SAT Solvers def no_branching_heuristic(symbols, clauses): return first(symbols), True def min_clauses(clauses): min_len = min(map(lambda c: len(c.args), clauses), default=2) return filter(lambda c: len(c.args) == (min_len if min_len > 1 else 2), clauses) def moms(symbols, clauses): """ MOMS (Maximum Occurrence in clauses of Minimum Size) heuristic Returns the literal with the most occurrences in all clauses of minimum size """ scores = Counter(l for c in min_clauses(clauses) for l in prop_symbols(c)) return max(symbols, key=lambda symbol: scores[symbol]), True def momsf(symbols, clauses, k=0): """ MOMS alternative heuristic If f(x) the number of occurrences of the variable x in clauses with minimum size, we choose the variable maximizing [f(x) + f(-x)] * 2^k + f(x) * f(-x) Returns x if f(x) >= f(-x) otherwise -x """ scores = Counter(l for c in min_clauses(clauses) for l in disjuncts(c)) P = max(symbols, key=lambda symbol: (scores[symbol] + scores[~symbol]) * pow(2, k) + scores[symbol] * scores[~symbol]) return P, True if scores[P] >= scores[~P] else False def posit(symbols, clauses): """ Freeman's POSIT version of MOMs Counts the positive x and negative x for each variable x in clauses with minimum size Returns x if f(x) >= f(-x) otherwise -x """ scores = Counter(l for c in min_clauses(clauses) for l in disjuncts(c)) P = max(symbols, key=lambda symbol: scores[symbol] + scores[~symbol]) return P, True if scores[P] >= scores[~P] else False def zm(symbols, clauses): """ Zabih and McAllester's version of MOMs Counts the negative occurrences only of each variable x in clauses with minimum size """ scores = Counter(l for c in min_clauses(clauses) for l in disjuncts(c) if l.op == '~') return max(symbols, key=lambda symbol: scores[~symbol]), True def dlis(symbols, clauses): """ DLIS (Dynamic Largest Individual Sum) heuristic Choose the variable and value that satisfies the maximum number of unsatisfied clauses Like DLCS but we only consider the literal (thus Cp and Cn are individual) """ scores = Counter(l for c in clauses for l in disjuncts(c)) P = max(symbols, key=lambda symbol: scores[symbol]) return P, True if scores[P] >= scores[~P] else False def dlcs(symbols, clauses): """ DLCS (Dynamic Largest Combined Sum) heuristic Cp the number of clauses containing literal x Cn the number of clauses containing literal -x Here we select the variable maximizing Cp + Cn Returns x if Cp >= Cn otherwise -x """ scores = Counter(l for c in clauses for l in disjuncts(c)) P = max(symbols, key=lambda symbol: scores[symbol] + scores[~symbol]) return P, True if scores[P] >= scores[~P] else False def jw(symbols, clauses): """ Jeroslow-Wang heuristic For each literal compute J(l) = \sum{l in clause c} 2^{-|c|} Return the literal maximizing J """ scores = Counter() for c in clauses: for l in prop_symbols(c): scores[l] += pow(2, -len(c.args)) return max(symbols, key=lambda symbol: scores[symbol]), True def jw2(symbols, clauses): """ Two Sided Jeroslow-Wang heuristic Compute J(l) also counts the negation of l = J(x) + J(-x) Returns x if J(x) >= J(-x) otherwise -x """ scores = Counter() for c in clauses: for l in disjuncts(c): scores[l] += pow(2, -len(c.args)) P = max(symbols, key=lambda symbol: scores[symbol] + scores[~symbol]) return P, True if scores[P] >= scores[~P] else False # ______________________________________________________________________________ # DPLL-Satisfiable [Figure 7.17] def dpll_satisfiable(s, branching_heuristic=no_branching_heuristic): """Check satisfiability of a propositional sentence. This differs from the book code in two ways: (1) it returns a model rather than True when it succeeds; this is more useful. (2) The function find_pure_symbol is passed a list of unknown clauses, rather than a list of all clauses and the model; this is more efficient. >>> dpll_satisfiable(A |'<=>'| B) == {A: True, B: True} True """ return dpll(conjuncts(to_cnf(s)), prop_symbols(s), {}, branching_heuristic) def dpll(clauses, symbols, model, branching_heuristic=no_branching_heuristic): """See if the clauses are true in a partial model.""" unknown_clauses = [] # clauses with an unknown truth value for c in clauses: val = pl_true(c, model) if val is False: return False if val is None: unknown_clauses.append(c) if not unknown_clauses: return model P, value = find_pure_symbol(symbols, unknown_clauses) if P: return dpll(clauses, remove_all(P, symbols), extend(model, P, value), branching_heuristic) P, value = find_unit_clause(clauses, model) if P: return dpll(clauses, remove_all(P, symbols), extend(model, P, value), branching_heuristic) P, value = branching_heuristic(symbols, unknown_clauses) return (dpll(clauses, remove_all(P, symbols), extend(model, P, value), branching_heuristic) or dpll(clauses, remove_all(P, symbols), extend(model, P, not value), branching_heuristic)) def find_pure_symbol(symbols, clauses): """Find a symbol and its value if it appears only as a positive literal (or only as a negative) in clauses. >>> find_pure_symbol([A, B, C], [A|~B,~B|~C,C|A]) (A, True) """ for s in symbols: found_pos, found_neg = False, False for c in clauses: if not found_pos and s in disjuncts(c): found_pos = True if not found_neg and ~s in disjuncts(c): found_neg = True if found_pos != found_neg: return s, found_pos return None, None def find_unit_clause(clauses, model): """Find a forced assignment if possible from a clause with only 1 variable not bound in the model. >>> find_unit_clause([A|B|C, B|~C, ~A|~B], {A:True}) (B, False) """ for clause in clauses: P, value = unit_clause_assign(clause, model) if P: return P, value return None, None def unit_clause_assign(clause, model): """Return a single variable/value pair that makes clause true in the model, if possible. >>> unit_clause_assign(A|B|C, {A:True}) (None, None) >>> unit_clause_assign(B|~C, {A:True}) (None, None) >>> unit_clause_assign(~A|~B, {A:True}) (B, False) """ P, value = None, None for literal in disjuncts(clause): sym, positive = inspect_literal(literal) if sym in model: if model[sym] == positive: return None, None # clause already True elif P: return None, None # more than 1 unbound variable else: P, value = sym, positive return P, value def inspect_literal(literal): """The symbol in this literal, and the value it should take to make the literal true. >>> inspect_literal(P) (P, True) >>> inspect_literal(~P) (P, False) """ if literal.op == '~': return literal.args[0], False else: return literal, True # ______________________________________________________________________________ # CDCL - Conflict-Driven Clause Learning with 1UIP Learning Scheme, # 2WL Lazy Data Structure, VSIDS Branching Heuristic & Restarts def no_restart(conflicts, restarts, queue_lbd, sum_lbd): return False def luby(conflicts, restarts, queue_lbd, sum_lbd, unit=512): # in the state-of-art tested with unit value 1, 2, 4, 6, 8, 12, 16, 32, 64, 128, 256 and 512 def _luby(i): k = 1 while True: if i == (1 << k) - 1: return 1 << (k - 1) elif (1 << (k - 1)) <= i < (1 << k) - 1: return _luby(i - (1 << (k - 1)) + 1) k += 1 return unit * _luby(restarts) == len(queue_lbd) def glucose(conflicts, restarts, queue_lbd, sum_lbd, x=100, k=0.7): # in the state-of-art tested with (x, k) as (50, 0.8) and (100, 0.7) # if there were at least x conflicts since the last restart, and then the average LBD of the last # x learnt clauses was at least k times higher than the average LBD of all learnt clauses return len(queue_lbd) >= x and sum(queue_lbd) / len(queue_lbd) * k > sum_lbd / conflicts def cdcl_satisfiable(s, vsids_decay=0.95, restart_strategy=no_restart): """ >>> cdcl_satisfiable(A |'<=>'| B) == {A: True, B: True} True """ clauses = TwoWLClauseDatabase(conjuncts(to_cnf(s))) symbols = prop_symbols(s) scores = Counter() G = nx.DiGraph() model = {} dl = 0 conflicts = 0 restarts = 1 sum_lbd = 0 queue_lbd = [] while True: conflict = unit_propagation(clauses, symbols, model, G, dl) if conflict: if dl == 0: return False conflicts += 1 dl, learn, lbd = conflict_analysis(G, dl) queue_lbd.append(lbd) sum_lbd += lbd backjump(symbols, model, G, dl) clauses.add(learn, model) scores.update(l for l in disjuncts(learn)) for symbol in scores: scores[symbol] *= vsids_decay if restart_strategy(conflicts, restarts, queue_lbd, sum_lbd): backjump(symbols, model, G) queue_lbd.clear() restarts += 1 else: if not symbols: return model dl += 1 assign_decision_literal(symbols, model, scores, G, dl) def assign_decision_literal(symbols, model, scores, G, dl): P = max(symbols, key=lambda symbol: scores[symbol] + scores[~symbol]) value = True if scores[P] >= scores[~P] else False symbols.remove(P) model[P] = value G.add_node(P, val=value, dl=dl) def unit_propagation(clauses, symbols, model, G, dl): def check(c): if not model or clauses.get_first_watched(c) == clauses.get_second_watched(c): return True w1, _ = inspect_literal(clauses.get_first_watched(c)) if w1 in model: return c in (clauses.get_neg_watched(w1) if model[w1] else clauses.get_pos_watched(w1)) w2, _ = inspect_literal(clauses.get_second_watched(c)) if w2 in model: return c in (clauses.get_neg_watched(w2) if model[w2] else clauses.get_pos_watched(w2)) def unit_clause(watching): w, p = inspect_literal(watching) G.add_node(w, val=p, dl=dl) G.add_edges_from(zip(prop_symbols(c) - {w}, itertools.cycle([w])), antecedent=c) symbols.remove(w) model[w] = p def conflict_clause(c): G.add_edges_from(zip(prop_symbols(c), itertools.cycle('K')), antecedent=c) while True: bcp = False for c in filter(check, clauses.get_clauses()): # we need only visit each clause when one of its two watched literals is assigned to 0 because, until # this happens, we can guarantee that there cannot be more than n-2 literals in the clause assigned to 0 first_watched = pl_true(clauses.get_first_watched(c), model) second_watched = pl_true(clauses.get_second_watched(c), model) if first_watched is None and clauses.get_first_watched(c) == clauses.get_second_watched(c): unit_clause(clauses.get_first_watched(c)) bcp = True break elif first_watched is False and second_watched is not True: if clauses.update_second_watched(c, model): bcp = True else: # if the only literal with a non-zero value is the other watched literal then if second_watched is None: # if it is free, then the clause is a unit clause unit_clause(clauses.get_second_watched(c)) bcp = True break else: # else (it is False) the clause is a conflict clause conflict_clause(c) return True elif second_watched is False and first_watched is not True: if clauses.update_first_watched(c, model): bcp = True else: # if the only literal with a non-zero value is the other watched literal then if first_watched is None: # if it is free, then the clause is a unit clause unit_clause(clauses.get_first_watched(c)) bcp = True break else: # else (it is False) the clause is a conflict clause conflict_clause(c) return True if not bcp: return False def conflict_analysis(G, dl): conflict_clause = next(G[p]['K']['antecedent'] for p in G.pred['K']) P = next(node for node in G.nodes() - 'K' if G.nodes[node]['dl'] == dl and G.in_degree(node) == 0) first_uip = nx.immediate_dominators(G, P)['K'] G.remove_node('K') conflict_side = nx.descendants(G, first_uip) while True: for l in prop_symbols(conflict_clause).intersection(conflict_side): antecedent = next(G[p][l]['antecedent'] for p in G.pred[l]) conflict_clause = pl_binary_resolution(conflict_clause, antecedent) # the literal block distance is calculated by taking the decision levels from variables of all # literals in the clause, and counting how many different decision levels were in this set lbd = [G.nodes[l]['dl'] for l in prop_symbols(conflict_clause)] if lbd.count(dl) == 1 and first_uip in prop_symbols(conflict_clause): return 0 if len(lbd) == 1 else heapq.nlargest(2, lbd)[-1], conflict_clause, len(set(lbd)) def pl_binary_resolution(ci, cj): for di in disjuncts(ci): for dj in disjuncts(cj): if di == ~dj or ~di == dj: return pl_binary_resolution(associate('|', remove_all(di, disjuncts(ci))), associate('|', remove_all(dj, disjuncts(cj)))) return associate('|', unique(disjuncts(ci) + disjuncts(cj))) def backjump(symbols, model, G, dl=0): delete = {node for node in G.nodes() if G.nodes[node]['dl'] > dl} G.remove_nodes_from(delete) for node in delete: del model[node] symbols |= delete class TwoWLClauseDatabase: def __init__(self, clauses): self.__twl = {} self.__watch_list = defaultdict(lambda: [set(), set()]) for c in clauses: self.add(c, None) def get_clauses(self): return self.__twl.keys() def set_first_watched(self, clause, new_watching): if len(clause.args) > 2: self.__twl[clause][0] = new_watching def set_second_watched(self, clause, new_watching): if len(clause.args) > 2: self.__twl[clause][1] = new_watching def get_first_watched(self, clause): if len(clause.args) == 2: return clause.args[0] if len(clause.args) > 2: return self.__twl[clause][0] return clause def get_second_watched(self, clause): if len(clause.args) == 2: return clause.args[-1] if len(clause.args) > 2: return self.__twl[clause][1] return clause def get_pos_watched(self, l): return self.__watch_list[l][0] def get_neg_watched(self, l): return self.__watch_list[l][1] def add(self, clause, model): self.__twl[clause] = self.__assign_watching_literals(clause, model) w1, p1 = inspect_literal(self.get_first_watched(clause)) w2, p2 = inspect_literal(self.get_second_watched(clause)) self.__watch_list[w1][0].add(clause) if p1 else self.__watch_list[w1][1].add(clause) if w1 != w2: self.__watch_list[w2][0].add(clause) if p2 else self.__watch_list[w2][1].add(clause) def remove(self, clause): w1, p1 = inspect_literal(self.get_first_watched(clause)) w2, p2 = inspect_literal(self.get_second_watched(clause)) del self.__twl[clause] self.__watch_list[w1][0].discard(clause) if p1 else self.__watch_list[w1][1].discard(clause) if w1 != w2: self.__watch_list[w2][0].discard(clause) if p2 else self.__watch_list[w2][1].discard(clause) def update_first_watched(self, clause, model): # if a non-zero literal different from the other watched literal is found found, new_watching = self.__find_new_watching_literal(clause, self.get_first_watched(clause), model) if found: # then it will replace the watched literal w, p = inspect_literal(self.get_second_watched(clause)) self.__watch_list[w][0].remove(clause) if p else self.__watch_list[w][1].remove(clause) self.set_second_watched(clause, new_watching) w, p = inspect_literal(new_watching) self.__watch_list[w][0].add(clause) if p else self.__watch_list[w][1].add(clause) return True def update_second_watched(self, clause, model): # if a non-zero literal different from the other watched literal is found found, new_watching = self.__find_new_watching_literal(clause, self.get_second_watched(clause), model) if found: # then it will replace the watched literal w, p = inspect_literal(self.get_first_watched(clause)) self.__watch_list[w][0].remove(clause) if p else self.__watch_list[w][1].remove(clause) self.set_first_watched(clause, new_watching) w, p = inspect_literal(new_watching) self.__watch_list[w][0].add(clause) if p else self.__watch_list[w][1].add(clause) return True def __find_new_watching_literal(self, clause, other_watched, model): # if a non-zero literal different from the other watched literal is found if len(clause.args) > 2: for l in disjuncts(clause): if l != other_watched and pl_true(l, model) is not False: # then it is returned return True, l return False, None def __assign_watching_literals(self, clause, model=None): if len(clause.args) > 2: if model is None or not model: return [clause.args[0], clause.args[-1]] else: return [next(l for l in disjuncts(clause) if pl_true(l, model) is None), next(l for l in disjuncts(clause) if pl_true(l, model) is False)] # ______________________________________________________________________________ # Walk-SAT [Figure 7.18] def WalkSAT(clauses, p=0.5, max_flips=10000): """Checks for satisfiability of all clauses by randomly flipping values of variables >>> WalkSAT([A & ~A], 0.5, 100) is None True """ # Set of all symbols in all clauses symbols = {sym for clause in clauses for sym in prop_symbols(clause)} # model is a random assignment of true/false to the symbols in clauses model = {s: random.choice([True, False]) for s in symbols} for i in range(max_flips): satisfied, unsatisfied = [], [] for clause in clauses: (satisfied if pl_true(clause, model) else unsatisfied).append(clause) if not unsatisfied: # if model satisfies all the clauses return model clause = random.choice(unsatisfied) if probability(p): sym = random.choice(list(prop_symbols(clause))) else: # Flip the symbol in clause that maximizes number of sat. clauses def sat_count(sym): # Return the the number of clauses satisfied after flipping the symbol. model[sym] = not model[sym] count = len([clause for clause in clauses if pl_true(clause, model)]) model[sym] = not model[sym] return count sym = max(prop_symbols(clause), key=sat_count) model[sym] = not model[sym] # If no solution is found within the flip limit, we return failure return None # ______________________________________________________________________________ # Map Coloring SAT Problems def MapColoringSAT(colors, neighbors): """Make a SAT for the problem of coloring a map with different colors for any two adjacent regions. Arguments are a list of colors, and a dict of {region: [neighbor,...]} entries. This dict may also be specified as a string of the form defined by parse_neighbors.""" if isinstance(neighbors, str): neighbors = parse_neighbors(neighbors) colors = UniversalDict(colors) clauses = [] for state in neighbors.keys(): clause = [expr(state + '_' + c) for c in colors[state]] clauses.append(clause) for t in itertools.combinations(clause, 2): clauses.append([~t[0], ~t[1]]) visited = set() adj = set(neighbors[state]) - visited visited.add(state) for n_state in adj: for col in colors[n_state]: clauses.append([expr('~' + state + '_' + col), expr('~' + n_state + '_' + col)]) return associate('&', map(lambda c: associate('|', c), clauses)) australia_sat = MapColoringSAT(list('RGB'), """SA: WA NT Q NSW V; NT: WA Q; NSW: Q V; T: """) france_sat = MapColoringSAT(list('RGBY'), """AL: LO FC; AQ: MP LI PC; AU: LI CE BO RA LR MP; BO: CE IF CA FC RA AU; BR: NB PL; CA: IF PI LO FC BO; CE: PL NB NH IF BO AU LI PC; FC: BO CA LO AL RA; IF: NH PI CA BO CE; LI: PC CE AU MP AQ; LO: CA AL FC; LR: MP AU RA PA; MP: AQ LI AU LR; NB: NH CE PL BR; NH: PI IF CE NB; NO: PI; PA: LR RA; PC: PL CE LI AQ; PI: NH NO CA IF; PL: BR NB CE PC; RA: AU BO FC PA LR""") usa_sat = MapColoringSAT(list('RGBY'), """WA: OR ID; OR: ID NV CA; CA: NV AZ; NV: ID UT AZ; ID: MT WY UT; UT: WY CO AZ; MT: ND SD WY; WY: SD NE CO; CO: NE KA OK NM; NM: OK TX AZ; ND: MN SD; SD: MN IA NE; NE: IA MO KA; KA: MO OK; OK: MO AR TX; TX: AR LA; MN: WI IA; IA: WI IL MO; MO: IL KY TN AR; AR: MS TN LA; LA: MS; WI: MI IL; IL: IN KY; IN: OH KY; MS: TN AL; AL: TN GA FL; MI: OH IN; OH: PA WV KY; KY: WV VA TN; TN: VA NC GA; GA: NC SC FL; PA: NY NJ DE MD WV; WV: MD VA; VA: MD DC NC; NC: SC; NY: VT MA CT NJ; NJ: DE; DE: MD; MD: DC; VT: NH MA; MA: NH RI CT; CT: RI; ME: NH; HI: ; AK: """) # ______________________________________________________________________________ # Expr functions for WumpusKB and HybridWumpusAgent def facing_east(time): return Expr('FacingEast', time) def facing_west(time): return Expr('FacingWest', time) def facing_north(time): return Expr('FacingNorth', time) def facing_south(time): return Expr('FacingSouth', time) def wumpus(x, y): return Expr('W', x, y) def pit(x, y): return Expr('P', x, y) def breeze(x, y): return Expr('B', x, y) def stench(x, y): return Expr('S', x, y) def wumpus_alive(time): return Expr('WumpusAlive', time) def have_arrow(time): return Expr('HaveArrow', time) def percept_stench(time): return Expr('Stench', time) def percept_breeze(time): return Expr('Breeze', time) def percept_glitter(time): return Expr('Glitter', time) def percept_bump(time): return Expr('Bump', time) def percept_scream(time): return Expr('Scream', time) def move_forward(time): return Expr('Forward', time) def shoot(time): return Expr('Shoot', time) def turn_left(time): return Expr('TurnLeft', time) def turn_right(time): return Expr('TurnRight', time) def ok_to_move(x, y, time): return Expr('OK', x, y, time) def location(x, y, time=None): if time is None: return Expr('L', x, y) else: return Expr('L', x, y, time) # Symbols def implies(lhs, rhs): return Expr('==>', lhs, rhs) def equiv(lhs, rhs): return Expr('<=>', lhs, rhs) # Helper Function def new_disjunction(sentences): t = sentences[0] for i in range(1, len(sentences)): t |= sentences[i] return t # ______________________________________________________________________________ class WumpusKB(PropKB): """ Create a Knowledge Base that contains the a temporal "Wumpus physics" and temporal rules with time zero. """ def __init__(self, dimrow): super().__init__() self.dimrow = dimrow self.tell(~wumpus(1, 1)) self.tell(~pit(1, 1)) for y in range(1, dimrow + 1): for x in range(1, dimrow + 1): pits_in = list() wumpus_in = list() if x > 1: # West room exists pits_in.append(pit(x - 1, y)) wumpus_in.append(wumpus(x - 1, y)) if y < dimrow: # North room exists pits_in.append(pit(x, y + 1)) wumpus_in.append(wumpus(x, y + 1)) if x < dimrow: # East room exists pits_in.append(pit(x + 1, y)) wumpus_in.append(wumpus(x + 1, y)) if y > 1: # South room exists pits_in.append(pit(x, y - 1)) wumpus_in.append(wumpus(x, y - 1)) self.tell(equiv(breeze(x, y), new_disjunction(pits_in))) self.tell(equiv(stench(x, y), new_disjunction(wumpus_in))) # Rule that describes existence of at least one Wumpus wumpus_at_least = list() for x in range(1, dimrow + 1): for y in range(1, dimrow + 1): wumpus_at_least.append(wumpus(x, y)) self.tell(new_disjunction(wumpus_at_least)) # Rule that describes existence of at most one Wumpus for i in range(1, dimrow + 1): for j in range(1, dimrow + 1): for u in range(1, dimrow + 1): for v in range(1, dimrow + 1): if i != u or j != v: self.tell(~wumpus(i, j) | ~wumpus(u, v)) # Temporal rules at time zero self.tell(location(1, 1, 0)) for i in range(1, dimrow + 1): for j in range(1, dimrow + 1): self.tell(implies(location(i, j, 0), equiv(percept_breeze(0), breeze(i, j)))) self.tell(implies(location(i, j, 0), equiv(percept_stench(0), stench(i, j)))) if i != 1 or j != 1: self.tell(~location(i, j, 0)) self.tell(wumpus_alive(0)) self.tell(have_arrow(0)) self.tell(facing_east(0)) self.tell(~facing_north(0)) self.tell(~facing_south(0)) self.tell(~facing_west(0)) def make_action_sentence(self, action, time): actions = [move_forward(time), shoot(time), turn_left(time), turn_right(time)] for a in actions: if action is a: self.tell(action) else: self.tell(~a) def make_percept_sentence(self, percept, time): # Glitter, Bump, Stench, Breeze, Scream flags = [0, 0, 0, 0, 0] # Things perceived if isinstance(percept, Glitter): flags[0] = 1 self.tell(percept_glitter(time)) elif isinstance(percept, Bump): flags[1] = 1 self.tell(percept_bump(time)) elif isinstance(percept, Stench): flags[2] = 1 self.tell(percept_stench(time)) elif isinstance(percept, Breeze): flags[3] = 1 self.tell(percept_breeze(time)) elif isinstance(percept, Scream): flags[4] = 1 self.tell(percept_scream(time)) # Things not perceived for i in range(len(flags)): if flags[i] == 0: if i == 0: self.tell(~percept_glitter(time)) elif i == 1: self.tell(~percept_bump(time)) elif i == 2: self.tell(~percept_stench(time)) elif i == 3: self.tell(~percept_breeze(time)) elif i == 4: self.tell(~percept_scream(time)) def add_temporal_sentences(self, time): if time == 0: return t = time - 1 # current location rules for i in range(1, self.dimrow + 1): for j in range(1, self.dimrow + 1): self.tell(implies(location(i, j, time), equiv(percept_breeze(time), breeze(i, j)))) self.tell(implies(location(i, j, time), equiv(percept_stench(time), stench(i, j)))) s = list() s.append(equiv(location(i, j, time), location(i, j, time) & ~move_forward(time) | percept_bump(time))) if i != 1: s.append(location(i - 1, j, t) & facing_east(t) & move_forward(t)) if i != self.dimrow: s.append(location(i + 1, j, t) & facing_west(t) & move_forward(t)) if j != 1: s.append(location(i, j - 1, t) & facing_north(t) & move_forward(t)) if j != self.dimrow: s.append(location(i, j + 1, t) & facing_south(t) & move_forward(t)) # add sentence about location i,j self.tell(new_disjunction(s)) # add sentence about safety of location i,j self.tell(equiv(ok_to_move(i, j, time), ~pit(i, j) & ~wumpus(i, j) & wumpus_alive(time))) # Rules about current orientation a = facing_north(t) & turn_right(t) b = facing_south(t) & turn_left(t) c = facing_east(t) & ~turn_left(t) & ~turn_right(t) s = equiv(facing_east(time), a | b | c) self.tell(s) a = facing_north(t) & turn_left(t) b = facing_south(t) & turn_right(t) c = facing_west(t) & ~turn_left(t) & ~turn_right(t) s = equiv(facing_west(time), a | b | c) self.tell(s) a = facing_east(t) & turn_left(t) b = facing_west(t) & turn_right(t) c = facing_north(t) & ~turn_left(t) & ~turn_right(t) s = equiv(facing_north(time), a | b | c) self.tell(s) a = facing_west(t) & turn_left(t) b = facing_east(t) & turn_right(t) c = facing_south(t) & ~turn_left(t) & ~turn_right(t) s = equiv(facing_south(time), a | b | c) self.tell(s) # Rules about last action self.tell(equiv(move_forward(t), ~turn_right(t) & ~turn_left(t))) # Rule about the arrow self.tell(equiv(have_arrow(time), have_arrow(t) & ~shoot(t))) # Rule about Wumpus (dead or alive) self.tell(equiv(wumpus_alive(time), wumpus_alive(t) & ~percept_scream(time))) def ask_if_true(self, query): return pl_resolution(self, query) # ______________________________________________________________________________ class WumpusPosition: def __init__(self, x, y, orientation): self.X = x self.Y = y self.orientation = orientation def get_location(self): return self.X, self.Y def set_location(self, x, y): self.X = x self.Y = y def get_orientation(self): return self.orientation def set_orientation(self, orientation): self.orientation = orientation def __eq__(self, other): if other.get_location() == self.get_location() and other.get_orientation() == self.get_orientation(): return True else: return False # ______________________________________________________________________________ class HybridWumpusAgent(Agent): """ [Figure 7.20] An agent for the wumpus world that does logical inference. """ def __init__(self, dimentions): self.dimrow = dimentions self.kb = WumpusKB(self.dimrow) self.t = 0 self.plan = list() self.current_position = WumpusPosition(1, 1, 'UP') super().__init__(self.execute) def execute(self, percept): self.kb.make_percept_sentence(percept, self.t) self.kb.add_temporal_sentences(self.t) temp = list() for i in range(1, self.dimrow + 1): for j in range(1, self.dimrow + 1): if self.kb.ask_if_true(location(i, j, self.t)): temp.append(i) temp.append(j) if self.kb.ask_if_true(facing_north(self.t)): self.current_position = WumpusPosition(temp[0], temp[1], 'UP') elif self.kb.ask_if_true(facing_south(self.t)): self.current_position = WumpusPosition(temp[0], temp[1], 'DOWN') elif self.kb.ask_if_true(facing_west(self.t)): self.current_position = WumpusPosition(temp[0], temp[1], 'LEFT') elif self.kb.ask_if_true(facing_east(self.t)): self.current_position = WumpusPosition(temp[0], temp[1], 'RIGHT') safe_points = list() for i in range(1, self.dimrow + 1): for j in range(1, self.dimrow + 1): if self.kb.ask_if_true(ok_to_move(i, j, self.t)): safe_points.append([i, j]) if self.kb.ask_if_true(percept_glitter(self.t)): goals = list() goals.append([1, 1]) self.plan.append('Grab') actions = self.plan_route(self.current_position, goals, safe_points) self.plan.extend(actions) self.plan.append('Climb') if len(self.plan) == 0: unvisited = list() for i in range(1, self.dimrow + 1): for j in range(1, self.dimrow + 1): for k in range(self.t): if self.kb.ask_if_true(location(i, j, k)): unvisited.append([i, j]) unvisited_and_safe = list() for u in unvisited: for s in safe_points: if u not in unvisited_and_safe and s == u: unvisited_and_safe.append(u) temp = self.plan_route(self.current_position, unvisited_and_safe, safe_points) self.plan.extend(temp) if len(self.plan) == 0 and self.kb.ask_if_true(have_arrow(self.t)): possible_wumpus = list() for i in range(1, self.dimrow + 1): for j in range(1, self.dimrow + 1): if not self.kb.ask_if_true(wumpus(i, j)): possible_wumpus.append([i, j]) temp = self.plan_shot(self.current_position, possible_wumpus, safe_points) self.plan.extend(temp) if len(self.plan) == 0: not_unsafe = list() for i in range(1, self.dimrow + 1): for j in range(1, self.dimrow + 1): if not self.kb.ask_if_true(ok_to_move(i, j, self.t)): not_unsafe.append([i, j]) temp = self.plan_route(self.current_position, not_unsafe, safe_points) self.plan.extend(temp) if len(self.plan) == 0: start = list() start.append([1, 1]) temp = self.plan_route(self.current_position, start, safe_points) self.plan.extend(temp) self.plan.append('Climb') action = self.plan[0] self.plan = self.plan[1:] self.kb.make_action_sentence(action, self.t) self.t += 1 return action def plan_route(self, current, goals, allowed): problem = PlanRoute(current, goals, allowed, self.dimrow) return astar_search(problem).solution() def plan_shot(self, current, goals, allowed): shooting_positions = set() for loc in goals: x = loc[0] y = loc[1] for i in range(1, self.dimrow + 1): if i < x: shooting_positions.add(WumpusPosition(i, y, 'EAST')) if i > x: shooting_positions.add(WumpusPosition(i, y, 'WEST')) if i < y: shooting_positions.add(WumpusPosition(x, i, 'NORTH')) if i > y: shooting_positions.add(WumpusPosition(x, i, 'SOUTH')) # Can't have a shooting position from any of the rooms the Wumpus could reside orientations = ['EAST', 'WEST', 'NORTH', 'SOUTH'] for loc in goals: for orientation in orientations: shooting_positions.remove(WumpusPosition(loc[0], loc[1], orientation)) actions = list() actions.extend(self.plan_route(current, shooting_positions, allowed)) actions.append('Shoot') return actions # ______________________________________________________________________________ def SAT_plan(init, transition, goal, t_max, SAT_solver=cdcl_satisfiable): """ [Figure 7.22] Converts a planning problem to Satisfaction problem by translating it to a cnf sentence. >>> transition = {'A': {'Left': 'A', 'Right': 'B'}, 'B': {'Left': 'A', 'Right': 'C'}, 'C': {'Left': 'B', 'Right': 'C'}} >>> SAT_plan('A', transition, 'C', 1) is None True """ # Functions used by SAT_plan def translate_to_SAT(init, transition, goal, time): clauses = [] states = [state for state in transition] # Symbol claiming state s at time t state_counter = itertools.count() for s in states: for t in range(time + 1): state_sym[s, t] = Expr('S_{}'.format(next(state_counter))) # Add initial state axiom clauses.append(state_sym[init, 0]) # Add goal state axiom clauses.append(state_sym[first(clause[0] for clause in state_sym if set(conjuncts(clause[0])).issuperset(conjuncts(goal))), time]) \ if isinstance(goal, Expr) else clauses.append(state_sym[goal, time]) # All possible transitions transition_counter = itertools.count() for s in states: for action in transition[s]: s_ = transition[s][action] for t in range(time): # Action 'action' taken from state 's' at time 't' to reach 's_' action_sym[s, action, t] = Expr('T_{}'.format(next(transition_counter))) # Change the state from s to s_ clauses.append(action_sym[s, action, t] | '==>' | state_sym[s, t]) clauses.append(action_sym[s, action, t] | '==>' | state_sym[s_, t + 1]) # Allow only one state at any time for t in range(time + 1): # must be a state at any time clauses.append(associate('|', [state_sym[s, t] for s in states])) for s in states: for s_ in states[states.index(s) + 1:]: # for each pair of states s, s_ only one is possible at time t clauses.append((~state_sym[s, t]) | (~state_sym[s_, t])) # Restrict to one transition per timestep for t in range(time): # list of possible transitions at time t transitions_t = [tr for tr in action_sym if tr[2] == t] # make sure at least one of the transitions happens clauses.append(associate('|', [action_sym[tr] for tr in transitions_t])) for tr in transitions_t: for tr_ in transitions_t[transitions_t.index(tr) + 1:]: # there cannot be two transitions tr and tr_ at time t clauses.append(~action_sym[tr] | ~action_sym[tr_]) # Combine the clauses to form the cnf return associate('&', clauses) def extract_solution(model): true_transitions = [t for t in action_sym if model[action_sym[t]]] # Sort transitions based on time, which is the 3rd element of the tuple true_transitions.sort(key=lambda x: x[2]) return [action for s, action, time in true_transitions] # Body of SAT_plan algorithm for t in range(t_max + 1): # dictionaries to help extract the solution from model state_sym = {} action_sym = {} cnf = translate_to_SAT(init, transition, goal, t) model = SAT_solver(cnf) if model is not False: return extract_solution(model) return None # ______________________________________________________________________________ def unify(x, y, s={}): """ [Figure 9.1] Unify expressions x,y with substitution s; return a substitution that would make x,y equal, or None if x,y can not unify. x and y can be variables (e.g. Expr('x')), constants, lists, or Exprs. >>> unify(x, 3, {}) {x: 3} """ if s is None: return None elif x == y: return s elif is_variable(x): return unify_var(x, y, s) elif is_variable(y): return unify_var(y, x, s) elif isinstance(x, Expr) and isinstance(y, Expr): return unify(x.args, y.args, unify(x.op, y.op, s)) elif isinstance(x, str) or isinstance(y, str): return None elif issequence(x) and issequence(y) and len(x) == len(y): if not x: return s return unify(x[1:], y[1:], unify(x[0], y[0], s)) else: return None def is_variable(x): """A variable is an Expr with no args and a lowercase symbol as the op.""" return isinstance(x, Expr) and not x.args and x.op[0].islower() def unify_var(var, x, s): if var in s: return unify(s[var], x, s) elif x in s: return unify(var, s[x], s) elif occur_check(var, x, s): return None else: new_s = extend(s, var, x) cascade_substitution(new_s) return new_s def occur_check(var, x, s): """Return true if variable var occurs anywhere in x (or in subst(s, x), if s has a binding for x).""" if var == x: return True elif is_variable(x) and x in s: return occur_check(var, s[x], s) elif isinstance(x, Expr): return (occur_check(var, x.op, s) or occur_check(var, x.args, s)) elif isinstance(x, (list, tuple)): return first(e for e in x if occur_check(var, e, s)) else: return False def subst(s, x): """Substitute the substitution s into the expression x. >>> subst({x: 42, y:0}, F(x) + y) (F(42) + 0) """ if isinstance(x, list): return [subst(s, xi) for xi in x] elif isinstance(x, tuple): return tuple([subst(s, xi) for xi in x]) elif not isinstance(x, Expr): return x elif is_var_symbol(x.op): return s.get(x, x) else: return Expr(x.op, *[subst(s, arg) for arg in x.args]) def cascade_substitution(s): """This method allows to return a correct unifier in normal form and perform a cascade substitution to s. For every mapping in s perform a cascade substitution on s.get(x) and if it is replaced with a function ensure that all the function terms are correct updates by passing over them again. >>> s = {x: y, y: G(z)} >>> cascade_substitution(s) >>> s == {x: G(z), y: G(z)} True """ for x in s: s[x] = subst(s, s.get(x)) if isinstance(s.get(x), Expr) and not is_variable(s.get(x)): # Ensure Function Terms are correct updates by passing over them again s[x] = subst(s, s.get(x)) def unify_mm(x, y, s={}): """Unify expressions x,y with substitution s using an efficient rule-based unification algorithm by Martelli & Montanari; return a substitution that would make x,y equal, or None if x,y can not unify. x and y can be variables (e.g. Expr('x')), constants, lists, or Exprs. >>> unify_mm(x, 3, {}) {x: 3} """ set_eq = extend(s, x, y) s = set_eq.copy() while True: trans = 0 for x, y in set_eq.items(): if x == y: # if x = y this mapping is deleted (rule b) del s[x] elif not is_variable(x) and is_variable(y): # if x is not a variable and y is a variable, rewrite it as y = x in s (rule a) if s.get(y, None) is None: s[y] = x del s[x] else: # if a mapping already exist for variable y then apply # variable elimination (there is a chance to apply rule d) s[x] = vars_elimination(y, s) elif not is_variable(x) and not is_variable(y): # in which case x and y are not variables, if the two root function symbols # are different, stop with failure, else apply term reduction (rule c) if x.op is y.op and len(x.args) == len(y.args): term_reduction(x, y, s) del s[x] else: return None elif isinstance(y, Expr): # in which case x is a variable and y is a function or a variable (e.g. F(z) or y), # if y is a function, we must check if x occurs in y, then stop with failure, else # try to apply variable elimination to y (rule d) if occur_check(x, y, s): return None s[x] = vars_elimination(y, s) if y == s.get(x): trans += 1 else: trans += 1 if trans == len(set_eq): # if no transformation has been applied, stop with success return s set_eq = s.copy() def term_reduction(x, y, s): """Apply term reduction to x and y if both are functions and the two root function symbols are equals (e.g. F(x1, x2, ..., xn) and F(x1', x2', ..., xn')) by returning a new mapping obtained by replacing x: y with {x1: x1', x2: x2', ..., xn: xn'} """ for i in range(len(x.args)): if x.args[i] in s: s[s.get(x.args[i])] = y.args[i] else: s[x.args[i]] = y.args[i] def vars_elimination(x, s): """Apply variable elimination to x: if x is a variable and occurs in s, return the term mapped by x, else if x is a function recursively applies variable elimination to each term of the function.""" if not isinstance(x, Expr): return x if is_variable(x): return s.get(x, x) return Expr(x.op, *[vars_elimination(arg, s) for arg in x.args]) def standardize_variables(sentence, dic=None): """Replace all the variables in sentence with new variables.""" if dic is None: dic = {} if not isinstance(sentence, Expr): return sentence elif is_var_symbol(sentence.op): if sentence in dic: return dic[sentence] else: v = Expr('v_{}'.format(next(standardize_variables.counter))) dic[sentence] = v return v else: return Expr(sentence.op, *[standardize_variables(a, dic) for a in sentence.args]) standardize_variables.counter = itertools.count() # ______________________________________________________________________________ def parse_clauses_from_dimacs(dimacs_cnf): """Converts a string into CNF clauses according to the DIMACS format used in SAT competitions""" return map(lambda c: associate('|', c), map(lambda c: [expr('~X' + str(abs(l))) if l < 0 else expr('X' + str(l)) for l in c], map(lambda line: map(int, line.split()), filter(None, ' '.join( filter(lambda line: line[0] not in ('c', 'p'), filter(None, dimacs_cnf.strip().replace('\t', ' ').split('\n')))).split(' 0'))))) # ______________________________________________________________________________ class FolKB(KB): """A knowledge base consisting of first-order definite clauses. >>> kb0 = FolKB([expr('Farmer(Mac)'), expr('Rabbit(Pete)'), ... expr('(Rabbit(r) & Farmer(f)) ==> Hates(f, r)')]) >>> kb0.tell(expr('Rabbit(Flopsie)')) >>> kb0.retract(expr('Rabbit(Pete)')) >>> kb0.ask(expr('Hates(Mac, x)'))[x] Flopsie >>> kb0.ask(expr('Wife(Pete, x)')) False """ def __init__(self, clauses=None): super().__init__() self.clauses = [] # inefficient: no indexing if clauses: for clause in clauses: self.tell(clause) def tell(self, sentence): if is_definite_clause(sentence): self.clauses.append(sentence) else: raise Exception('Not a definite clause: {}'.format(sentence)) def ask_generator(self, query): return fol_bc_ask(self, query) def retract(self, sentence): self.clauses.remove(sentence) def fetch_rules_for_goal(self, goal): return self.clauses def fol_fc_ask(kb, alpha): """ [Figure 9.3] A simple forward-chaining algorithm. """ # TODO: improve efficiency kb_consts = list({c for clause in kb.clauses for c in constant_symbols(clause)}) def enum_subst(p): query_vars = list({v for clause in p for v in variables(clause)}) for assignment_list in itertools.product(kb_consts, repeat=len(query_vars)): theta = {x: y for x, y in zip(query_vars, assignment_list)} yield theta # check if we can answer without new inferences for q in kb.clauses: phi = unify_mm(q, alpha) if phi is not None: yield phi while True: new = [] for rule in kb.clauses: p, q = parse_definite_clause(rule) for theta in enum_subst(p): if set(subst(theta, p)).issubset(set(kb.clauses)): q_ = subst(theta, q) if all([unify_mm(x, q_) is None for x in kb.clauses + new]): new.append(q_) phi = unify_mm(q_, alpha) if phi is not None: yield phi if not new: break for clause in new: kb.tell(clause) return None def fol_bc_ask(kb, query): """ [Figure 9.6] A simple backward-chaining algorithm for first-order logic. KB should be an instance of FolKB, and query an atomic sentence. """ return fol_bc_or(kb, query, {}) def fol_bc_or(kb, goal, theta): for rule in kb.fetch_rules_for_goal(goal): lhs, rhs = parse_definite_clause(standardize_variables(rule)) for theta1 in fol_bc_and(kb, lhs, unify_mm(rhs, goal, theta)): yield theta1 def fol_bc_and(kb, goals, theta): if theta is None: pass elif not goals: yield theta else: first, rest = goals[0], goals[1:] for theta1 in fol_bc_or(kb, subst(theta, first), theta): for theta2 in fol_bc_and(kb, rest, theta1): yield theta2 # A simple KB that defines the relevant conditions of the Wumpus World as in Figure 7.4. # See Sec. 7.4.3 wumpus_kb = PropKB() P11, P12, P21, P22, P31, B11, B21 = expr('P11, P12, P21, P22, P31, B11, B21') wumpus_kb.tell(~P11) wumpus_kb.tell(B11 | '<=>' | (P12 | P21)) wumpus_kb.tell(B21 | '<=>' | (P11 | P22 | P31)) wumpus_kb.tell(~B11) wumpus_kb.tell(B21) test_kb = FolKB(map(expr, ['Farmer(Mac)', 'Rabbit(Pete)', 'Mother(MrsMac, Mac)', 'Mother(MrsRabbit, Pete)', '(Rabbit(r) & Farmer(f)) ==> Hates(f, r)', '(Mother(m, c)) ==> Loves(m, c)', '(Mother(m, r) & Rabbit(r)) ==> Rabbit(m)', '(Farmer(f)) ==> Human(f)', # Note that this order of conjuncts # would result in infinite recursion: # '(Human(h) & Mother(m, h)) ==> Human(m)' '(Mother(m, h) & Human(h)) ==> Human(m)'])) crime_kb = FolKB(map(expr, ['(American(x) & Weapon(y) & Sells(x, y, z) & Hostile(z)) ==> Criminal(x)', 'Owns(Nono, M1)', 'Missile(M1)', '(Missile(x) & Owns(Nono, x)) ==> Sells(West, x, Nono)', 'Missile(x) ==> Weapon(x)', 'Enemy(x, America) ==> Hostile(x)', 'American(West)', 'Enemy(Nono, America)'])) # ______________________________________________________________________________ # Example application (not in the book). # You can use the Expr class to do symbolic differentiation. This used to be # a part of AI; now it is considered a separate field, Symbolic Algebra. def diff(y, x): """Return the symbolic derivative, dy/dx, as an Expr. However, you probably want to simplify the results with simp. >>> diff(x * x, x) ((x * 1) + (x * 1)) """ if y == x: return 1 elif not y.args: return 0 else: u, op, v = y.args[0], y.op, y.args[-1] if op == '+': return diff(u, x) + diff(v, x) elif op == '-' and len(y.args) == 1: return -diff(u, x) elif op == '-': return diff(u, x) - diff(v, x) elif op == '*': return u * diff(v, x) + v * diff(u, x) elif op == '/': return (v * diff(u, x) - u * diff(v, x)) / (v * v) elif op == '**' and isnumber(x.op): return v * u ** (v - 1) * diff(u, x) elif op == '**': return (v * u ** (v - 1) * diff(u, x) + u ** v * Expr('log')(u) * diff(v, x)) elif op == 'log': return diff(u, x) / u else: raise ValueError('Unknown op: {} in diff({}, {})'.format(op, y, x)) def simp(x): """Simplify the expression x.""" if isnumber(x) or not x.args: return x args = list(map(simp, x.args)) u, op, v = args[0], x.op, args[-1] if op == '+': if v == 0: return u if u == 0: return v if u == v: return 2 * u if u == -v or v == -u: return 0 elif op == '-' and len(args) == 1: if u.op == '-' and len(u.args) == 1: return u.args[0] # --y ==> y elif op == '-': if v == 0: return u if u == 0: return -v if u == v: return 0 if u == -v or v == -u: return 0 elif op == '*': if u == 0 or v == 0: return 0 if u == 1: return v if v == 1: return u if u == v: return u ** 2 elif op == '/': if u == 0: return 0 if v == 0: return Expr('Undefined') if u == v: return 1 if u == -v or v == -u: return 0 elif op == '**': if u == 0: return 0 if v == 0: return 1 if u == 1: return 1 if v == 1: return u elif op == 'log': if u == 1: return 0 else: raise ValueError('Unknown op: ' + op) # If we fall through to here, we can not simplify further return Expr(op, *args) def d(y, x): """Differentiate and then simplify. >>> d(x * x - x, x) ((2 * x) - 1) """ return simp(diff(y, x))
aimacode/aima-python
logic.py
Python
mit
74,057
[ "VisIt" ]
6256ee9a00b76d00d3c92e6007794349e6619cc4433b77ce1f98f9c2ddab1691
from itertools import cycle import random import math import sys from Net4 import * import pygame from pygame.locals import * from pickle import HIGHEST_PROTOCOL from pickle import dump FPS = float("inf") SCREENWIDTH = 288 SCREENHEIGHT = 512 # amount by which base can maximum shift to left PIPEGAPSIZE = 100 # gap between upper and lower part of pipe BASEY = SCREENHEIGHT * 0.79 # image, sound and hitmask dicts IMAGES, SOUNDS, HITMASKS = {}, {}, {} POPULATION_SIZE = 50 GRAPHICS = True TEXT = True networks = [Network([[],[],[],[],[]]) for i in range(POPULATION_SIZE)] def KillNets(networks, fitnesses, grad = 2): yx=zip(fitnesses, networks) yx.sort() s = [x for (y,x) in yx] for i in range(POPULATION_SIZE/2): rand = random.random()**grad index = int(rand*len(s)) s.pop(index) return s def DivNets(networks): output = [] for network in networks: parent, child = DivNet(network) output.extend([parent, child]) return output for network in networks: network.nextupdates = set(list(network.neurons)) for i in range(5): mutation = random.choice(mutations.keys()) if random.random() < mutations[mutation]: mutation(network) # list of all possible players (tuple of 3 positions of flap) PLAYERS_LIST = ( # red bird ( 'assets/sprites/redbird-upflap.png', 'assets/sprites/redbird-midflap.png', 'assets/sprites/redbird-downflap.png', ), # blue bird ( # amount by which base can maximum shift to left 'assets/sprites/bluebird-upflap.png', 'assets/sprites/bluebird-midflap.png', 'assets/sprites/bluebird-downflap.png', ), # yellow bird ( 'assets/sprites/yellowbird-upflap.png', 'assets/sprites/yellowbird-midflap.png', 'assets/sprites/yellowbird-downflap.png', ), ) # list of backgrounds BACKGROUNDS_LIST = ( 'assets/sprites/background-day.png', 'assets/sprites/background-night.png', ) # list of pipes PIPES_LIST = ( 'assets/sprites/pipe-green.png', 'assets/sprites/pipe-red.png', ) def main(): global SCREEN, FPSCLOCK, networks, GRAPHICS, TEXT, FPS pygame.init() FPSCLOCK = pygame.time.Clock() SCREEN = pygame.display.set_mode((SCREENWIDTH, SCREENHEIGHT)) pygame.display.set_caption('Flappy Bird') # numbers sprites for score display IMAGES['numbers'] = ( pygame.image.load('assets/sprites/0.png').convert_alpha(), pygame.image.load('assets/sprites/1.png').convert_alpha(), pygame.image.load('assets/sprites/2.png').convert_alpha(), pygame.image.load('assets/sprites/3.png').convert_alpha(), pygame.image.load('assets/sprites/4.png').convert_alpha(), pygame.image.load('assets/sprites/5.png').convert_alpha(), pygame.image.load('assets/sprites/6.png').convert_alpha(), pygame.image.load('assets/sprites/7.png').convert_alpha(), pygame.image.load('assets/sprites/8.png').convert_alpha(), pygame.image.load('assets/sprites/9.png').convert_alpha() ) # game over sprite IMAGES['gameover'] = pygame.image.load('assets/sprites/gameover.png').convert_alpha() # message sprite for welcome screen IMAGES['message'] = pygame.image.load('assets/sprites/message.png').convert_alpha() # base (ground) sprite IMAGES['base'] = pygame.image.load('assets/sprites/base.png').convert_alpha() # sounds if 'win' in sys.platform: soundExt = '.wav' else: soundExt = '.ogg' SOUNDS['die'] = pygame.mixer.Sound('assets/audio/die' + soundExt) SOUNDS['hit'] = pygame.mixer.Sound('assets/audio/hit' + soundExt) SOUNDS['point'] = pygame.mixer.Sound('assets/audio/point' + soundExt) SOUNDS['swoosh'] = pygame.mixer.Sound('assets/audio/swoosh' + soundExt) SOUNDS['wing'] = pygame.mixer.Sound('assets/audio/wing' + soundExt) gen = 0 while True: org = 0 fit = [] for network in networks: if TEXT: print "Generation "+str(gen)+" Organism "+str(org) network.nextupdates = set(network.neurons) for neuron in network.neurons: neuron.initiallastout = neuron.lastout fitness = Test(network) for neuron in network.neurons: neuron.lastout = neuron.initiallastout if TEXT: print "Fitness: "+str(fitness) fit.append(fitness) org += 1 maxfitness = max(fit) if TEXT: print "--------" print "Gen Fitness: "+str(maxfitness) print "--------" with open("NETWORK", "wb") as output: dump(networks[fit.index(maxfitness)], output, HIGHEST_PROTOCOL) networks = KillNets(networks, fit) networks = DivNets(networks) random.shuffle(networks) gen += 1 def Test(network): # select random background sprites randBg = 0 IMAGES['background'] = pygame.image.load(BACKGROUNDS_LIST[randBg]).convert() # select random player sprites randPlayer = 0 IMAGES['player'] = ( pygame.image.load(PLAYERS_LIST[randPlayer][0]).convert_alpha(), pygame.image.load(PLAYERS_LIST[randPlayer][1]).convert_alpha(), pygame.image.load(PLAYERS_LIST[randPlayer][2]).convert_alpha(), ) # select random pipe sprites pipeindex = random.randint(0, len(PIPES_LIST) - 1) IMAGES['pipe'] = ( pygame.transform.rotate( pygame.image.load(PIPES_LIST[pipeindex]).convert_alpha(), 180), pygame.image.load(PIPES_LIST[pipeindex]).convert_alpha(), ) # hismask for pipes HITMASKS['pipe'] = ( getHitmask(IMAGES['pipe'][0]), getHitmask(IMAGES['pipe'][1]), ) # hitmask for player HITMASKS['player'] = ( getHitmask(IMAGES['player'][0]), getHitmask(IMAGES['player'][1]), getHitmask(IMAGES['player'][2]), ) return mainGame({"playery":25, "basex": 50, "playerIndexGen":cycle([0, 1, 2, 1])}, network) def showWelcomeAnimation(): """Shows welcome screen animation of flappy bird""" # index of player to blit on screen playerIndex = 0 playerIndexGen = cycle([0, 1, 2, 1]) # iterator used to change playerIndex after every 5th iteration loopIter = 0 playerx = int(SCREENWIDTH * 0.2) playery = int((SCREENHEIGHT - IMAGES['player'][0].get_height()) / 2) messagex = int((SCREENWIDTH - IMAGES['message'].get_width()) / 2) messagey = int(SCREENHEIGHT * 0.12) basex = 0 # amount by which base can maximum shift to left baseShift = IMAGES['base'].get_width() - IMAGES['background'].get_width() # player shm for up-down motion on welcome screen playerShmVals = {'val': 0, 'dir': 1} while True: for event in pygame.event.get(): if event.type == QUIT or (event.type == KEYDOWN and event.key == K_ESCAPE): pygame.quit() sys.exit() if event.type == KEYDOWN and (event.key == K_SPACE or event.key == K_UP): # make first flap sound and return values for mainGame SOUNDS['wing'].play() return { 'playery': playery + playerShmVals['val'], 'basex': basex, 'playerIndexGen': playerIndexGen, } # adjust playery, playerIndex, basex if (loopIter + 1) % 5 == 0: playerIndex = playerIndexGen.next() loopIter = (loopIter + 1) % 30 basex = -((-basex + 4) % baseShift) playerShm(playerShmVals) # draw sprites SCREEN.blit(IMAGES['background'], (0,0)) SCREEN.blit(IMAGES['player'][playerIndex], (playerx, playery + playerShmVals['val'])) SCREEN.blit(IMAGES['message'], (messagex, messagey)) SCREEN.blit(IMAGES['base'], (basex, BASEY)) pygame.display.update() FPSCLOCK.tick(FPS) def mainGame(movementInfo, network): global GRAPHICS, TEXT, FPS fitness = 0 score = playerIndex = loopIter = 0 playerIndexGen = movementInfo['playerIndexGen'] playerx, playery = int(SCREENWIDTH * 0.2), SCREENHEIGHT/2 - 100 basex = movementInfo['basex'] baseShift = IMAGES['base'].get_width() - IMAGES['background'].get_width() # get 2 new pipes to add to upperPipes lowerPipes list newPipe1 = getRandomPipe() newPipe2 = getRandomPipe() # list of upper pipes upperPipes = [ {'x': SCREENWIDTH + 200, 'y': newPipe1[0]['y']}, ] # list of lowerpipe lowerPipes = [ {'x': SCREENWIDTH + 200, 'y': newPipe1[1]['y']}, ] pipeVelX = -4 # player velocity, max velocity, downward accleration, accleration on flap playerVelY = 0 # player's velocity along Y, default same as playerFlapped playerMaxVelY = 10 # max vel along Y, max descend speed playerMinVelY = -8 # min vel along Y, max ascend speed playerAccY = 1 # players downward accleration playerFlapAcc = -9 # players speed on flapping playerFlapped = False # True when player flaps threshold = True while True: for event in pygame.event.get(): if event.type == QUIT or (event.type == KEYDOWN and event.key == K_ESCAPE): pygame.quit() sys.exit() if event.type == KEYDOWN: if event.key == K_s: FPS = 30 elif event.key == K_f: FPS = float("inf") elif event.key == K_t: TEXT = not TEXT elif event.key == K_g: GRAPHICS = not GRAPHICS if len(network.neurons) >= 1: if network.neurons[0].lastout <= 0.5: threshold = True elif network.neurons[0].lastout > 0.5 and threshold: if playery > -2 * IMAGES['player'][0].get_height(): playerVelY = playerFlapAcc playerFlapped = True SOUNDS['wing'].play() threshold = False for ind in network.inputs1: network.neurons[ind].lastout = (lowerPipes[-1]["y"]/2.0+upperPipes[-1]["y"]/2.0)/SCREENHEIGHT for ind in network.inputs2: network.neurons[ind].lastout = float(playery)/SCREENHEIGHT # check for crash here crashTest = checkCrash({'x': playerx, 'y': playery, 'index': playerIndex}, upperPipes, lowerPipes) if crashTest[0]: return fitness # check for score playerMidPos = playerx + IMAGES['player'][0].get_width() / 2 for pipe in upperPipes: pipeMidPos = pipe['x'] + IMAGES['pipe'][0].get_width() / 2 if pipeMidPos <= playerMidPos < pipeMidPos + 4: score += 1 SOUNDS['point'].play() newPipe = getRandomPipe() upperPipes.append(newPipe[0]) lowerPipes.append(newPipe[1]) # playerIndex basex change if (loopIter + 1) % 3 == 0: playerIndex = playerIndexGen.next() loopIter = (loopIter + 1) % 30 basex = -((-basex + 100) % baseShift) # player's movement if playerVelY < playerMaxVelY and not playerFlapped: playerVelY += playerAccY if playerFlapped: playerFlapped = False playerHeight = IMAGES['player'][playerIndex].get_height() playery += min(playerVelY, BASEY - playery - playerHeight) # move pipes to left for uPipe, lPipe in zip(upperPipes, lowerPipes): uPipe['x'] += pipeVelX lPipe['x'] += pipeVelX # add new pipe when first pipe is about to touch left of screen # remove first pipe if its out of the screen if upperPipes[0]['x'] < -IMAGES['pipe'][0].get_width(): upperPipes.pop(0) lowerPipes.pop(0) # draw sprites if GRAPHICS: SCREEN.blit(IMAGES['background'], (0,0)) for uPipe, lPipe in zip(upperPipes, lowerPipes): SCREEN.blit(IMAGES['pipe'][0], (uPipe['x'], uPipe['y'])) SCREEN.blit(IMAGES['pipe'][1], (lPipe['x'], lPipe['y'])) SCREEN.blit(IMAGES['base'], (basex, BASEY)) # print score so player overlaps the score showScore(score) SCREEN.blit(IMAGES['player'][playerIndex], (playerx, playery)) fitness += 1 if GRAPHICS: pygame.display.update() FPSCLOCK.tick(FPS) network.Step() def showGameOverScreen(crashInfo): """crashes the player down and shows gameover image""" score = crashInfo['score'] playerx = SCREENWIDTH * 0.2 playery = crashInfo['y'] playerHeight = IMAGES['player'][0].get_height() playerVelY = crashInfo['playerVelY'] playerAccY = 2 basex = crashInfo['basex'] upperPipes, lowerPipes = crashInfo['upperPipes'], crashInfo['lowerPipes'] # play hit and die sounds SOUNDS['hit'].play() if not crashInfo['groundCrash']: SOUNDS['die'].play() while True: for event in pygame.event.get(): if event.type == QUIT or (event.type == KEYDOWN and event.key == K_ESCAPE): pygame.quit() sys.exit() if event.type == KEYDOWN and (event.key == K_SPACE or event.key == K_UP): if playery + playerHeight >= BASEY - 1: return # player y shift if playery + playerHeight < BASEY - 1: playery += min(playerVelY, BASEY - playery - playerHeight) # player velocity change if playerVelY < 15: playerVelY += playerAccY # draw sprites SCREEN.blit(IMAGES['background'], (0,0)) for uPipe, lPipe in zip(upperPipes, lowerPipes): SCREEN.blit(IMAGES['pipe'][0], (uPipe['x'], uPipe['y'])) SCREEN.blit(IMAGES['pipe'][1], (lPipe['x'], lPipe['y'])) SCREEN.blit(IMAGES['base'], (basex, BASEY)) showScore(score) SCREEN.blit(IMAGES['player'][1], (playerx,playery)) FPSCLOCK.tick(FPS) pygame.display.update() def playerShm(playerShm): """oscillates the value of playerShm['val'] between 8 and -8""" if abs(playerShm['val']) == 8: playerShm['dir'] *= -1 if playerShm['dir'] == 1: playerShm['val'] += 1 else: playerShm['val'] -= 1 def getRandomPipe(): """returns a randomly generated pipe""" # y of gap between upper and lower pipe gapY = random.randrange(0, int(BASEY * 0.6 - PIPEGAPSIZE)) gapY += int(BASEY * 0.2) pipeHeight = IMAGES['pipe'][0].get_height() pipeX = SCREENWIDTH + 10 return [ {'x': pipeX, 'y': gapY - pipeHeight}, # upper pipe {'x': pipeX, 'y': gapY + PIPEGAPSIZE}, # lower pipe ] def showScore(score): """displays score in center of screen""" scoreDigits = [int(x) for x in list(str(score))] totalWidth = 0 # total width of all numbers to be printed for digit in scoreDigits: totalWidth += IMAGES['numbers'][digit].get_width() Xoffset = (SCREENWIDTH - totalWidth) / 2 for digit in scoreDigits: SCREEN.blit(IMAGES['numbers'][digit], (Xoffset, SCREENHEIGHT * 0.1)) Xoffset += IMAGES['numbers'][digit].get_width() def checkCrash(player, upperPipes, lowerPipes): """returns True if player collders with base or pipes.""" pi = player['index'] player['w'] = IMAGES['player'][0].get_width() player['h'] = IMAGES['player'][0].get_height() # if player crashes into ground if player['y'] + player['h'] >= BASEY - 1: return [True, True] if player['y'] + player['h'] <= 0: return [True, True] else: playerRect = pygame.Rect(player['x'], player['y'], player['w'], player['h']) pipeW = IMAGES['pipe'][0].get_width() pipeH = IMAGES['pipe'][0].get_height() for uPipe, lPipe in zip(upperPipes, lowerPipes): # upper and lower pipe rects uPipeRect = pygame.Rect(uPipe['x'], uPipe['y'], pipeW, pipeH) lPipeRect = pygame.Rect(lPipe['x'], lPipe['y'], pipeW, pipeH) # player and upper/lower pipe hitmasks pHitMask = HITMASKS['player'][pi] uHitmask = HITMASKS['pipe'][0] lHitmask = HITMASKS['pipe'][1] # if bird collided with upipe or lpipe uCollide = pixelCollision(playerRect, uPipeRect, pHitMask, uHitmask) lCollide = pixelCollision(playerRect, lPipeRect, pHitMask, lHitmask) if uCollide or lCollide: return [True, False] return [False, False] def pixelCollision(rect1, rect2, hitmask1, hitmask2): """Checks if two objects collide and not just their rects""" rect = rect1.clip(rect2) if rect.width == 0 or rect.height == 0: return False x1, y1 = rect.x - rect1.x, rect.y - rect1.y x2, y2 = rect.x - rect2.x, rect.y - rect2.y for x in xrange(rect.width): for y in xrange(rect.height): if hitmask1[x1+x][y1+y] and hitmask2[x2+x][y2+y]: return True return False def getHitmask(image): """returns a hitmask using an image's alpha.""" mask = [] for x in range(image.get_width()): mask.append([]) for y in range(image.get_height()): mask[x].append(bool(image.get_at((x,y))[3])) return mask if __name__ == '__main__': main()
computergeek314/FlapPy-Network
flappy.py
Python
mit
15,318
[ "NEURON" ]
2fea58b81a037740453ae7f93236ac652b0362026fd533c224db824d1ccb25a6
# Licensed under a 3-clause BSD style license - see LICENSE.rst from __future__ import absolute_import, division, print_function import copy from functools import wraps import numpy as np import pyLikelihood as pyLike from SrcModel import SourceModel from AnalysisBase import AnalysisBase from LikelihoodState import LikelihoodState import pyIrfLoader pyIrfLoader.Loader_go() _funcFactory = pyLike.SourceFactory_funcFactory() import BinnedAnalysis import SummedLikelihood from fermipy import utils from fermipy import model_utils evtype_string = { 4: 'PSF0', 8: 'PSF1', 16: 'PSF2', 32: 'PSF3' } def bitmask_to_bits(mask): bits = [] for i in range(32): if mask & (2**i): bits += [2**i] return bits DEFAULT_SCALE_DICT = {'value': 1000.0, 'scale': 1.0, 'min': 0.001, 'max': 1000.0} DEFAULT_NORM_DICT = {'value': 1E-12, 'scale': 1.0, 'min': 1E-5, 'max': 1000.0} DEFAULT_INTEGRAL_DICT = {'value': 1E-6, 'scale': 1.0, 'min': 1E-5, 'max': 1000.0} DEFAULT_INDEX_DICT = {'value': 2.0, 'scale': -1.0, 'min': 0.0, 'max': 5.0} FUNCTION_NORM_PARS = {} FUNCTION_PAR_NAMES = {} FUNCTION_DEFAULT_PARS = { 'PowerLaw': { 'Index': DEFAULT_INDEX_DICT, 'Scale': DEFAULT_SCALE_DICT, 'Prefactor': DEFAULT_NORM_DICT}, 'PowerLaw2': { 'Index': DEFAULT_INDEX_DICT, 'LowerLimit': {'value': 100.0, 'scale': 1.0, 'min': 20.0, 'max': 1000000.}, 'UpperLimit': {'value': 100000.0, 'scale': 1.0, 'min': 20.0, 'max': 1000000.}, 'Integral': DEFAULT_INTEGRAL_DICT}, 'BrokenPowerLaw': { 'Index1': DEFAULT_INDEX_DICT, 'Index2': DEFAULT_INDEX_DICT, 'BreakValue': DEFAULT_SCALE_DICT, 'Prefactor': DEFAULT_NORM_DICT}, 'BrokenPowerLaw2': { 'Index1': DEFAULT_INDEX_DICT, 'Index2': DEFAULT_INDEX_DICT, 'LowerLimit': {'value': 100.0, 'scale': 1.0, 'min': 20.0, 'max': 1000000.}, 'UpperLimit': {'value': 100000.0, 'scale': 1.0, 'min': 20.0, 'max': 1000000.}, 'BreakValue': DEFAULT_SCALE_DICT, 'Integral': DEFAULT_INTEGRAL_DICT}, 'BPLExpCutoff': { 'Index1': DEFAULT_INDEX_DICT, 'Index2': DEFAULT_INDEX_DICT, 'BreakValue': DEFAULT_SCALE_DICT, 'Prefactor': DEFAULT_NORM_DICT}, 'SmoothBrokenPowerLaw': { 'Index1': DEFAULT_INDEX_DICT, 'Index2': DEFAULT_INDEX_DICT, 'BreakValue': DEFAULT_SCALE_DICT, 'Prefactor': DEFAULT_NORM_DICT, 'Beta': {'value': 0.2, 'scale': 1.0, 'min': 0.01, 'max': 10.0}}, 'PLSuperExpCutoff': { 'Cutoff': DEFAULT_SCALE_DICT, 'Index1': {'value': 2.0, 'scale': -1.0, 'min': 0.0, 'max': 5.0}, 'Index2': {'value': 1.0, 'scale': 1.0, 'min': 0.0, 'max': 2.0}, 'Prefactor': DEFAULT_NORM_DICT, }, 'LogParabola': { 'norm': DEFAULT_NORM_DICT, 'alpha': {'value': 2.0, 'scale': 1.0, 'min': -5.0, 'max': 5.0}, 'beta': {'value': 0.0, 'scale': 1.0, 'min': -2.0, 'max': 2.0}, 'Eb': DEFAULT_SCALE_DICT}, 'SpatialMap': { 'Prefactor': {'value': 1.0, 'scale': 1.0, 'min': 1.0, 'max': 1.0}}, 'ConstantValue': { 'Normalization': {'value': 1.0, 'scale': 1.0, 'min': 1E-5, 'max': 1000.0}}, 'FileFunction': { 'Normalization': {'value': 1.0, 'scale': 1.0, 'min': 1E-5, 'max': 1000.0}}, 'Gaussian': { 'Mean': {'value': 1000.0, 'scale': 1.0, 'min': 1E-5, 'max': 1E5}, 'Sigma': {'value': 100.0, 'scale': 1.0, 'min': 10., 'max': 1E5}, 'Prefactor': DEFAULT_NORM_DICT}, } def init_function_pars(): global FUNCTION_PAR_NAMES global FUNCTION_NORM_PARS global FUNCTION_DEFAULT_PARS FUNCTION_PAR_NAMES = {} FUNCTION_NORM_PARS = {} funcFactory = pyLike.SourceFactory_funcFactory() names = pyLike.StringVector() funcFactory.getFunctionNames(names) for fname in names: pars = FUNCTION_DEFAULT_PARS.setdefault(fname, {}) par_names = FUNCTION_PAR_NAMES.setdefault(fname, []) if 'EblAtten' in fname and fname[len('EblAtten::'):] in FUNCTION_DEFAULT_PARS: pars.update(FUNCTION_DEFAULT_PARS[fname[len('EblAtten::'):]]) fn = funcFactory.create(fname) try: FUNCTION_NORM_PARS[fname] = fn.normPar().getName() except Exception: FUNCTION_NORM_PARS[fname] = None params = pyLike.ParameterVector() fn.getParams(params) for i, p in enumerate(params): pname = p.getName() par_names += [pname] if pname == 'Scale': pars.setdefault(pname, DEFAULT_SCALE_DICT) elif pname == 'Prefactor': pars.setdefault(pname, DEFAULT_NORM_DICT) else: pars.setdefault(pname, {}) bounds = p.getBounds() par_dict = dict(name=pname, value=p.getValue(), min=bounds[0], max=bounds[1], scale=1.0, free=False) par_dict.update(copy.deepcopy(pars[pname])) par_dict['name'] = pname pars[pname] = par_dict def get_function_par_names(function_type): if not FUNCTION_NORM_PARS: init_function_pars() if not function_type in FUNCTION_PAR_NAMES.keys(): raise Exception('Invalid Function Type: %s' % function_type) return copy.deepcopy(FUNCTION_PAR_NAMES[function_type]) def get_function_norm_par_name(function_type): if not FUNCTION_NORM_PARS: init_function_pars() return FUNCTION_NORM_PARS[function_type] def get_function_defaults(function_type): if not FUNCTION_NORM_PARS: init_function_pars() return copy.deepcopy(FUNCTION_DEFAULT_PARS[function_type]) def build_piecewise_powerlaw(fn, spectral_pars): ppl = pyLike.PiecewisePowerLaw.cast(fn) index_l = spectral_pars['IndexL']['value'] index_h = spectral_pars['IndexH']['value'] i = 0 energies = pyLike.DoubleVector() dndes = pyLike.DoubleVector() while True: try: energy = spectral_pars['Energy%i'%i]['value'] dnde = spectral_pars['dNdE%i'%i]['value'] energies.push_back(energy) dndes.push_back(dnde) i += 1 except KeyError: break ppl.addParams(index_l, index_h, dndes, energies) def create_spectrum_from_dict(spectrum_type, spectral_pars, fn=None): """Create a Function object from a parameter dictionary. Parameters ---------- spectrum_type : str String identifying the spectrum type (e.g. PowerLaw). spectral_pars : dict Dictionary of spectral parameters. """ if fn is None: fn = pyLike.SourceFactory_funcFactory().create(str(spectrum_type)) if spectrum_type == 'PiecewisePowerLaw': build_piecewise_powerlaw(fn, spectral_pars) for k, v in spectral_pars.items(): v.setdefault('scale', 1.0) v.setdefault('min', v['value'] * 1E-3) v.setdefault('max', v['value'] * 1E3) par = fn.getParam(str(k)) vmin = min(float(v['value']), float(v['min'])) vmax = max(float(v['value']), float(v['max'])) par.setValue(float(v['value'])) par.setBounds(vmin, vmax) par.setScale(float(v['scale'])) if 'free' in v and int(v['free']) != 0: par.setFree(True) else: par.setFree(False) fn.setParam(par) return fn def gtlike_spectrum_to_dict(spectrum): """ Convert a pyLikelihood object to a python dictionary which can be easily saved to a file.""" parameters = pyLike.ParameterVector() spectrum.getParams(parameters) d = dict(spectrum_type=spectrum.genericName()) for p in parameters: pname = p.getName() pval = p.getTrueValue() perr = abs(p.error() * p.getScale()) if p.isFree() else np.nan d[pname] = np.array([pval, perr]) if d['spectrum_type'] == 'FileFunction': ff = pyLike.FileFunction_cast(spectrum) d['file'] = ff.filename() return d def gtlike_spectrum_to_vectors(spectrum): """ Convert a pyLikelihood object to a python dictionary which can be easily saved to a file.""" parameters = pyLike.ParameterVector() spectrum.getParams(parameters) npar = max(parameters.size(), 10) o = {'param_names': np.zeros(npar, dtype='S32'), 'param_values': np.empty(npar, dtype=float) * np.nan, 'param_errors': np.empty(npar, dtype=float) * np.nan, } for i, p in enumerate(parameters): o['param_names'][i] = p.getName() o['param_values'][i] = p.getTrueValue() perr = abs(p.error() * p.getScale()) if p.isFree() else np.nan o['param_errors'][i] = perr return o def get_function_pars_dict(fn): pars = get_function_pars(fn) pars_dict = {p['name']: p for p in pars} return pars_dict def get_function_pars(fn): """Extract the parameters of a pyLikelihood function object (value, scale, bounds). Parameters ---------- fn : pyLikelihood.Function Returns ------- pars : list """ pars = [] par_names = pyLike.StringVector() fn.getParamNames(par_names) for pname in par_names: par = fn.getParam(pname) bounds = par.getBounds() perr = par.error() if par.isFree() else np.nan pars += [dict(name=pname, value=par.getValue(), error=perr, min=bounds[0], max=bounds[1], free=par.isFree(), scale=par.getScale())] return pars def get_params_dict(like): params = get_params(like) params_dict = {} for p in params: params_dict.setdefault(p['src_name'], []) params_dict[p['src_name']] += [p] return params_dict def get_params(like): params = [] for src_name in like.sourceNames(): src = like[src_name].src spars, ppars = get_source_pars(src) for p in spars: p['src_name'] = src_name params += [p] for p in ppars: p['src_name'] = src_name params += [p] return params def get_priors(like): """Extract priors from a likelihood object.""" npar = len(like.params()) vals = np.ones(npar) errs = np.ones(npar) has_prior = np.array([False] * npar) for i, p in enumerate(like.params()): prior = like[i].log_prior() if prior is None: continue par_names = pyLike.StringVector() prior.getParamNames(par_names) if not 'Mean' in par_names: raise Exception('Failed to find Mean in prior parameters.') if not 'Sigma' in par_names: raise Exception('Failed to find Sigma in prior parameters.') for t in par_names: if t == 'Mean': vals[i] = prior.parameter(t).getValue() if t == 'Sigma': errs[i] = prior.parameter(t).getValue() has_prior[i] = True return vals, errs, has_prior def get_source_pars(src): """Extract the parameters associated with a pyLikelihood Source object. """ fnmap = src.getSrcFuncs() keys = fnmap.keys() if 'Position' in keys: ppars = get_function_pars(src.getSrcFuncs()[str('Position')]) elif 'SpatialDist' in keys: ppars = get_function_pars(src.getSrcFuncs()[str('SpatialDist')]) else: raise Exception('Failed to extract spatial parameters.') fn = src.getSrcFuncs()[str('Spectrum')] spars = get_function_pars(fn) for i, p in enumerate(ppars): ppars[i]['is_norm'] = False for i, p in enumerate(spars): if fn.normPar().getName() == p['name']: spars[i]['is_norm'] = True else: spars[i]['is_norm'] = False return spars, ppars def savefreestate(func): @wraps(func) def wrapper(self, *args, **kwargs): free_params = self.get_free_param_vector() o = func(self, *args, **kwargs) self.set_free_param_vector(free_params) return o return wrapper def savestate(func): @wraps(func) def wrapper(self, *args, **kwargs): saved_state = LikelihoodState(self.like) o = func(self, *args, **kwargs) saved_state.restore() return o return wrapper class FreeParameterState(object): def __init__(self, gta): self._gta = gta self._free = gta.get_free_param_vector() def restore(self): self._gta.set_free_param_vector(self._free) class SourceMapState(object): def __init__(self, like, names): self._srcmaps = {} self._like = like for name in names: self._srcmaps[name] = [] for c in self._like.components: self._srcmaps[name] += [c.logLike.sourceMap(str(name)).model()] def restore(self): for name in self._srcmaps.keys(): for i, c in enumerate(self._like.components): c.logLike.setSourceMapImage(str(name), self._srcmaps[name][i]) class SummedLikelihood(SummedLikelihood.SummedLikelihood): def nFreeParams(self): """Count the number of free parameters in the active model.""" nF = 0 pars = self.params() for par in pars: if par.isFree(): nF += 1 return nF def optimize(self, verbosity=3, tol=None, optimizer=None, optObject=None): self._syncParams() if optimizer is None: optimizer = self.optimizer if tol is None: tol = self.tol if optObject is None: optFactory = pyLike.OptimizerFactory_instance() myOpt = optFactory.create(optimizer, self.logLike) else: myOpt = optObject myOpt.find_min_only(verbosity, tol, self.tolType) self.saveBestFit() def Ts2(self, srcName, reoptimize=False, approx=True, tol=None, MaxIterations=10, verbosity=0): srcName = str(srcName) if verbosity > 0: print("*** Start Ts_dl ***") source_attributes = self.components[0].getExtraSourceAttributes() self.syncSrcParams() freeParams = pyLike.DoubleVector() self.components[0].logLike.getFreeParamValues(freeParams) logLike1 = -self() for comp in self.components: comp.scaleSource(srcName, 1E-10) comp._ts_src = comp.logLike.getSource(srcName) free_flag = comp._ts_src.spectrum().normPar().isFree() if reoptimize: comp._ts_src.spectrum().normPar().setFree(False) self.syncSrcParams() logLike0 = -self() if tol is None: tol = self.tol if reoptimize: if verbosity > 0: print("** Do reoptimize") optFactory = pyLike.OptimizerFactory_instance() myOpt = optFactory.create(self.optimizer, self.composite) Niter = 1 while Niter <= MaxIterations: try: myOpt.find_min(0, tol) break except RuntimeError as e: print(e) if verbosity > 0: print("** Iteration :", Niter) Niter += 1 else: if approx: try: self._renorm() except ZeroDivisionError: pass self.syncSrcParams() logLike0 = max(-self(), logLike0) Ts_value = 2 * (logLike1 - logLike0) for comp in self.components: comp.scaleSource(srcName, 1E10) if reoptimize: comp._ts_src.spectrum().normPar().setFree(free_flag) self.syncSrcParams(srcName) comp.logLike.setFreeParamValues(freeParams) comp.model = SourceModel(comp.logLike) for src in source_attributes: comp.model[src].__dict__.update(source_attributes[src]) self.model = self.components[0].model return Ts_value def _renorm(self, factor=None): if factor is None: freeNpred, totalNpred = self._npredValues() deficit = self.total_nobs() - totalNpred self.renormFactor = 1. + deficit / freeNpred else: self.renormFactor = factor if self.renormFactor < 1: self.renormFactor = 1 srcNames = self.sourceNames() for src in srcNames: if src == self.components[0]._ts_src.getName(): continue parameter = self.normPar(src) if (parameter.isFree() and self.components[0]._isDiffuseOrNearby(src)): oldValue = parameter.getValue() newValue = oldValue * self.renormFactor # ensure new value is within parameter bounds xmin, xmax = parameter.getBounds() if xmin <= newValue and newValue <= xmax: parameter.setValue(newValue) class BinnedAnalysis(BinnedAnalysis.BinnedAnalysis): def __init__(self, binnedData, srcModel=None, optimizer='Drmngb', use_bl2=False, verbosity=0, psfcorr=True, convolve=True, resample=True, resamp_fact=2, minbinsz=0.1, wmap=None): AnalysisBase.__init__(self) if srcModel is None: srcModel, optimizer = self._srcDialog() self.binnedData = binnedData self.srcModel = srcModel self.optimizer = optimizer if use_bl2: self.logLike = pyLike.BinnedLikelihood2(binnedData.countsMap, binnedData.observation, binnedData.srcMaps, True, psfcorr, convolve, resample, resamp_fact, minbinsz) else: if wmap is None or wmap == "none": self.logLike = pyLike.BinnedLikelihood(binnedData.countsMap, binnedData.observation, binnedData.srcMaps, True, psfcorr, convolve, resample, resamp_fact, minbinsz) self._wmap = None else: self._wmap = pyLike.WcsMapLibrary.instance().wcsmap(wmap, "") self._wmap.setInterpolation(False) self._wmap.setExtrapolation(True) self.logLike = pyLike.BinnedLikelihood(binnedData.countsMap, self._wmap, binnedData.observation, binnedData.srcMaps, True, psfcorr, convolve, resample, resamp_fact, minbinsz) self.verbosity = verbosity self.logLike.initOutputStreams() self.logLike.readXml(srcModel, _funcFactory, False, True, False) self.model = SourceModel(self.logLike, srcModel) self.energies = np.array(self.logLike.energies()) self.e_vals = np.sqrt(self.energies[:-1] * self.energies[1:]) self.nobs = self.logLike.countsSpectrum() self.sourceFitPlots = [] self.sourceFitResids = [] def scaleSource(self, srcName, scale): src = self.logLike.getSource(srcName) old_scale = src.spectrum().normPar().getScale() src.spectrum().normPar().setScale(old_scale * scale) self.logLike.syncParams() def Ts2(self, srcName, reoptimize=False, approx=True, tol=None, MaxIterations=10, verbosity=0): """Computes the TS value for a source indicated by "srcName." If "reoptimize=True" is selected this function will reoptimize the model up to "MaxIterations" given the tolerance "tol" (default is the tolerance selected for the overall fit). If "appox=True" is selected (the default) it will renormalize the model (see _renorm). """ saved_state = LikelihoodState(self) if verbosity > 0: print("*** Start Ts_dl ***") source_attributes = self.getExtraSourceAttributes() self.logLike.syncParams() src = self.logLike.getSource(srcName) self._ts_src = src freeParams = pyLike.DoubleVector() self.logLike.getFreeParamValues(freeParams) logLike1 = self.logLike.value() self.scaleSource(srcName, 1E-10) logLike0 = self.logLike.value() if tol is None: tol = self.tol if reoptimize: if verbosity > 0: print("** Do reoptimize") optFactory = pyLike.OptimizerFactory_instance() myOpt = optFactory.create(self.optimizer, self.logLike) Niter = 1 while Niter <= MaxIterations: try: myOpt.find_min(0, tol) break except RuntimeError as e: print(e) if verbosity > 0: print("** Iteration :", Niter) Niter += 1 else: if approx: try: self._renorm() except ZeroDivisionError: pass self.logLike.syncParams() logLike0 = max(self.logLike.value(), logLike0) Ts_value = 2 * (logLike1 - logLike0) self.scaleSource(srcName, 1E10) self.logLike.setFreeParamValues(freeParams) self.model = SourceModel(self.logLike) for src in source_attributes: self.model[src].__dict__.update(source_attributes[src]) saved_state.restore() self.logLike.value() return Ts_value def _isDiffuseOrNearby(self, srcName): if (self[srcName].src.getType() in ['Diffuse','Composite'] or self._ts_src.getType() in ['Diffuse','Composite']): return True elif self._separation(self._ts_src, self[srcName].src) < self.maxdist: return True return False
jefemagril/fermipy
fermipy/gtutils.py
Python
bsd-3-clause
22,978
[ "Gaussian" ]
703d999f037accfdea9dc70f0539cbb7296eb6db8619db21c1d2abc112ea69c6
# Copyright (c) 2016,2017,2018,2019 MetPy Developers. # Distributed under the terms of the BSD 3-Clause License. # SPDX-License-Identifier: BSD-3-Clause """Contains a collection of generally useful calculation tools.""" import functools from inspect import signature from operator import itemgetter import warnings import numpy as np from numpy.core.numeric import normalize_axis_index import numpy.ma as ma from scipy.spatial import cKDTree import xarray as xr from ..cbook import broadcast_indices, result_type from ..interpolate import interpolate_1d, log_interpolate_1d from ..package_tools import Exporter from ..units import check_units, concatenate, units from ..xarray import check_axis, preprocess_xarray exporter = Exporter(globals()) UND = 'UND' UND_ANGLE = -999. DIR_STRS = ( 'N', 'NNE', 'NE', 'ENE', 'E', 'ESE', 'SE', 'SSE', 'S', 'SSW', 'SW', 'WSW', 'W', 'WNW', 'NW', 'NNW', UND ) # note the order matters! MAX_DEGREE_ANGLE = 360 * units.degree BASE_DEGREE_MULTIPLIER = 22.5 * units.degree DIR_DICT = {dir_str: i * BASE_DEGREE_MULTIPLIER for i, dir_str in enumerate(DIR_STRS)} DIR_DICT[UND] = np.nan @exporter.export @preprocess_xarray def resample_nn_1d(a, centers): """Return one-dimensional nearest-neighbor indexes based on user-specified centers. Parameters ---------- a : array-like 1-dimensional array of numeric values from which to extract indexes of nearest-neighbors centers : array-like 1-dimensional array of numeric values representing a subset of values to approximate Returns ------- An array of indexes representing values closest to given array values """ ix = [] for center in centers: index = (np.abs(a - center)).argmin() if index not in ix: ix.append(index) return ix @exporter.export @preprocess_xarray def nearest_intersection_idx(a, b): """Determine the index of the point just before two lines with common x values. Parameters ---------- a : array-like 1-dimensional array of y-values for line 1 b : array-like 1-dimensional array of y-values for line 2 Returns ------- An array of indexes representing the index of the values just before the intersection(s) of the two lines. """ # Difference in the two y-value sets difference = a - b # Determine the point just before the intersection of the lines # Will return multiple points for multiple intersections sign_change_idx, = np.nonzero(np.diff(np.sign(difference))) return sign_change_idx @exporter.export @preprocess_xarray @units.wraps(('=A', '=B'), ('=A', '=B', '=B', None, None)) def find_intersections(x, a, b, direction='all', log_x=False): """Calculate the best estimate of intersection. Calculates the best estimates of the intersection of two y-value data sets that share a common x-value set. Parameters ---------- x : array-like 1-dimensional array of numeric x-values a : array-like 1-dimensional array of y-values for line 1 b : array-like 1-dimensional array of y-values for line 2 direction : string, optional specifies direction of crossing. 'all', 'increasing' (a becoming greater than b), or 'decreasing' (b becoming greater than a). Defaults to 'all'. log_x : bool, optional Use logarithmic interpolation along the `x` axis (i.e. for finding intersections in pressure coordinates). Default is False. Returns ------- A tuple (x, y) of array-like with the x and y coordinates of the intersections of the lines. """ # Change x to logarithmic if log_x=True if log_x is True: x = np.log(x) # Find the index of the points just before the intersection(s) nearest_idx = nearest_intersection_idx(a, b) next_idx = nearest_idx + 1 # Determine the sign of the change sign_change = np.sign(a[next_idx] - b[next_idx]) # x-values around each intersection _, x0 = _next_non_masked_element(x, nearest_idx) _, x1 = _next_non_masked_element(x, next_idx) # y-values around each intersection for the first line _, a0 = _next_non_masked_element(a, nearest_idx) _, a1 = _next_non_masked_element(a, next_idx) # y-values around each intersection for the second line _, b0 = _next_non_masked_element(b, nearest_idx) _, b1 = _next_non_masked_element(b, next_idx) # Calculate the x-intersection. This comes from finding the equations of the two lines, # one through (x0, a0) and (x1, a1) and the other through (x0, b0) and (x1, b1), # finding their intersection, and reducing with a bunch of algebra. delta_y0 = a0 - b0 delta_y1 = a1 - b1 intersect_x = (delta_y1 * x0 - delta_y0 * x1) / (delta_y1 - delta_y0) # Calculate the y-intersection of the lines. Just plug the x above into the equation # for the line through the a points. One could solve for y like x above, but this # causes weirder unit behavior and seems a little less good numerically. intersect_y = ((intersect_x - x0) / (x1 - x0)) * (a1 - a0) + a0 # If there's no intersections, return if len(intersect_x) == 0: return intersect_x, intersect_y # Return x to linear if log_x is True if log_x is True: intersect_x = np.exp(intersect_x) # Check for duplicates duplicate_mask = (np.ediff1d(intersect_x, to_end=1) != 0) # Make a mask based on the direction of sign change desired if direction == 'increasing': mask = sign_change > 0 elif direction == 'decreasing': mask = sign_change < 0 elif direction == 'all': return intersect_x[duplicate_mask], intersect_y[duplicate_mask] else: raise ValueError('Unknown option for direction: {0}'.format(str(direction))) return intersect_x[mask & duplicate_mask], intersect_y[mask & duplicate_mask] def _next_non_masked_element(a, idx): """Return the next non masked element of a masked array. If an array is masked, return the next non-masked element (if the given index is masked). If no other unmasked points are after the given masked point, returns none. Parameters ---------- a : array-like 1-dimensional array of numeric values idx : integer index of requested element Returns ------- Index of next non-masked element and next non-masked element """ try: next_idx = idx + a[idx:].mask.argmin() if ma.is_masked(a[next_idx]): return None, None else: return next_idx, a[next_idx] except (AttributeError, TypeError, IndexError): return idx, a[idx] def _delete_masked_points(*arrs): """Delete masked points from arrays. Takes arrays and removes masked points to help with calculations and plotting. Parameters ---------- arrs : one or more array-like source arrays Returns ------- arrs : one or more array-like arrays with masked elements removed """ if any(hasattr(a, 'mask') for a in arrs): keep = ~functools.reduce(np.logical_or, (np.ma.getmaskarray(a) for a in arrs)) return tuple(ma.asarray(a[keep]) for a in arrs) else: return arrs @exporter.export @preprocess_xarray def reduce_point_density(points, radius, priority=None): r"""Return a mask to reduce the density of points in irregularly-spaced data. This function is used to down-sample a collection of scattered points (e.g. surface data), returning a mask that can be used to select the points from one or more arrays (e.g. arrays of temperature and dew point). The points selected can be controlled by providing an array of ``priority`` values (e.g. rainfall totals to ensure that stations with higher precipitation remain in the mask). The points and radius can be specified with units. If none are provided, meters are assumed. Parameters ---------- points : (N, K) array-like N locations of the points in K dimensional space radius : `pint.Quantity` or float Minimum radius allowed between points. If units are not provided, meters is assumed. priority : (N, K) array-like, optional If given, this should have the same shape as ``points``; these values will be used to control selection priority for points. Returns ------- (N,) array-like of boolean values indicating whether points should be kept. This can be used directly to index numpy arrays to return only the desired points. Examples -------- >>> metpy.calc.reduce_point_density(np.array([1, 2, 3]), 1.) array([ True, False, True]) >>> metpy.calc.reduce_point_density(np.array([1, 2, 3]), 1., ... priority=np.array([0.1, 0.9, 0.3])) array([False, True, False]) """ # Handle input with units. Assume meters if units are not specified if hasattr(radius, 'units'): radius = radius.to('m').m if hasattr(points, 'units'): points = points.to('m').m # Handle 1D input if points.ndim < 2: points = points.reshape(-1, 1) # Make a kd-tree to speed searching of data. tree = cKDTree(points) # Need to use sorted indices rather than sorting the position # so that the keep mask matches *original* order. if priority is not None: # Need to sort the locations in decreasing priority. sorted_indices = np.argsort(priority)[::-1] else: # Take advantage of iterator nature of range here to avoid making big lists sorted_indices = range(len(points)) # Keep all points initially keep = np.ones(len(points), dtype=np.bool) # Loop over all the potential points for ind in sorted_indices: # Only proceed if we haven't already excluded this point if keep[ind]: # Find the neighbors and eliminate them neighbors = tree.query_ball_point(points[ind], radius) keep[neighbors] = False # We just removed ourselves, so undo that keep[ind] = True return keep def _get_bound_pressure_height(pressure, bound, height=None, interpolate=True): """Calculate the bounding pressure and height in a layer. Given pressure, optional heights and a bound, return either the closest pressure/height or interpolated pressure/height. If no heights are provided, a standard atmosphere ([NOAA1976]_) is assumed. Parameters ---------- pressure : `pint.Quantity` Atmospheric pressures bound : `pint.Quantity` Bound to retrieve (in pressure or height) height : `pint.Quantity`, optional Atmospheric heights associated with the pressure levels. Defaults to using heights calculated from ``pressure`` assuming a standard atmosphere. interpolate : boolean, optional Interpolate the bound or return the nearest. Defaults to True. Returns ------- `pint.Quantity` The bound pressure and height. """ # avoid circular import if basic.py ever imports something from tools.py from .basic import height_to_pressure_std, pressure_to_height_std # Make sure pressure is monotonically decreasing sort_inds = np.argsort(pressure)[::-1] pressure = pressure[sort_inds] if height is not None: height = height[sort_inds] # Bound is given in pressure if bound.dimensionality == {'[length]': -1.0, '[mass]': 1.0, '[time]': -2.0}: # If the bound is in the pressure data, we know the pressure bound exactly if bound in pressure: bound_pressure = bound # If we have heights, we know the exact height value, otherwise return standard # atmosphere height for the pressure if height is not None: bound_height = height[pressure == bound_pressure] else: bound_height = pressure_to_height_std(bound_pressure) # If bound is not in the data, return the nearest or interpolated values else: if interpolate: bound_pressure = bound # Use the user specified bound if height is not None: # Interpolate heights from the height data bound_height = log_interpolate_1d(bound_pressure, pressure, height) else: # If not heights given, use the standard atmosphere bound_height = pressure_to_height_std(bound_pressure) else: # No interpolation, find the closest values idx = (np.abs(pressure - bound)).argmin() bound_pressure = pressure[idx] if height is not None: bound_height = height[idx] else: bound_height = pressure_to_height_std(bound_pressure) # Bound is given in height elif bound.dimensionality == {'[length]': 1.0}: # If there is height data, see if we have the bound or need to interpolate/find nearest if height is not None: if bound in height: # Bound is in the height data bound_height = bound bound_pressure = pressure[height == bound] else: # Bound is not in the data if interpolate: bound_height = bound # Need to cast back to the input type since interp (up to at least numpy # 1.13 always returns float64. This can cause upstream users problems, # resulting in something like np.append() to upcast. bound_pressure = (np.interp(np.atleast_1d(bound.m), height.m, pressure.m).astype(result_type(bound)) * pressure.units) else: idx = (np.abs(height - bound)).argmin() bound_pressure = pressure[idx] bound_height = height[idx] else: # Don't have heights, so assume a standard atmosphere bound_height = bound bound_pressure = height_to_pressure_std(bound) # If interpolation is on, this is all we need, if not, we need to go back and # find the pressure closest to this and refigure the bounds if not interpolate: idx = (np.abs(pressure - bound_pressure)).argmin() bound_pressure = pressure[idx] bound_height = pressure_to_height_std(bound_pressure) # Bound has invalid units else: raise ValueError('Bound must be specified in units of length or pressure.') # If the bound is out of the range of the data, we shouldn't extrapolate if not (_greater_or_close(bound_pressure, np.nanmin(pressure.m) * pressure.units) and _less_or_close(bound_pressure, np.nanmax(pressure.m) * pressure.units)): raise ValueError('Specified bound is outside pressure range.') if height is not None and not (_less_or_close(bound_height, np.nanmax(height.m) * height.units) and _greater_or_close(bound_height, np.nanmin(height.m) * height.units)): raise ValueError('Specified bound is outside height range.') return bound_pressure, bound_height @exporter.export @preprocess_xarray @check_units('[length]') def get_layer_heights(height, depth, *args, bottom=None, interpolate=True, with_agl=False): """Return an atmospheric layer from upper air data with the requested bottom and depth. This function will subset an upper air dataset to contain only the specified layer using the height only. Parameters ---------- height : array-like Atmospheric height depth : `pint.Quantity` The thickness of the layer args : array-like Atmospheric variable(s) measured at the given pressures bottom : `pint.Quantity`, optional The bottom of the layer interpolate : bool, optional Interpolate the top and bottom points if they are not in the given data. Defaults to True. with_agl : bool, optional Returns the height as above ground level by subtracting the minimum height in the provided height. Defaults to False. Returns ------- `pint.Quantity, pint.Quantity` The height and data variables of the layer """ # Make sure pressure and datavars are the same length for datavar in args: if len(height) != len(datavar): raise ValueError('Height and data variables must have the same length.') # If we want things in AGL, subtract the minimum height from all height values if with_agl: sfc_height = np.min(height) height = height - sfc_height # If the bottom is not specified, make it the surface if bottom is None: bottom = height[0] # Make heights and arguments base units height = height.to_base_units() bottom = bottom.to_base_units() # Calculate the top of the layer top = bottom + depth ret = [] # returned data variables in layer # Ensure heights are sorted in ascending order sort_inds = np.argsort(height) height = height[sort_inds] # Mask based on top and bottom inds = _greater_or_close(height, bottom) & _less_or_close(height, top) heights_interp = height[inds] # Interpolate heights at bounds if necessary and sort if interpolate: # If we don't have the bottom or top requested, append them if top not in heights_interp: heights_interp = units.Quantity(np.sort(np.append(heights_interp.m, top.m)), height.units) if bottom not in heights_interp: heights_interp = units.Quantity(np.sort(np.append(heights_interp.m, bottom.m)), height.units) ret.append(heights_interp) for datavar in args: # Ensure that things are sorted in ascending order datavar = datavar[sort_inds] if interpolate: # Interpolate for the possibly missing bottom/top values datavar_interp = interpolate_1d(heights_interp, height, datavar) datavar = datavar_interp else: datavar = datavar[inds] ret.append(datavar) return ret @exporter.export @preprocess_xarray @check_units('[pressure]') def get_layer(pressure, *args, height=None, bottom=None, depth=100 * units.hPa, interpolate=True): r"""Return an atmospheric layer from upper air data with the requested bottom and depth. This function will subset an upper air dataset to contain only the specified layer. The bottom of the layer can be specified with a pressure or height above the surface pressure. The bottom defaults to the surface pressure. The depth of the layer can be specified in terms of pressure or height above the bottom of the layer. If the top and bottom of the layer are not in the data, they are interpolated by default. Parameters ---------- pressure : array-like Atmospheric pressure profile args : array-like Atmospheric variable(s) measured at the given pressures height: array-like, optional Atmospheric heights corresponding to the given pressures. Defaults to using heights calculated from ``pressure`` assuming a standard atmosphere [NOAA1976]_. bottom : `pint.Quantity`, optional The bottom of the layer as a pressure or height above the surface pressure. Defaults to the highest pressure or lowest height given. depth : `pint.Quantity`, optional The thickness of the layer as a pressure or height above the bottom of the layer. Defaults to 100 hPa. interpolate : bool, optional Interpolate the top and bottom points if they are not in the given data. Defaults to True. Returns ------- `pint.Quantity, pint.Quantity` The pressure and data variables of the layer """ # If we get the depth kwarg, but it's None, set it to the default as well if depth is None: depth = 100 * units.hPa # Make sure pressure and datavars are the same length for datavar in args: if len(pressure) != len(datavar): raise ValueError('Pressure and data variables must have the same length.') # If the bottom is not specified, make it the surface pressure if bottom is None: bottom = np.nanmax(pressure.m) * pressure.units bottom_pressure, bottom_height = _get_bound_pressure_height(pressure, bottom, height=height, interpolate=interpolate) # Calculate the top if whatever units depth is in if depth.dimensionality == {'[length]': -1.0, '[mass]': 1.0, '[time]': -2.0}: top = bottom_pressure - depth elif depth.dimensionality == {'[length]': 1}: top = bottom_height + depth else: raise ValueError('Depth must be specified in units of length or pressure') top_pressure, _ = _get_bound_pressure_height(pressure, top, height=height, interpolate=interpolate) ret = [] # returned data variables in layer # Ensure pressures are sorted in ascending order sort_inds = np.argsort(pressure) pressure = pressure[sort_inds] # Mask based on top and bottom pressure inds = (_less_or_close(pressure, bottom_pressure) & _greater_or_close(pressure, top_pressure)) p_interp = pressure[inds] # Interpolate pressures at bounds if necessary and sort if interpolate: # If we don't have the bottom or top requested, append them if not np.any(np.isclose(top_pressure, p_interp)): p_interp = np.sort(np.append(p_interp.m, top_pressure.m)) * pressure.units if not np.any(np.isclose(bottom_pressure, p_interp)): p_interp = np.sort(np.append(p_interp.m, bottom_pressure.m)) * pressure.units ret.append(p_interp[::-1]) for datavar in args: # Ensure that things are sorted in ascending order datavar = datavar[sort_inds] if interpolate: # Interpolate for the possibly missing bottom/top values datavar_interp = log_interpolate_1d(p_interp, pressure, datavar) datavar = datavar_interp else: datavar = datavar[inds] ret.append(datavar[::-1]) return ret @exporter.export @preprocess_xarray def find_bounding_indices(arr, values, axis, from_below=True): """Find the indices surrounding the values within arr along axis. Returns a set of above, below, good. Above and below are lists of arrays of indices. These lists are formulated such that they can be used directly to index into a numpy array and get the expected results (no extra slices or ellipsis necessary). `good` is a boolean array indicating the "columns" that actually had values to bound the desired value(s). Parameters ---------- arr : array-like Array to search for values values: array-like One or more values to search for in `arr` axis : int The dimension of `arr` along which to search. from_below : bool, optional Whether to search from "below" (i.e. low indices to high indices). If `False`, the search will instead proceed from high indices to low indices. Defaults to `True`. Returns ------- above : list of arrays List of broadcasted indices to the location above the desired value below : list of arrays List of broadcasted indices to the location below the desired value good : array Boolean array indicating where the search found proper bounds for the desired value """ # The shape of generated indices is the same as the input, but with the axis of interest # replaced by the number of values to search for. indices_shape = list(arr.shape) indices_shape[axis] = len(values) # Storage for the found indices and the mask for good locations indices = np.empty(indices_shape, dtype=np.int) good = np.empty(indices_shape, dtype=np.bool) # Used to put the output in the proper location take = make_take(arr.ndim, axis) # Loop over all of the values and for each, see where the value would be found from a # linear search for level_index, value in enumerate(values): # Look for changes in the value of the test for <= value in consecutive points # Taking abs() because we only care if there is a flip, not which direction. switches = np.abs(np.diff((arr <= value).astype(np.int), axis=axis)) # Good points are those where it's not just 0's along the whole axis good_search = np.any(switches, axis=axis) if from_below: # Look for the first switch; need to add 1 to the index since argmax is giving the # index within the difference array, which is one smaller. index = switches.argmax(axis=axis) + 1 else: # Generate a list of slices to reverse the axis of interest so that searching from # 0 to N is starting at the "top" of the axis. arr_slice = [slice(None)] * arr.ndim arr_slice[axis] = slice(None, None, -1) # Same as above, but we use the slice to come from the end; then adjust those # indices to measure from the front. index = arr.shape[axis] - 1 - switches[tuple(arr_slice)].argmax(axis=axis) # Set all indices where the results are not good to 0 index[~good_search] = 0 # Put the results in the proper slice store_slice = take(level_index) indices[store_slice] = index good[store_slice] = good_search # Create index values for broadcasting arrays above = broadcast_indices(arr, indices, arr.ndim, axis) below = broadcast_indices(arr, indices - 1, arr.ndim, axis) return above, below, good def _greater_or_close(a, value, **kwargs): r"""Compare values for greater or close to boolean masks. Returns a boolean mask for values greater than or equal to a target within a specified absolute or relative tolerance (as in :func:`numpy.isclose`). Parameters ---------- a : array-like Array of values to be compared value : float Comparison value Returns ------- array-like Boolean array where values are greater than or nearly equal to value. """ return (a > value) | np.isclose(a, value, **kwargs) def _less_or_close(a, value, **kwargs): r"""Compare values for less or close to boolean masks. Returns a boolean mask for values less than or equal to a target within a specified absolute or relative tolerance (as in :func:`numpy.isclose`). Parameters ---------- a : array-like Array of values to be compared value : float Comparison value Returns ------- array-like Boolean array where values are less than or nearly equal to value. """ return (a < value) | np.isclose(a, value, **kwargs) def make_take(ndims, slice_dim): """Generate a take function to index in a particular dimension.""" def take(indexer): return tuple(indexer if slice_dim % ndims == i else slice(None) # noqa: S001 for i in range(ndims)) return take @exporter.export @preprocess_xarray def lat_lon_grid_deltas(longitude, latitude, y_dim=-2, x_dim=-1, **kwargs): r"""Calculate the actual delta between grid points that are in latitude/longitude format. Parameters ---------- longitude : array_like array of longitudes defining the grid. If not a `pint.Quantity`, assumed to be in degrees. latitude : array_like array of latitudes defining the grid. If not a `pint.Quantity`, assumed to be in degrees. y_dim : int axis number for the y dimesion, defaults to -2. x_dim: int axis number for the x dimension, defaults to -1. kwargs Other keyword arguments to pass to :class:`~pyproj.Geod` Returns ------- dx, dy: at least two dimensional arrays of signed deltas between grid points in the x and y direction Notes ----- Accepts 1D, 2D, or higher arrays for latitude and longitude Assumes [..., Y, X] dimension order for input and output, unless keyword arguments `y_dim` and `x_dim` are otherwise specified. """ from pyproj import Geod # Inputs must be the same number of dimensions if latitude.ndim != longitude.ndim: raise ValueError('Latitude and longitude must have the same number of dimensions.') # If we were given 1D arrays, make a mesh grid if latitude.ndim < 2: longitude, latitude = np.meshgrid(longitude, latitude) # pyproj requires ndarrays, not Quantities try: longitude = longitude.m_as('degrees') latitude = latitude.m_as('degrees') except AttributeError: longitude = np.asarray(longitude) latitude = np.asarray(latitude) # Determine dimension order for offset slicing take_y = make_take(latitude.ndim, y_dim) take_x = make_take(latitude.ndim, x_dim) geod_args = {'ellps': 'sphere'} if kwargs: geod_args = kwargs g = Geod(**geod_args) forward_az, _, dy = g.inv(longitude[take_y(slice(None, -1))], latitude[take_y(slice(None, -1))], longitude[take_y(slice(1, None))], latitude[take_y(slice(1, None))]) dy[(forward_az < -90.) | (forward_az > 90.)] *= -1 forward_az, _, dx = g.inv(longitude[take_x(slice(None, -1))], latitude[take_x(slice(None, -1))], longitude[take_x(slice(1, None))], latitude[take_x(slice(1, None))]) dx[(forward_az < 0.) | (forward_az > 180.)] *= -1 return dx * units.meter, dy * units.meter @exporter.export @preprocess_xarray def azimuth_range_to_lat_lon(azimuths, ranges, center_lon, center_lat, **kwargs): """Convert azimuth and range locations in a polar coordinate system to lat/lon coordinates. Pole refers to the origin of the coordinate system. Parameters ---------- azimuths : array_like array of azimuths defining the grid. If not a `pint.Quantity`, assumed to be in degrees. ranges : array_like array of range distances from the pole. Typically in meters. center_lat : float The latitude of the pole in decimal degrees center_lon : float The longitude of the pole in decimal degrees kwargs arbitrary keyword arguments to pass to pyproj.Geod (e.g. 'ellps') Returns ------- lon, lat : 2D arrays of longitudes and latitudes corresponding to original locations Notes ----- Credit to Brian Blaylock for the original implementation. """ from pyproj import Geod geod_args = {'ellps': 'sphere'} if kwargs: geod_args = kwargs g = Geod(**geod_args) rng2d, az2d = np.meshgrid(ranges, azimuths) lats = np.full(az2d.shape, center_lat) lons = np.full(az2d.shape, center_lon) lon, lat, _ = g.fwd(lons, lats, az2d, rng2d) return lon, lat @exporter.export def grid_deltas_from_dataarray(f, kind='default'): """Calculate the horizontal deltas between grid points of a DataArray. Calculate the signed delta distance between grid points of a DataArray in the horizontal directions, using actual (real distance) or nominal (in projection space) deltas. Parameters ---------- f : `xarray.DataArray` Parsed DataArray (MetPy's crs coordinate must be available for kind="actual") kind : str Type of grid delta to calculate. "actual" returns true distances as calculated from longitude and latitude via `lat_lon_grid_deltas`. "nominal" returns horizontal differences in the data's coordinate space, either in degrees (for lat/lon CRS) or meters (for y/x CRS). "default" behaves like "actual" for datasets with a lat/lon CRS and like "nominal" for all others. Defaults to "default". Returns ------- dx, dy: arrays of signed deltas between grid points in the x and y directions with dimensions matching those of `f`. See Also -------- lat_lon_grid_deltas """ # Determine behavior if kind == 'default' and f.metpy.crs['grid_mapping_name'] == 'latitude_longitude': kind = 'actual' elif kind == 'default': kind = 'nominal' elif kind not in ('actual', 'nominal'): raise ValueError('"kind" argument must be specified as "default", "actual", or ' '"nominal"') if kind == 'actual': # Get latitude/longitude coordinates and find dim order latitude, longitude = xr.broadcast(*f.metpy.coordinates('latitude', 'longitude')) try: y_dim = latitude.metpy.find_axis_number('y') x_dim = latitude.metpy.find_axis_number('x') except AttributeError: warnings.warn('y and x dimensions unable to be identified. Assuming [..., y, x] ' 'dimension order.') y_dim, x_dim = -2, -1 # Obtain grid deltas as xarray Variables (dx_var, dx_units), (dy_var, dy_units) = ( (xr.Variable(dims=latitude.dims, data=deltas.magnitude), deltas.units) for deltas in lat_lon_grid_deltas(longitude, latitude, y_dim=y_dim, x_dim=x_dim, initstring=f.metpy.cartopy_crs.proj4_init)) else: # Obtain y/x coordinate differences y, x = f.metpy.coordinates('y', 'x') dx_var = x.diff(x.dims[0]).variable dx_units = units(x.attrs.get('units')) dy_var = y.diff(y.dims[0]).variable dy_units = units(y.attrs.get('units')) # Broadcast to input and attach units dx = dx_var.set_dims(f.dims, shape=[dx_var.sizes[dim] if dim in dx_var.dims else 1 for dim in f.dims]).data * dx_units dy = dy_var.set_dims(f.dims, shape=[dy_var.sizes[dim] if dim in dy_var.dims else 1 for dim in f.dims]).data * dy_units return dx, dy def xarray_derivative_wrap(func): """Decorate the derivative functions to make them work nicely with DataArrays. This will automatically determine if the coordinates can be pulled directly from the DataArray, or if a call to lat_lon_grid_deltas is needed. """ @functools.wraps(func) def wrapper(f, **kwargs): if 'x' in kwargs or 'delta' in kwargs: # Use the usual DataArray to pint.Quantity preprocessing wrapper return preprocess_xarray(func)(f, **kwargs) elif isinstance(f, xr.DataArray): # Get axis argument, defaulting to first dimension axis = f.metpy.find_axis_name(kwargs.get('axis', 0)) # Initialize new kwargs with the axis number new_kwargs = {'axis': f.get_axis_num(axis)} if check_axis(f[axis], 'time'): # Time coordinate, need to get time deltas new_kwargs['delta'] = f[axis].metpy.time_deltas elif check_axis(f[axis], 'longitude'): # Longitude coordinate, need to get grid deltas new_kwargs['delta'], _ = grid_deltas_from_dataarray(f) elif check_axis(f[axis], 'latitude'): # Latitude coordinate, need to get grid deltas _, new_kwargs['delta'] = grid_deltas_from_dataarray(f) else: # General coordinate, use as is new_kwargs['x'] = f[axis].metpy.unit_array # Calculate and return result as a DataArray result = func(f.metpy.unit_array, **new_kwargs) return xr.DataArray(result, coords=f.coords, dims=f.dims) else: # Error raise ValueError('Must specify either "x" or "delta" for value positions when "f" ' 'is not a DataArray.') return wrapper @exporter.export @xarray_derivative_wrap def first_derivative(f, **kwargs): """Calculate the first derivative of a grid of values. Works for both regularly-spaced data and grids with varying spacing. Either `x` or `delta` must be specified, or `f` must be given as an `xarray.DataArray` with attached coordinate and projection information. If `f` is an `xarray.DataArray`, and `x` or `delta` are given, `f` will be converted to a `pint.Quantity` and the derivative returned as a `pint.Quantity`, otherwise, if neither `x` nor `delta` are given, the attached coordinate information belonging to `axis` will be used and the derivative will be returned as an `xarray.DataArray`. This uses 3 points to calculate the derivative, using forward or backward at the edges of the grid as appropriate, and centered elsewhere. The irregular spacing is handled explicitly, using the formulation as specified by [Bowen2005]_. Parameters ---------- f : array-like Array of values of which to calculate the derivative axis : int or str, optional The array axis along which to take the derivative. If `f` is ndarray-like, must be an integer. If `f` is a `DataArray`, can be a string (referring to either the coordinate dimension name or the axis type) or integer (referring to axis number), unless using implicit conversion to `pint.Quantity`, in which case it must be an integer. Defaults to 0. For reference, the current standard axis types are 'time', 'vertical', 'y', and 'x'. x : array-like, optional The coordinate values corresponding to the grid points in `f`. delta : array-like, optional Spacing between the grid points in `f`. Should be one item less than the size of `f` along `axis`. Returns ------- array-like The first derivative calculated along the selected axis. See Also -------- second_derivative """ n, axis, delta = _process_deriv_args(f, kwargs) take = make_take(n, axis) # First handle centered case slice0 = take(slice(None, -2)) slice1 = take(slice(1, -1)) slice2 = take(slice(2, None)) delta_slice0 = take(slice(None, -1)) delta_slice1 = take(slice(1, None)) combined_delta = delta[delta_slice0] + delta[delta_slice1] delta_diff = delta[delta_slice1] - delta[delta_slice0] center = (- delta[delta_slice1] / (combined_delta * delta[delta_slice0]) * f[slice0] + delta_diff / (delta[delta_slice0] * delta[delta_slice1]) * f[slice1] + delta[delta_slice0] / (combined_delta * delta[delta_slice1]) * f[slice2]) # Fill in "left" edge with forward difference slice0 = take(slice(None, 1)) slice1 = take(slice(1, 2)) slice2 = take(slice(2, 3)) delta_slice0 = take(slice(None, 1)) delta_slice1 = take(slice(1, 2)) combined_delta = delta[delta_slice0] + delta[delta_slice1] big_delta = combined_delta + delta[delta_slice0] left = (- big_delta / (combined_delta * delta[delta_slice0]) * f[slice0] + combined_delta / (delta[delta_slice0] * delta[delta_slice1]) * f[slice1] - delta[delta_slice0] / (combined_delta * delta[delta_slice1]) * f[slice2]) # Now the "right" edge with backward difference slice0 = take(slice(-3, -2)) slice1 = take(slice(-2, -1)) slice2 = take(slice(-1, None)) delta_slice0 = take(slice(-2, -1)) delta_slice1 = take(slice(-1, None)) combined_delta = delta[delta_slice0] + delta[delta_slice1] big_delta = combined_delta + delta[delta_slice1] right = (delta[delta_slice1] / (combined_delta * delta[delta_slice0]) * f[slice0] - combined_delta / (delta[delta_slice0] * delta[delta_slice1]) * f[slice1] + big_delta / (combined_delta * delta[delta_slice1]) * f[slice2]) return concatenate((left, center, right), axis=axis) @exporter.export @xarray_derivative_wrap def second_derivative(f, **kwargs): """Calculate the second derivative of a grid of values. Works for both regularly-spaced data and grids with varying spacing. Either `x` or `delta` must be specified, or `f` must be given as an `xarray.DataArray` with attached coordinate and projection information. If `f` is an `xarray.DataArray`, and `x` or `delta` are given, `f` will be converted to a `pint.Quantity` and the derivative returned as a `pint.Quantity`, otherwise, if neither `x` nor `delta` are given, the attached coordinate information belonging to `axis` will be used and the derivative will be returned as an `xarray.DataArray`. This uses 3 points to calculate the derivative, using forward or backward at the edges of the grid as appropriate, and centered elsewhere. The irregular spacing is handled explicitly, using the formulation as specified by [Bowen2005]_. Parameters ---------- f : array-like Array of values of which to calculate the derivative axis : int or str, optional The array axis along which to take the derivative. If `f` is ndarray-like, must be an integer. If `f` is a `DataArray`, can be a string (referring to either the coordinate dimension name or the axis type) or integer (referring to axis number), unless using implicit conversion to `pint.Quantity`, in which case it must be an integer. Defaults to 0. For reference, the current standard axis types are 'time', 'vertical', 'y', and 'x'. x : array-like, optional The coordinate values corresponding to the grid points in `f`. delta : array-like, optional Spacing between the grid points in `f`. There should be one item less than the size of `f` along `axis`. Returns ------- array-like The second derivative calculated along the selected axis. See Also -------- first_derivative """ n, axis, delta = _process_deriv_args(f, kwargs) take = make_take(n, axis) # First handle centered case slice0 = take(slice(None, -2)) slice1 = take(slice(1, -1)) slice2 = take(slice(2, None)) delta_slice0 = take(slice(None, -1)) delta_slice1 = take(slice(1, None)) combined_delta = delta[delta_slice0] + delta[delta_slice1] center = 2 * (f[slice0] / (combined_delta * delta[delta_slice0]) - f[slice1] / (delta[delta_slice0] * delta[delta_slice1]) + f[slice2] / (combined_delta * delta[delta_slice1])) # Fill in "left" edge slice0 = take(slice(None, 1)) slice1 = take(slice(1, 2)) slice2 = take(slice(2, 3)) delta_slice0 = take(slice(None, 1)) delta_slice1 = take(slice(1, 2)) combined_delta = delta[delta_slice0] + delta[delta_slice1] left = 2 * (f[slice0] / (combined_delta * delta[delta_slice0]) - f[slice1] / (delta[delta_slice0] * delta[delta_slice1]) + f[slice2] / (combined_delta * delta[delta_slice1])) # Now the "right" edge slice0 = take(slice(-3, -2)) slice1 = take(slice(-2, -1)) slice2 = take(slice(-1, None)) delta_slice0 = take(slice(-2, -1)) delta_slice1 = take(slice(-1, None)) combined_delta = delta[delta_slice0] + delta[delta_slice1] right = 2 * (f[slice0] / (combined_delta * delta[delta_slice0]) - f[slice1] / (delta[delta_slice0] * delta[delta_slice1]) + f[slice2] / (combined_delta * delta[delta_slice1])) return concatenate((left, center, right), axis=axis) @exporter.export def gradient(f, **kwargs): """Calculate the gradient of a grid of values. Works for both regularly-spaced data, and grids with varying spacing. Either `coordinates` or `deltas` must be specified, or `f` must be given as an `xarray.DataArray` with attached coordinate and projection information. If `f` is an `xarray.DataArray`, and `coordinates` or `deltas` are given, `f` will be converted to a `pint.Quantity` and the gradient returned as a tuple of `pint.Quantity`, otherwise, if neither `coordinates` nor `deltas` are given, the attached coordinate information belonging to `axis` will be used and the gradient will be returned as a tuple of `xarray.DataArray`. Parameters ---------- f : array-like Array of values of which to calculate the derivative coordinates : array-like, optional Sequence of arrays containing the coordinate values corresponding to the grid points in `f` in axis order. deltas : array-like, optional Sequence of arrays or scalars that specify the spacing between the grid points in `f` in axis order. There should be one item less than the size of `f` along the applicable axis. axes : sequence, optional Sequence of strings (if `f` is a `xarray.DataArray` and implicit conversion to `pint.Quantity` is not used) or integers that specify the array axes along which to take the derivatives. Defaults to all axes of `f`. If given, and used with `coordinates` or `deltas`, its length must be less than or equal to that of the `coordinates` or `deltas` given. In general, each axis can be an axis number (integer), dimension coordinate name (string) or a standard axis type (string). The current standard axis types are 'time', 'vertical', 'y', and 'x'. Returns ------- tuple of array-like The first derivative calculated along each specified axis of the original array See Also -------- laplacian, first_derivative Notes ----- If this function is used without the `axes` parameter, the length of `coordinates` or `deltas` (as applicable) should match the number of dimensions of `f`. """ pos_kwarg, positions, axes = _process_gradient_args(f, kwargs) return tuple(first_derivative(f, axis=axis, **{pos_kwarg: positions[ind]}) for ind, axis in enumerate(axes)) @exporter.export def laplacian(f, **kwargs): """Calculate the laplacian of a grid of values. Works for both regularly-spaced data, and grids with varying spacing. Either `coordinates` or `deltas` must be specified, or `f` must be given as an `xarray.DataArray` with attached coordinate and projection information. If `f` is an `xarray.DataArray`, and `coordinates` or `deltas` are given, `f` will be converted to a `pint.Quantity` and the gradient returned as a tuple of `pint.Quantity`, otherwise, if neither `coordinates` nor `deltas` are given, the attached coordinate information belonging to `axis` will be used and the gradient will be returned as a tuple of `xarray.DataArray`. Parameters ---------- f : array-like Array of values of which to calculate the derivative coordinates : array-like, optional The coordinate values corresponding to the grid points in `f` deltas : array-like, optional Spacing between the grid points in `f`. There should be one item less than the size of `f` along the applicable axis. axes : sequence, optional Sequence of strings (if `f` is a `xarray.DataArray` and implicit conversion to `pint.Quantity` is not used) or integers that specify the array axes along which to take the derivatives. Defaults to all axes of `f`. If given, and used with `coordinates` or `deltas`, its length must be less than or equal to that of the `coordinates` or `deltas` given. In general, each axis can be an axis number (integer), dimension coordinate name (string) or a standard axis type (string). The current standard axis types are 'time', 'vertical', 'y', and 'x'. Returns ------- array-like The laplacian See Also -------- gradient, second_derivative Notes ----- If this function is used without the `axes` parameter, the length of `coordinates` or `deltas` (as applicable) should match the number of dimensions of `f`. """ pos_kwarg, positions, axes = _process_gradient_args(f, kwargs) derivs = [second_derivative(f, axis=axis, **{pos_kwarg: positions[ind]}) for ind, axis in enumerate(axes)] return sum(derivs) def _broadcast_to_axis(arr, axis, ndim): """Handle reshaping coordinate array to have proper dimensionality. This puts the values along the specified axis. """ if arr.ndim == 1 and arr.ndim < ndim: new_shape = [1] * ndim new_shape[axis] = arr.size arr = arr.reshape(*new_shape) return arr def _process_gradient_args(f, kwargs): """Handle common processing of arguments for gradient and gradient-like functions.""" axes = kwargs.get('axes', range(f.ndim)) def _check_length(positions): if 'axes' in kwargs and len(positions) < len(axes): raise ValueError('Length of "coordinates" or "deltas" cannot be less than that ' 'of "axes".') elif 'axes' not in kwargs and len(positions) != len(axes): raise ValueError('Length of "coordinates" or "deltas" must match the number of ' 'dimensions of "f" when "axes" is not given.') if 'deltas' in kwargs: if 'coordinates' in kwargs or 'x' in kwargs: raise ValueError('Cannot specify both "coordinates" and "deltas".') _check_length(kwargs['deltas']) return 'delta', kwargs['deltas'], axes elif 'coordinates' in kwargs: _check_length(kwargs['coordinates']) return 'x', kwargs['coordinates'], axes elif isinstance(f, xr.DataArray): return 'pass', axes, axes # only the axis argument matters else: raise ValueError('Must specify either "coordinates" or "deltas" for value positions ' 'when "f" is not a DataArray.') def _process_deriv_args(f, kwargs): """Handle common processing of arguments for derivative functions.""" n = f.ndim axis = normalize_axis_index(kwargs.get('axis', 0), n) if f.shape[axis] < 3: raise ValueError('f must have at least 3 point along the desired axis.') if 'delta' in kwargs: if 'x' in kwargs: raise ValueError('Cannot specify both "x" and "delta".') delta = np.atleast_1d(kwargs['delta']) if delta.size == 1: diff_size = list(f.shape) diff_size[axis] -= 1 delta_units = getattr(delta, 'units', None) delta = np.broadcast_to(delta, diff_size, subok=True) if not hasattr(delta, 'units') and delta_units is not None: delta = delta * delta_units else: delta = _broadcast_to_axis(delta, axis, n) elif 'x' in kwargs: x = _broadcast_to_axis(kwargs['x'], axis, n) delta = np.diff(x, axis=axis) else: raise ValueError('Must specify either "x" or "delta" for value positions.') return n, axis, delta @exporter.export @preprocess_xarray def parse_angle(input_dir): """Calculate the meteorological angle from directional text. Works for abbrieviations or whole words (E -> 90 | South -> 180) and also is able to parse 22.5 degreee angles such as ESE/East South East Parameters ---------- input_dir : string or array-like Directional text such as west, [south-west, ne], etc Returns ------- `pint.Quantity` The angle in degrees """ if isinstance(input_dir, str): # abb_dirs = abbrieviated directions abb_dirs = _clean_direction([_abbrieviate_direction(input_dir)]) elif hasattr(input_dir, '__len__'): # handle np.array, pd.Series, list, and array-like input_dir_str = ','.join(_clean_direction(input_dir, preprocess=True)) abb_dir_str = _abbrieviate_direction(input_dir_str) abb_dirs = _clean_direction(abb_dir_str.split(',')) else: # handle unrecognizable scalar return np.nan return itemgetter(*abb_dirs)(DIR_DICT) def _clean_direction(dir_list, preprocess=False): """Handle None if preprocess, else handles anything not in DIR_STRS.""" if preprocess: # primarily to remove None from list so ','.join works return [UND if not isinstance(the_dir, str) else the_dir for the_dir in dir_list] else: # remove extraneous abbrieviated directions return [UND if the_dir not in DIR_STRS else the_dir for the_dir in dir_list] def _abbrieviate_direction(ext_dir_str): """Convert extended (non-abbrievated) directions to abbrieviation.""" return (ext_dir_str .upper() .replace('_', '') .replace('-', '') .replace(' ', '') .replace('NORTH', 'N') .replace('EAST', 'E') .replace('SOUTH', 'S') .replace('WEST', 'W') ) @exporter.export @preprocess_xarray def angle_to_direction(input_angle, full=False, level=3): """Convert the meteorological angle to directional text. Works for angles greater than or equal to 360 (360 -> N | 405 -> NE) and rounds to the nearest angle (355 -> N | 404 -> NNE) Parameters ---------- input_angle : numeric or array-like numeric Angles such as 0, 25, 45, 360, 410, etc full : boolean True returns full text (South), False returns abbrieviated text (S) level : int Level of detail (3 = N/NNE/NE/ENE/E... 2 = N/NE/E/SE... 1 = N/E/S/W) Returns ------- direction The directional text """ try: # strip units temporarily origin_units = input_angle.units input_angle = input_angle.m except AttributeError: # no units associated origin_units = units.degree if not hasattr(input_angle, '__len__') or isinstance(input_angle, str): input_angle = [input_angle] scalar = True else: scalar = False # clean any numeric strings, negatives, and None # does not handle strings with alphabet input_angle = np.array(input_angle).astype(float) with np.errstate(invalid='ignore'): # warns about the np.nan input_angle[np.where(input_angle < 0)] = np.nan input_angle = input_angle * origin_units # normalizer used for angles > 360 degree to normalize between 0 - 360 normalizer = np.array(input_angle.m / MAX_DEGREE_ANGLE.m, dtype=int) norm_angles = abs(input_angle - MAX_DEGREE_ANGLE * normalizer) if level == 3: nskip = 1 elif level == 2: nskip = 2 elif level == 1: nskip = 4 else: err_msg = 'Level of complexity cannot be less than 1 or greater than 3!' raise ValueError(err_msg) angle_dict = {i * BASE_DEGREE_MULTIPLIER.m * nskip: dir_str for i, dir_str in enumerate(DIR_STRS[::nskip])} angle_dict[MAX_DEGREE_ANGLE.m] = 'N' # handle edge case of 360. angle_dict[UND_ANGLE] = UND # round to the nearest angles for dict lookup # 0.001 is subtracted so there's an equal number of dir_str from # np.arange(0, 360, 22.5), or else some dir_str will be preferred # without the 0.001, level=2 would yield: # ['N', 'N', 'NE', 'E', 'E', 'E', 'SE', 'S', 'S', # 'S', 'SW', 'W', 'W', 'W', 'NW', 'N'] # with the -0.001, level=2 would yield: # ['N', 'N', 'NE', 'NE', 'E', 'E', 'SE', 'SE', # 'S', 'S', 'SW', 'SW', 'W', 'W', 'NW', 'NW'] multiplier = np.round( (norm_angles / BASE_DEGREE_MULTIPLIER / nskip) - 0.001).m round_angles = (multiplier * BASE_DEGREE_MULTIPLIER.m * nskip) round_angles[np.where(np.isnan(round_angles))] = UND_ANGLE dir_str_arr = itemgetter(*round_angles)(angle_dict) # for array if full: dir_str_arr = ','.join(dir_str_arr) dir_str_arr = _unabbrieviate_direction(dir_str_arr) if not scalar: dir_str = dir_str_arr.split(',') else: dir_str = dir_str_arr.replace(',', ' ') else: dir_str = dir_str_arr return dir_str def _unabbrieviate_direction(abb_dir_str): """Convert abbrieviated directions to non-abbrieviated direction.""" return (abb_dir_str .upper() .replace(UND, 'Undefined ') .replace('N', 'North ') .replace('E', 'East ') .replace('S', 'South ') .replace('W', 'West ') .replace(' ,', ',') ).strip() def _remove_nans(*variables): """Remove NaNs from arrays that cause issues with calculations. Takes a variable number of arguments Returns masked arrays in the same order as provided """ mask = None for v in variables: if mask is None: mask = np.isnan(v) else: mask |= np.isnan(v) # Mask everyone with that joint mask ret = [] for v in variables: ret.append(v[~mask]) return ret def wrap_output_like(**wrap_kwargs): """Wrap the output from a function to be like some other data object type. Wraps given data to match the units/coordinates/object type of another array. Currently supports: - As input (output from wrapped function): * ``pint.Quantity`` * ``xarray.DataArray`` * any type wrappable by ``pint.Quantity`` - As matched output (final returned value): * ``pint.Quantity`` * ``xarray.DataArray`` wrapping a ``pint.Quantity`` (if matched output is not one of these types, we instead treat the match as if it was a dimenionless Quantity.) This wrapping/conversion follows the following rules: - If match_unit is False, for output of Quantity or DataArary respectively, * ndarray becomes dimensionless Quantity or unitless DataArray with matching coords * Quantity is unchanged or becomes DataArray with input units and output coords * DataArray is converted to Quantity by accessor or is unchanged - If match_unit is True, for output of Quantity or DataArary respectively, with a given unit, * ndarray becomes Quantity or DataArray (with matching coords) with output unit * Quantity is converted to output unit, then returned or converted to DataArray with matching coords * DataArray is has units converted via the accessor, then converted to Quantity via the accessor or returned The output to match can be specified two ways: - Using the `argument` keyword argument, the output is taken from argument of that name from the wrapped function's signature - Using the `other` keyword argument, the output is given directly Parameters ---------- argument : str specify the name of a single argument from the function signature from which to take the other data object other : `numpy.ndarray` or `pint.Quantity` or `xarray.DataArray` specify the other data object directly match_unit : bool if True and other data object has units, convert output to those units (defaults to False) Notes ----- This can be extended in the future to support: - ``units.wraps``-like behavior - Python scalars vs. NumPy scalars (Issue #1209) - dask (and other duck array) compatibility - dimensionality reduction (particularly with xarray) See Also -------- preprocess_xarray """ def decorator(func): @functools.wraps(func) def wrapper(*args, **kwargs): # Determine other if 'other' in wrap_kwargs: other = wrap_kwargs['other'] elif 'argument' in wrap_kwargs: other = signature(func).bind(*args, **kwargs).arguments[ wrap_kwargs['argument']] else: raise ValueError('Must specify keyword "other" or "argument".') # Get result from wrapped function result = func(*args, **kwargs) # Proceed with wrapping rules if wrap_kwargs.get('match_unit', False): return _wrap_output_like_matching_units(result, other) else: return _wrap_output_like_not_matching_units(result, other) return wrapper return decorator def _wrap_output_like_matching_units(result, match): """Convert result to be like match with matching units for output wrapper.""" if isinstance(match, xr.DataArray): output_xarray = True match_units = match.metpy.units elif isinstance(match, units.Quantity): output_xarray = False match_units = match.units else: output_xarray = False match_units = '' if isinstance(result, xr.DataArray): result = result.metpy.convert_units(match_units) return result.metpy.quantify() if output_xarray else result.metpy.unit_array else: result = result.m_as(match_units) if isinstance(result, units.Quantity) else result if output_xarray: return xr.DataArray( units.Quantity(result, match_units), dims=match.dims, coords=match.coords ) else: return units.Quantity(result, match_units) def _wrap_output_like_not_matching_units(result, match): """Convert result to be like match without matching units for output wrapper.""" output_xarray = isinstance(match, xr.DataArray) if isinstance(result, xr.DataArray): return result.metpy.quantify() if output_xarray else result.metpy.unit_array else: if isinstance(result, units.Quantity): result_magnitude = result.magnitude result_units = str(result.units) else: result_magnitude = result result_units = '' if output_xarray: return xr.DataArray( units.Quantity(result_magnitude, result_units), dims=match.dims, coords=match.coords ) else: return units.Quantity(result_magnitude, result_units)
ShawnMurd/MetPy
src/metpy/calc/tools.py
Python
bsd-3-clause
62,642
[ "Brian" ]
8c6798968650a30b0fc09c36a3acd38bd318872ce4ae2c8370e93024e68f514d
from ..utils import * ## # Minions class GVG_023: "Goblin Auto-Barber" play = Buff(FRIENDLY_WEAPON, "GVG_023a") GVG_023a = buff(atk=1) class GVG_025: "One-eyed Cheat" events = Summon(CONTROLLER, PIRATE - SELF).on(Stealth(SELF)) class GVG_027: "Iron Sensei" events = OWN_TURN_END.on(Buff(RANDOM(FRIENDLY_MINIONS + MECH - SELF), "GVG_027e")) GVG_027e = buff(+2, +2) class GVG_028: "Trade Prince Gallywix" events = Play(OPPONENT, SPELL - ID("GVG_028t")).on( Give(CONTROLLER, Copy(Play.CARD)), Give(OPPONENT, "GVG_028t") ) class GVG_028t: play = ManaThisTurn(CONTROLLER, 1) class GVG_088: "Ogre Ninja" events = FORGETFUL ## # Spells class GVG_022: "Tinker's Sharpsword Oil" play = Buff(FRIENDLY_WEAPON, "GVG_022a") combo = Buff(FRIENDLY_WEAPON, "GVG_022a"), Buff(RANDOM_FRIENDLY_CHARACTER, "GVG_022b") GVG_022a = buff(atk=3) # Weapon GVG_022b = buff(atk=3) # Minion class GVG_047: "Sabotage" play = Destroy(RANDOM_ENEMY_MINION) combo = Destroy(ENEMY_WEAPON | RANDOM_ENEMY_MINION) ## # Weapons class GVG_024: "Cogmaster's Wrench" update = Find(FRIENDLY_MINIONS + MECH) & Refresh(SELF, {GameTag.ATK: +2})
beheh/fireplace
fireplace/cards/gvg/rogue.py
Python
agpl-3.0
1,148
[ "TINKER" ]
759fd92b93faf055cc8e7a8c60627200d0704e4c4501baf4673a58b1d89ee501
# Copyright (c) 2017 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use this software except in compliance with the License. # You may obtain a copy of the License at: http://apache.org/licenses/LICENSE-2.0 # Unless required by applicable law or agreed to in writing, software distributed # under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR # CONDITIONS OF ANY KIND, either express or implied. See the License for the # specific language governing permissions and limitations under the License. # # When you publish or redistribute any data created with ScanCode or any ScanCode # derivative work, you must accompany this data with the following acknowledgment: # # Generated with ScanCode and provided on an "AS IS" BASIS, WITHOUT WARRANTIES # OR CONDITIONS OF ANY KIND, either express or implied. No content created from # ScanCode should be considered or used as legal advice. Consult an Attorney # for any legal advice. # ScanCode is a free software code scanning tool from nexB Inc. and others. # Visit https://github.com/nexB/scancode-toolkit/ for support and download. from __future__ import absolute_import, print_function from collections import deque import logging import os import re import nltk import commoncode from textcode import analysis from cluecode import copyrights_hint COPYRIGHT_TRACE = 0 logger = logging.getLogger(__name__) if os.environ.get('SCANCODE_COPYRIGHT_DEBUG'): import sys logging.basicConfig(stream=sys.stdout) logger.setLevel(logging.DEBUG) COPYRIGHT_TRACE = 0 """ Detect and collect copyright statements. The process consists in: - prepare and cleanup text - identify regions of text that may contain copyright (using hints) - tag the text for parts-of-speech (POS) to identify various copyright statements parts such as dates, names ("named entities"), etc. This is done using NLTK POS tagging - feed the tagged text to a parsing grammar describing actual copyright statements - yield copyright statements, years, holder and authors with start and end line from the parse tree, eventually performing some minor cleanups. """ def detect_copyrights(location): """ Yield tuples of: (copyrights list, authors list, years list, holders list, start line, end line) detected in file at location. """ detector = CopyrightDetector() for numbered_lines in candidate_lines(analysis.text_lines(location)): detected = detector.detect(numbered_lines) cp, auth, yr, hold, _start, _end = detected if any([cp, auth, yr, hold]): yield detected def detect(location): """ Return lists of detected copyrights, authors, years and holders in file at location. WARNING: Deprecated legacy entry point. """ copyrights = [] copyrights_extend = copyrights.extend authors = [] authors_extend = authors.extend years = [] years_extend = years.extend holders = [] holders_extend = holders.extend for cp, auth, yr, hold, _start, _end in detect_copyrights(location): copyrights_extend(cp) authors_extend(auth) years_extend(yr) holders_extend(hold) return copyrights, authors, years, holders _YEAR = (r'(' '19[6-9][0-9]' # 1960 to 1999 '|' '20[0-1][0-9]' # 2000 to 2019 ')') _YEAR_SHORT = (r'(' '[6-9][0-9]' # 19-60 to 19-99 '|' '[0-1][0-9]' # 20-00 to 20-19 ')') _YEAR_YEAR = (r'(' # fixme v ....the underscore below is suspicious '19[6-9][0-9][\.,\-]_[6-9][0-9]' # 1960-99 '|' '19[6-9][0-9][\.,\-]+[0-9]' # 1998-9 '|' '20[0-1][0-9][\.,\-]+[0-1][0-9]' # 2001-16 or 2012-04 '|' '200[0-9][\.,\-]+[0-9]' # 2001-4 not 2012 ')') _PUNCT = (r'(' '[' '\W' # not a word (word includes underscore) '\D' # not a digit '\_' # underscore 'i' # oddity '\?' ']' '|' '\&nbsp' # html entity sometimes are double escaped ')*') # repeated 0 or more times _YEAR_PUNCT = _YEAR + _PUNCT _YEAR_YEAR_PUNCT = _YEAR_YEAR + _PUNCT _YEAR_SHORT_PUNCT = _YEAR_SHORT + _PUNCT _YEAR_OR_YEAR_YEAR_WITH_PUNCT = (r'(' + _YEAR_PUNCT + '|' + _YEAR_YEAR_PUNCT + ')') _YEAR_THEN_YEAR_SHORT = (r'(' + _YEAR_OR_YEAR_YEAR_WITH_PUNCT + '(' + _YEAR_SHORT_PUNCT + ')*' + ')') pats = [ _YEAR, _YEAR_SHORT, _YEAR_YEAR, _PUNCT, _YEAR_OR_YEAR_YEAR_WITH_PUNCT ] # FIXME: multi-tokens patterns are likely not behaving as expected # FIXME: patterns could be greatly simplified patterns = [ # TODO: this needs to be simplified: # TODO: in NLTK 3.0 this will fail because of this bug: # https://github.com/nltk/nltk/issues/1025 # JUNK are things to ignore # All Rights Reserved. should be a terminator/delimiter. (r'^([Aa]ll [Rr]ights? [Rr]eserved|ALL RIGHTS? RESERVED|[Aa]ll|ALL)$', 'JUNK'), (r'^([Rr]eserved|RESERVED)[,]?$', 'JUNK'), # found in crypto certificates and LDAP (r'^(O=|OU=|XML)$', 'JUNK'), (r'^(Parser|Dual|Crypto|NO|PART|[Oo]riginall?y?|[Rr]epresentations?\.?)$', 'JUNK'), (r'^(Refer|Apt|Agreement|Usage|Please|Based|Upstream|Files?|Filename:?|' r'Description:?|Holder?s|HOLDER?S|[Pp]rocedures?|You|Everyone)$', 'JUNK'), (r'^(Rights?|Unless|rant|Subject|Acknowledgements?|Special)$', 'JUNK'), (r'^(LICEN[SC]E[EDS]?|Licen[sc]e[eds]?)$', 'TOIGNORE'), (r'^(Derivative|Work|[Ll]icensable|[Ss]ince|[Ll]icen[cs]e[\.d]?|' r'[Ll]icen[cs]ors?|under|COPYING)$', 'JUNK'), (r'^(TCK|Use|[Rr]estrictions?|[Ii]ntrodu`ction)$', 'JUNK'), (r'^([Ii]ncludes?|[Vv]oluntary|[Cc]ontributions?|[Mm]odifications?)$', 'JUNK'), (r'^(CONTRIBUTORS?|OTHERS?|Contributors?\:)$', 'JUNK'), (r'^(Company:|For|File|Last|[Rr]eleased?|[Cc]opyrighting)$', 'JUNK'), (r'^Authori.*$', 'JUNK'), (r'^[Bb]uild$', 'JUNK'), (r'^[Ss]tring$', 'JUNK'), (r'^Implementation-Vendor$', 'JUNK'), (r'^(dnl|rem|REM)$', 'JUNK'), (r'^Implementation-Vendor$', 'JUNK'), (r'^Supports$', 'JUNK'), (r'^\.byte$', 'JUNK'), (r'^[Cc]ontributed?$', 'JUNK'), (r'^[Ff]unctions?$', 'JUNK'), (r'^[Nn]otices?|[Mm]ust$', 'JUNK'), (r'^ISUPPER?|ISLOWER$', 'JUNK'), (r'^AppPublisher$', 'JUNK'), (r'^DISCLAIMS?|SPECIFICALLY|WARRANT(Y|I)E?S?$', 'JUNK'), (r'^(hispagestyle|Generic|Change|Add|Generic|Average|Taken|LAWS\.?|design|Driver)$', 'JUNK'), # Windows XP (r'^(Windows|XP|SP1|SP2|SP3|SP4)$', 'JUNK'), (r'^example\.com$', 'JUNK'), # C/C++ (r'^(template|struct|typedef|type|next|typename|namespace|type_of|begin|end)$', 'JUNK'), # various trailing words that are junk (r'^(?:Copyleft|LegalCopyright|AssemblyCopyright|Distributed|Report|' r'Available|true|false|node|jshint|node\':true|node:true)$', 'JUNK'), (r'^\$?LastChangedDate\$?$', 'YR'), # Bare C char is COPYRIGHT SIGN # (r'^C$', 'COPY'), # exceptions to composed proper nouns, mostly debian copyright-related # FIXME: may be lowercase instead? (r'^(Title:?|Debianized-By:?|Upstream-Maintainer:?|Content-MD5)$', 'JUNK'), (r'^(Upstream-Author:?|Packaged-By:?)$', 'JUNK'), # NOT a copyright symbol (ie. "copyrighted."): treat as NN (r'^[Cc](opyright(s|ed)?|OPYRIGHT(S|ED))\.$', 'NN'), # copyright word or symbol # note the leading @ .... this may be a source of problems (r'.?(@?([Cc]opyright)s?:?|[Cc]opr\.?|[(][Cc][)]|(COPYRIGHT)S?:?)', 'COPY'), # copyright in markup, until we strip markup: apache'>Copyright (r'[A-Za-z0-9]+[\'">]+[Cc]opyright', 'COPY'), # AT&T (the company), needs special handling (r'^AT\&T[\.,]?$', 'COMP'), # company suffix (r'^([Ii]nc[.]?|[I]ncorporated|[Cc]ompany|Limited|LIMITED).?$', 'COMP'), # company suffix (r'^(INC(ORPORATED|[.])?|CORP(ORATION|[.])?|FOUNDATION|GROUP|COMPANY|' r'[(]tm[)]).?$|[Ff]orum.?', 'COMP'), # company suffix (r'^([cC]orp(oration|[.])?|[fF]oundation|[Aa]lliance|Working|[Gg]roup|' r'[Tt]echnolog(y|ies)|[Cc]ommunit(y|ies)|[Mm]icrosystems.?|[Pp]roject|' r'[Tt]eams?|[Tt]ech).?$', 'COMP'), (r"^Limited'?,?$", 'COMP'), # company suffix : LLC, LTD, LLP followed by one extra char (r'^([Ll][Ll][CcPp]|[Ll][Tt][Dd])\.,$', 'COMP'), (r'^([Ll][Ll][CcPp]|[Ll][Tt][Dd])\.?,?$', 'COMP'), (r'^([Ll][Ll][CcPp]|[Ll][Tt][Dd])\.$', 'COMP'), (r'^L\.P\.$', 'COMP'), # company suffix : SA, SAS, AG, AB, AS, CO, labs followed by a dot (r'^(S\.?A\.?S?|Sas|sas|AG|AB|Labs?|[Cc][Oo]\.|Research|INRIA).?$', 'COMP'), # (german) company suffix (r'^[Gg][Mm][Bb][Hh].?$', 'COMP'), # (italian) company suffix (r'^[sS]\.[pP]\.[aA]\.?$', 'COMP'), # (Laboratory) company suffix (r'^(Labs?|Laboratory|Laboratories)\.?,?$', 'COMP'), # (dutch and belgian) company suffix (r'^[Bb]\.?[Vv]\.?|BVBA$', 'COMP'), # university (r'^\(?[Uu]niv(?:[.]|ersit(?:y|e|at?|ad?))\)?\.?$', 'UNI'), # institutes (r'^[Ii]nstitut(s|o|os|e|es|et|a|at|as|u|i)?$', 'NNP'), # "holders" is considered as a common noun (r'^([Hh]olders?|HOLDERS?|[Rr]espective)$', 'NN'), # affiliates (r'^[Aa]ffiliates?\.?$', 'NNP'), # OU as in Org unit, found in some certficates (r'^OU$', 'OU'), # (r'^[Cc]ontributors?\.?', 'NN'), # "authors" or "contributors" is interesting, and so a tag of its own (r'^[Aa]uthors?\.?$', 'AUTH'), (r'^[Aa]uthor\(s\)\.?$', 'AUTH'), (r'^[Cc]ontribut(ors?|ing)\.?$', 'AUTH'), # commiters is interesting, and so a tag of its own (r'[Cc]ommitters\.??', 'COMMIT'), # same for maintainers. (r'^([Mm]aintainers?\.?|[Dd]evelopers?\.?)$', 'MAINT'), # same for developed, etc... (r'^(([Rr]e)?[Cc]oded|[Mm]odified|[Mm]ai?nt[ea]ine(d|r)|[Ww]ritten|[Dd]eveloped)$', 'AUTH2'), # author (r'@author', 'AUTH'), # of (r'^[Oo][Ff]|[Dd][Eei]$', 'OF'), # in (r'^(in|en)$', 'IN'), # by (r'^by$', 'BY'), # following (r'^following$', 'FOLLOW'), # conjunction: and (r'^([Aa]nd|&|[Uu]nd|ET|[Ee]t|at|and/or)$', 'CC'), # conjunction: or. Even though or is not conjunctive .... # (r'^or$', 'CC'), # conjunction: or. Even though or is not conjunctive .... # (r'^,$', 'CC'), # ie. in things like "Copyright (c) 2012 John Li and others" (r'^other?s\.?$', 'OTH'), # in year ranges: dash, or 'to': "1990-1995", "1990/1995" or "1990 to 1995" (r'^([-/]|to)$', 'DASH'), # explicitly ignoring these words: FIXME: WHY? (r'^([Tt]his|THIS|[Pp]ermissions?|PERMISSIONS?|All)$', 'NN'), # Portions copyright .... are worth keeping (r'[Pp]ortions?', 'PORTIONS'), # in dutch/german names, like Marco van Basten, or Klemens von Metternich # and Spanish/French Da Siva and De Gaulle (r'^(([Vv][ao]n)|[Dd][aeu])$', 'VAN'), # year or year ranges # plain year with various leading and trailing punct # dual or multi years 1994/1995. or 1994-1995 # 1987,88,89,90,91,92,93,94,95,96,98,99,2000,2001,2002,2003,2004,2006 # multi years # dual years with second part abbreviated # 1994/95. or 2002-04 or 1991-9 (r'^' + _PUNCT + _YEAR_OR_YEAR_YEAR_WITH_PUNCT + '+' + '(' + _YEAR_OR_YEAR_YEAR_WITH_PUNCT + '|' + _YEAR_THEN_YEAR_SHORT + ')*' + '$', 'YR'), (r'^' + _PUNCT + _YEAR_OR_YEAR_YEAR_WITH_PUNCT + '+' + '(' + _YEAR_OR_YEAR_YEAR_WITH_PUNCT + '|' + _YEAR_THEN_YEAR_SHORT + '|' + _YEAR_SHORT_PUNCT + ')*' + '$', 'YR'), # cardinal numbers (r'^-?[0-9]+(.[0-9]+)?.?$', 'CD'), # exceptions to proper nouns (r'^(The|Commons|AUTHOR|software)$', 'NN'), # composed proper nouns, ie. Jean-Claude or ST-Microelectronics # FIXME: what about a variant with spaces around the dash? (r'^[A-Z][a-zA-Z]*\s?[\-]\s?[A-Z]?[a-zA-Z]+.?$', 'NNP'), # Countries abbreviations (r'^U\.S\.A\.?$', 'NNP'), # Places (r'^\(?(?:Cambridge|Stockholm|Davis|Sweden|California)\)?,?.?$', 'NNP'), # proper nouns with digits (r'^[A-Z][a-z0-9]+.?$', 'NNP'), # saxon genitive, ie. Philippe's (r"^[A-Z][a-z]+[']s$", 'NNP'), # Uppercase dotted name, ie. P. (r"^([A-Z][.]?|[A-Z]+[\.])$", 'PN'), # proper noun with some separator and trailing comma (r"^[A-Z]+[.][A-Z][a-z]+[,]?$", 'NNP'), # proper noun with apostrophe ': D'Orleans, D'Arcy, T'so, Ts'o (r"^[A-Z][[a-z]?['][A-Z]?[a-z]+[,.]?$", 'NNP'), # proper noun with apostrophe ': d'Itri (r"^[a-z]['][A-Z]?[a-z]+[,\.]?$", 'NNP'), # all CAPS word, at least 1 char long such as MIT, including an optional trailing comma or dot (r'^[A-Z0-9]+[,]?$', 'CAPS'), # all caps word 3 chars and more, enclosed in parens (r'^\([A-Z0-9]{2,}\)$', 'CAPS'), # proper noun:first CAP, including optional trailing comma (r'^[A-Z][a-zA-Z0-9]+[,]?$', 'NNP'), # email (r'[a-zA-Z0-9\+_\-\.\%]+(@|at)[a-zA-Z0-9][a-zA-Z0-9\+_\-\.\%]*\.[a-zA-Z]{2,5}?', 'EMAIL'), # email eventually in parens or brackets. The closing > or ) is optional (r'[\<\(][a-zA-Z0-9\+_\-\.\%]+(@|at)[a-zA-Z0-9][a-zA-Z0-9\+_\-\.\%]*\.[a-zA-Z]{2,5}?[\>\)]?', 'EMAIL'), # URLS such as ibm.com # TODO: add more extensions? (r'\(+[a-z0-9A-Z\-\.\_]+\.(com|net|info|org|us|mil|io|edu|co\.[a-z][a-z]|eu|biz)[\.\)]+$', 'URL'), (r'<?a?.(href)?.\(?[a-z0-9A-Z\-\.\_]+\.(com|net|info|org|us|mil|io|edu|co\.[a-z][a-z]|eu|biz)[\.\)]?$', 'URL'), # derived from regex in cluecode.finder (r'<?a?.(href)?.(' r'(?:http|ftp|sftp)s?://[^\s<>\[\]"]+' r'|(?:www|ftp)\.[^\s<>\[\]"]+' r')\.?', 'URL'), (r'^https?://[a-zA-Z0-9_\-]+(\.([a-zA-Z0-9_\-])+)+.?$', 'URL'), # K.K. (a company suffix), needs special handling (r'^K.K.,?$', 'NAME'), # comma as a conjunction (r'^,$', 'CC'), # .\" is not a noun (r'^\.\\\?"?$', 'JUNK'), # Mixed cap nouns (rare) LeGrande (r'^[A-Z][a-z]+[A-Z][a-z]+[\.\,]?$', 'MIXEDCAP'), # nouns (default) (r'.+', 'NN'), ] # Comments in the Grammar are lines that start with # grammar = """ YR-RANGE: {<YR>+ <CC>+ <YR>} #20 YR-RANGE: {<YR> <DASH>* <YR|CD>+} #30 YR-RANGE: {<CD>? <YR>+} #40 YR-RANGE: {<YR>+ } #50 YR-AND: {<CC>? <YR>+ <CC>+ <YR>} #60 YR-RANGE: {<YR-AND>+} #70 NAME: {<NN|NNP> <CC> <URL>} #80 NAME: {<NNP> <VAN|OF> <NN*> <NNP>} #90 NAME: {<NNP> <PN> <VAN> <NNP>} #100 # by the netfilter coreteam <coreteam@netfilter.org> NAME: {<BY> <NN>+ <EMAIL>} #110 # Kaleb S. KEITHLEY NAME: {<NNP> <PN> <CAPS>} #120 DASHCAPS: {<DASH> <CAPS>} # INRIA - CIRAD - INRA COMPANY: { <COMP> <DASHCAPS>+} #1280 # the Regents of the University of California COMPANY: {<BY>? <NN> <NNP> <OF> <NN> <UNI> <OF> <COMPANY|NAME|NAME2|NAME3><COMP>?} #130 # Corporation/COMP for/NN National/NNP Research/COMP Initiatives/NNP COMPANY: {<COMP> <NN> <NNP> <COMP> <NNP>} #140 # Sun Microsystems, Inc. Mountain View COMPANY: {<COMP> <COMP> <NNP><NNP>} #144 # AT&T Laboratories, Cambridge COMPANY: {<COMP> <COMP> <NNP>} #145 # rare "Software in the public interest, Inc." COMPANY: {<COMP> <CD> <COMP>} #170 COMPANY: {<NNP> <IN><NN> <NNP> <NNP>+<COMP>?} #180 COMPANY: {<NNP> <CC> <NNP> <COMP>} #200 COMPANY: {<NNP|CAPS> <NNP|CAPS>? <NNP|CAPS>? <NNP|CAPS>? <NNP|CAPS>? <NNP|CAPS>? <COMP> <COMP>?} #210 COMPANY: {<UNI|NNP> <VAN|OF> <NNP>+ <UNI>?} #220 COMPANY: {<NNP>+ <UNI>} #230 COMPANY: {<UNI> <OF> <NN|NNP>} #240 COMPANY: {<COMPANY> <CC> <COMPANY>} #250 COMPANY: {<COMP>+} #260 COMPANY: {<COMPANY> <CC> <NNP>+} #270 # AIRVENT SAM s.p.a - RIMINI(ITALY) COMPANY: {<COMPANY> <DASH> <NNP|NN> <EMAIL>?} #290 # Typical names #John Robert LoVerso NAME: {<NNP> <NNP> <MIXEDCAP>} #340 NAME: {<NNP|PN>+ <NNP>+} #350 NAME: {<NNP> <PN>? <NNP>+} #360 NAME: {<NNP> <NNP>} #370 NAME: {<NNP> <NN> <EMAIL>} #390 NAME: {<NNP> <PN|VAN>? <PN|VAN>? <NNP>} #400 NAME: {<NNP> <NN> <NNP>} #410 NAME: {<NNP> <COMMIT>} #420 # the LGPL VGABios developers Team NAME: {<NN>? <NNP> <MAINT> <COMP>} #440 # Debian Qt/KDE Maintainers NAME: {<NNP> <NN>? <MAINT>} #460 NAME: {<NN> <NNP> <ANDCO>} #470 NAME: {<NN>? <NNP> <CC> <NAME>} #480 NAME: {<NN>? <NNP> <OF> <NN>? <NNP> <NNP>?} #490 NAME: {<NAME> <CC> <NAME>} #500 COMPANY: {<NNP> <IN> <NN>? <COMPANY>} #510 NAME2: {<NAME> <EMAIL>} #530 NAME3: {<YR-RANGE> <NAME2|COMPANY>+} #540 NAME: {<NAME|NAME2>+ <OF> <NNP> <OF> <NN>? <COMPANY>} #550 NAME: {<NAME|NAME2>+ <CC|OF>? <NAME|NAME2|COMPANY>} #560 NAME3: {<YR-RANGE> <NAME>+} #570 NAME: {<NNP> <OF> <NNP>} #580 NAME: {<NAME> <NNP>} #590 NAME: {<NN|NNP|CAPS>+ <CC> <OTH>} #600 NAME: {<NNP> <CAPS>} #610 NAME: {<CAPS> <DASH>? <NNP|NAME>} #620 NAME: {<NNP> <CD> <NNP>} #630 NAME: {<COMP> <NAME>+} #640 NAME: {<NNP|CAPS>+ <AUTH>} #660 NAME: {<VAN|OF> <NAME>} #680 NAME: {<NAME3> <COMP>} #690 # more names NAME: {<NNP> <NAME>} #710 NAME: {<CC>? <IN> <NAME|NNP>} #720 NAME: {<NAME><UNI>} #730 NAME: { <NAME> <IN> <NNP> <CC|IN>+ <NNP>} #740 # Companies COMPANY: {<NAME|NAME2|NAME3|NNP>+ <OF> <NN>? <COMPANY|COMP>} #770 COMPANY: {<NNP> <COMP> <COMP>} #780 COMPANY: {<NN>? <COMPANY|NAME|NAME2> <CC> <COMPANY|NAME|NAME2>} #790 COMPANY: {<COMP|NNP> <NN> <COMPANY> <NNP>+} #800 COMPANY: {<COMPANY> <CC> <AUTH>} #810 COMPANY: {<NN> <COMP>+} #820 COMPANY: {<URL>} #830 COMPANY: {<COMPANY> <COMP>} #840 # The Regents of the University of California NAME: {<NN> <NNP> <OF> <NN> <COMPANY>} #870 # Trailing Authors COMPANY: {<NAME|NAME2|NAME3|NNP>+ <AUTH>} #900 # Jeffrey C. Foo COMPANY: {<PN> <COMPANY>} #910 # "And" some name ANDCO: {<CC> <NNP> <NNP>+} #930 ANDCO: {<CC> <OTH>} #940 ANDCO: {<CC> <NN> <NAME>+} #950 ANDCO: {<CC> <COMPANY|NAME|NAME2|NAME3>+} #960 COMPANY: {<COMPANY|NAME|NAME2|NAME3> <ANDCO>+} #970 NAME: {<NNP> <ANDCO>+} #980 NAME: {<BY> <NN> <AUTH>} #1000 # NetGroup, Politecnico di Torino (Italy) COMPANY: {<NNP> <COMPANY> <NN>} #1030 # Arizona Board of Regents (University of Arizona) NAME: {<COMPANY> <OF> <NN|NNP>} #1060 # The Regents of the University of California NAME: {<NAME> <COMPANY>} #1090 # John Doe and Myriam Doe NAME: {<NAME|NNP> <CC> <NNP|NAME>} #1120 # International Business Machines Corporation and others COMPANY: {<COMPANY> <CC> <OTH>} #1150 COMPANY: {<NAME3> <CC> <OTH>} #1160 # Nara Institute of Science and Technology. COMPANY: {<NNP> <COMPANY> <CC> <COMP>} #1190 # Commonwealth Scientific and Industrial Research Organisation (CSIRO) COMPANY: {<NNP> <COMPANY> <NAME>} #1220 # Bio++ Development Team COMPANY: {<NN> <COMPANY>} #1250 # Institut en recherche .... COMPANY: {<NNP> <IN> <NN>+ <COMPANY>} #1310 # OU OISTE Foundation COMPANY: {<OU> <COMPANY>} #1340 # NETLABS, Temple University COMPANY: {<CAPS> <COMPANY>} #1370 # XZY emails COMPANY: {<COMPANY> <EMAIL>+} #1400 # "And" some name ANDCO: {<CC>+ <NN> <NNP>+<UNI|COMP>?} #1430 ANDCO: {<CC>+ <NNP> <NNP>+<UNI|COMP>?} #1440 ANDCO: {<CC>+ <COMPANY|NAME|NAME2|NAME3>+<UNI|COMP>?} #1450 COMPANY: {<COMPANY|NAME|NAME2|NAME3> <ANDCO>+} #1460 COMPANY: {<COMPANY><COMPANY>+} #1480 # Oracle and/or its affiliates. NAME: {<NNP> <ANDCO>} #1410 # Various forms of copyright statements COPYRIGHT: {<COPY> <NAME> <COPY> <YR-RANGE>} #1510 COPYRIGHT: {<COPY> <COPY>? <BY>? <COMPANY|NAME*|YR-RANGE>* <BY>? <EMAIL>+} #1530 COPYRIGHT: {<COPY> <COPY>? <NAME|NAME2|NAME3> <CAPS> <YR-RANGE>} #1550 #Copyright . 2008 Mycom Pany, inc. COPYRIGHT: {<COPY> <NN> <NAME3>} #1560 COPYRIGHT: {<COPY> <COPY>? <NAME|NAME2|NAME3>+ <YR-RANGE>*} #1570 COPYRIGHT: {<COPY> <COPY>? <CAPS|NNP>+ <CC> <NN> <COPY> <YR-RANGE>?} #1590 COPYRIGHT: {<COPY> <COPY>? <BY>? <COMPANY|NAME*>+ <YR-RANGE>*} #1610 COPYRIGHT: {<NNP>? <COPY> <COPY>? (<YR-RANGE>+ <BY>? <NN>? <COMPANY|NAME|NAME2>+ <EMAIL>?)+} #1630 COPYRIGHT: {<COPY> <COPY>? <NN> <NAME> <YR-RANGE>} #1650 COPYRIGHT: {<COPY>+ <BY> <NAME|NAME2|NAME3>+} #1670 COPYRIGHT: {<COPY> <COPY> <COMP>+} #1690 COPYRIGHT: {<COPY> <COPY> <NN>+ <COMPANY|NAME|NAME2>+} #1710 COPYRIGHT: {<COPY> <COPY>? <NN> <NN>? <COMP> <YR-RANGE>?} #1730 COPYRIGHT: {<COPY> <COPY>? <NN> <NN>? <COMP> <YR-RANGE>?} #1750 COPYRIGHT: {<COPY> <NN> <NN>? <COMPANY> <YR-RANGE>?} #1760 COPYRIGHT: {<COPY> <COPY>? <YR-RANGE|NNP> <CAPS|BY>? <NNP|YR-RANGE|NAME>+} #1780 COPYRIGHT: {<COPY> <COPY> <NNP>+} #1800 # Copyright (c) 2016 Project Admins foobar COPYRIGHT2: {<COPY> <COPY> <YR-RANGE>+ <COMP> <NNP> <NN>} #1830 # Copyright (c) 1995, 1996 The President and Fellows of Harvard University COPYRIGHT2: {<COPY> <COPY> <YR-RANGE> <NN> <NNP> <ANDCO>} #1860 COPYRIGHT2: {<COPY> <COPY> <YR-RANGE> <NN> <AUTH>} #1880 # Copyright 1999, 2000 - D.T.Shield. # Copyright (c) 1999, 2000 - D.T.Shield. COPYRIGHT2: {<COPY> <COPY>? <YR-RANGE> <DASH> <NN>} #1920 # Copyright 2007-2010 the original author or authors. # Copyright (c) 2007-2010 the original author or authors. COPYRIGHT2: {<COPY>+ <YR-RANGE> <NN> <JUNK> <AUTH> <NN> <AUTH>} #1960 #(c) 2017 The Chromium Authors COPYRIGHT2: {<COPY> <COPY>? <YR-RANGE> <NN> <NNP> <NN>} #1990 # Copyright (C) Research In Motion Limited 2010. All rights reserved. COPYRIGHT2: {<COPYRIGHT> <COMPANY> <YR-RANGE>} #2020 # Copyright (c) 1999 Computer Systems and Communication Lab, # Institute of Information Science, Academia Sinica. COPYRIGHT2: {<COPYRIGHT> <COMPANY> <COMPANY>} #2060 COPYRIGHT2: {<COPY> <COPY> <YR-RANGE> <BY> <NN> <NN> <NAME>} #2080 COPYRIGHT2: {<COPY> <YR-RANGE> <BY> <NN> <NN> <NAME>} #2090 COPYRIGHT2: {<COPY> <COPY><NN>? <COPY> <YR-RANGE> <BY> <NN>} #2110 COPYRIGHT2: {<COPY> <NN>? <COPY> <YR-RANGE> <BY> <NN>} #2120 COPYRIGHT2: {<COPY> <COPY>? <NN> <YR-RANGE> <BY> <NAME>} #2140 COPYRIGHT2: {<COPY> <COPY>? <YR-RANGE> <DASH> <BY>? <NAME2|NAME>} #2160 COPYRIGHT2: {<COPY> <COPY>? <YR-RANGE> <NNP> <NAME>} #2180 # Copyright (c) 2012-2016, Project contributors COPYRIGHT2: {<COPY> <COPY>? <YR-RANGE> <COMP> <AUTH>} #2210 COPYRIGHT2: {<COPY>+ <YR-RANGE> <COMP>} #2230 COPYRIGHT2: {<COPY> <COPY> <YR-RANGE>+ <CAPS>? <MIXEDCAP>} #2240 COPYRIGHT2: {<NAME> <COPY> <YR-RANGE>} #2260 COPYRIGHT2: {<COPY> <COPY>? <NN|CAPS>? <YR-RANGE>+ <NN|CAPS>*} #2280 COPYRIGHT2: {<COPY> <COPY>? <NN|CAPS>? <YR-RANGE>+ <NN|CAPS>* <COMPANY>} #2300 COPYRIGHT2: {<COPY> <COPY>? <NN|CAPS>? <YR-RANGE>+ <NN|CAPS>* <DASH> <COMPANY>} #2320 COPYRIGHT2: {<NNP|NAME|COMPANY> <COPYRIGHT2>} #2340 COPYRIGHT: {<COPYRIGHT> <NN> <COMPANY>} #2360 COPYRIGHT: {<COPY> <COPY>? <BY>? <NN> <COMPANY>} #2380 COPYRIGHT: {<COMPANY> <NN> <NAME> <COPYRIGHT2>} #2400 COPYRIGHT: {<COPYRIGHT2> <COMP> <COMPANY>} #2410 COPYRIGHT: {<COMPANY> <NN> <COPYRIGHT2>} #2420 COPYRIGHT: {<COPYRIGHT2> <NNP> <CC> <COMPANY>} #2430 COPYRIGHT: {<COPYRIGHT2> <NAME|NAME2|NAME3>+} #2860 # copyrights in the style of Scilab/INRIA COPYRIGHT: {<NNP> <NN> <COPY> <NNP>} #2460 COPYRIGHT: {<NNP> <COPY> <NNP>} #2470 # Copyright or Copr. 2006 INRIA - CIRAD - INRA COPYRIGHT: {<COPY> <NN> <COPY> <YR-RANGE>+ <COMPANY>+} #2500 #Copyright or Copr. CNRS COPYRIGHT: {<COPY> <NN> <COPY> <CAPS>} #2530 #Copyright or Copr. CNRS COPYRIGHT: {<COPY> <NN> <COPY> <COPYRIGHT>} #2560 COPYRIGHT: {<COPYRIGHT|COPYRIGHT2> <COMPANY>+ <NAME>*} #2580 # at iClick, Inc., software copyright (c) 1999 COPYRIGHT: {<ANDCO> <NN> <COPYRIGHT2>} #2590 # portions copyright COPYRIGHT: {<PORTIONS> <COPYRIGHT|COPYRIGHT2>} #2610 #copyright notice (3dfx Interactive, Inc. 1999), (notice is JUNK) COPYRIGHT: {<COPY> <JUNK> <COMPANY> <YR-RANGE>} #2620 # Authors AUTH: {<AUTH2>+ <BY>} #2640 AUTHOR: {<AUTH>+ <NN>? <COMPANY|NAME|YR-RANGE>* <BY>? <EMAIL>+} #2650 AUTHOR: {<AUTH>+ <NN>? <COMPANY|NAME|NAME2>+ <YR-RANGE>*} #2660 AUTHOR: {<AUTH>+ <YR-RANGE>+ <BY>? <COMPANY|NAME|NAME2>+} #2670 AUTHOR: {<AUTH>+ <YR-RANGE|NNP> <NNP|YR-RANGE>+} #2680 AUTHOR: {<AUTH>+ <NN|CAPS>? <YR-RANGE>+} #2690 AUTHOR: {<COMPANY|NAME|NAME2>+ <AUTH>+ <YR-RANGE>+} #2700 AUTHOR: {<YR-RANGE> <NAME|NAME2>+} #2710 AUTHOR: {<NAME2>+} #2720 AUTHOR: {<AUTHOR> <CC> <NN>? <AUTH>} #2730 AUTHOR: {<BY> <EMAIL>} #2740 ANDAUTH: {<CC> <AUTH|NAME>+} #2750 AUTHOR: {<AUTHOR> <ANDAUTH>+} #2760 # Compounded statements usings authors # found in some rare cases with a long list of authors. COPYRIGHT: {<COPY> <BY> <AUTHOR>+ <YR-RANGE>*} #2800 COPYRIGHT: {<AUTHOR> <COPYRIGHT2>} #2820 COPYRIGHT: {<AUTHOR> <YR-RANGE>} #2830 COPYRIGHT: {<COPYRIGHT> <NAME3>} #2850 """ def strip_numbers(s): """ Return a string removing words made only of numbers. If there is an exception or s is not a string, return s as-is. """ if s: s = u' '.join([x for x in s.split(' ') if not x.isdigit()]) return s def strip_some_punct(s): """ Return a string stripped from some leading and trailing punctuations. """ if s: s = s.strip(''','"}{-_:;&''') s = s.lstrip('.>)]') s = s.rstrip('<([') return s def fix_trailing_space_dot(s): """ Return a string stripped from some leading and trailing punctuations. """ if s and s.endswith(' .'): s = s[:-2] + '.' return s def strip_unbalanced_parens(s, parens='()'): """ Return a string where unbalanced parenthesis are replaced with a space. `paren` is a pair of characters to balance such as (), <>, [] , {}. For instance: >>> strip_unbalanced_parens('This is a super string', '()') 'This is a super string' >>> strip_unbalanced_parens('This is a super(c) string', '()') 'This is a super(c) string' >>> strip_unbalanced_parens('This ((is a super(c) string))', '()') 'This ((is a super(c) string))' >>> strip_unbalanced_parens('This )(is a super(c) string)(', '()') 'This (is a super(c) string) ' >>> strip_unbalanced_parens(u'This )(is a super(c) string)(', '()') u'This (is a super(c) string) ' >>> strip_unbalanced_parens('This )(is a super(c) string)(', '()') 'This (is a super(c) string) ' >>> strip_unbalanced_parens('This )((is a super(c) string)((', '()') 'This (is a super(c) string) ' >>> strip_unbalanced_parens('This ) is', '()') 'This is' >>> strip_unbalanced_parens('This ( is', '()') 'This is' >>> strip_unbalanced_parens('This )) is', '()') 'This is' >>> strip_unbalanced_parens('This (( is', '()') 'This is' >>> strip_unbalanced_parens('(', '()') ' ' >>> strip_unbalanced_parens(')', '()') ' ' """ start, end = parens if not start in s and not end in s: return s unbalanced = [] unbalanced_append = unbalanced.append stack = [] stack_append = stack.append stack_pop = stack.pop for i, c in enumerate(s): if c == start: stack_append((i, c,)) elif c == end: try: stack_pop() except IndexError: unbalanced_append((i, c,)) unbalanced.extend(stack) pos_to_del = set([i for i, c in unbalanced]) cleaned = [c if i not in pos_to_del else ' ' for i, c in enumerate(s)] return type(s)('').join(cleaned) def strip_all_unbalanced_parens(s): """ Return a string where unbalanced parenthesis are replaced with a space. Strips (), <>, [] and {}. """ c = strip_unbalanced_parens(s, '()') c = strip_unbalanced_parens(c, '<>') c = strip_unbalanced_parens(c, '[]') c = strip_unbalanced_parens(c, '{}') return c def refine_copyright(c): """ Refine a detected copyright string. FIXME: the grammar should not allow this to happen. """ c = strip_some_punct(c) c = fix_trailing_space_dot(c) c = strip_all_unbalanced_parens(c) # FIXME: this should be in the grammar, but is hard to get there right # these are often artifacts of markup c = c.replace('Copyright Copyright', 'Copyright') c = c.replace('Copyright copyright', 'Copyright') c = c.replace('copyright copyright', 'Copyright') c = c.replace('copyright Copyright', 'Copyright') c = c.replace('copyright\'Copyright', 'Copyright') c = c.replace('copyright"Copyright', 'Copyright') c = c.replace('copyright\' Copyright', 'Copyright') c = c.replace('copyright" Copyright', 'Copyright') s = c.split() # fix traliing garbage, captured by the grammar last_word = s[-1] if last_word.lower() in ('parts', 'any', '0', '1'): s = s[:-1] # this is hard to catch otherwise, unless we split the author # vs copyright grammar in two. Note that AUTHOR and Authors should be kept last_word = s[-1] if last_word.lower() == 'author' and last_word not in ('AUTHOR', 'AUTHORS', 'Authors',) : s = s[:-1] s = u' '.join(s) return s.strip() def refine_author(c): """ Refine a detected author. FIXME: the grammar should not allow this to happen. """ c = strip_some_punct(c) c = strip_numbers(c) c = strip_all_unbalanced_parens(c) c = c.split() # FIXME: also split comma separated lists: gthomas, sorin@netappi.com, andrew.lunn@ascom.che.g. # strip prefixes. # NOTE: prefixes are hard to catch otherwise, unless we split the # author vs copyright grammar in two prefixes = set([ 'author', 'authors', 'author(s)', 'authored', 'contributor', 'contributors', 'contributor(s)', 'by', 'developed', 'written', 'created', ]) while c and c[0].lower() in prefixes: c = c[1:] c = u' '.join(c) return c.strip() def refine_date(c): """ Refine a detected date or date range. FIXME: the grammar should not allow this to happen. """ return strip_some_punct(c) def is_junk(c): """ Return True if string `c` is a junk copyright that cannot be resolved otherwise by parsing with a grammar. It would be best not to have to resort to this, but this is practical. """ junk = set([ 'copyrighted by their authors', 'copyrighted by their authors.', 'copyright holder or other authorized', 'copyright holder who authorizes', 'copyright holder has authorized', 'copyright holder nor the author', 'copyright holder(s) or the author(s)', 'copyright owner or entity authorized', 'copyright owner or contributors', 'copyright for a new language file should be exclusivly the authors', 'copyright holder or said author', 'copyright holder, or any author', 'copyrighted material, only this license, or another one contracted with the authors', 'copyright notices, authorship', 'copyright holder means the original author(s)', "copyright notice. timevar.def's author", "copyright holder or simply that it is author-maintained'.", "copyright holder or simply that is author-maintained'.", '(c) if you bring a patent claim against any contributor', 'copyright-check writable-files m4-check author_mark_check', # 'copyrighting it yourself or claiming authorship' ]) return c.lower() in junk class CopyrightDetector(object): """ Class to detect copyrights and authorship. """ def __init__(self): self.tagger = nltk.RegexpTagger(patterns) self.chunker = nltk.RegexpParser(grammar, trace=COPYRIGHT_TRACE) @staticmethod def as_str(node): """ Return a parse tree node as a space-normalized string. """ node_string = ' '.join(k for k, _ in node.leaves()) return u' '.join(node_string.split()) def detect(self, numbered_lines): """ Return a sequence of tuples (copyrights, authors, years, holders) detected in a sequence of numbered line tuples. """ numbered_lines = list(numbered_lines) numbers = [n for n, _l in numbered_lines] start_line = min(numbers) end_line = max(numbers) # logger.debug('CopyrightDetector:detect:lines numbers: %(start_line)d->%(end_line)d' % locals()) tokens = self.get_tokens(numbered_lines) # we accumulate detected items in these synchronized lists # this could be a single list of namedtuples # or a list of dicts instead copyrights, authors, years, holders = [], [], [], [] if not tokens: return copyrights, authors, years, holders, None, None # OPTIMIZED copyrights_append = copyrights.append authors_append = authors.append years_append = years.append holders_append = holders.append # first, POS tag each token using token regexes tagged_text = self.tagger.tag(tokens) logger.debug('CopyrightDetector:tagged_text: ' + str(tagged_text)) # then build a parse tree based on tagged tokens tree = self.chunker.parse(tagged_text) logger.debug('CopyrightDetector:parse tree: ' + str(tree)) # OPTIMIZED nltk_tree_Tree = nltk.tree.Tree CopyrightDetector_as_str = CopyrightDetector.as_str def collect_year_and_holder(detected_copyright): """ Walk the a parse sub-tree starting with the `detected_copyright` node collecting all years and holders. """ for copyr in detected_copyright: if isinstance(copyr, nltk_tree_Tree): # logger.debug('n: ' + str(copyr)) node_text = CopyrightDetector_as_str(copyr) copyr_label = copyr.label() if 'YR-RANGE' in copyr_label: years_append(refine_date(node_text)) elif 'NAME' == copyr_label or 'COMPANY' in copyr_label: # FIXME : this would wreck things like 23andme # where a company name contains numbers holders_append(refine_author(node_text)) # logger.debug('CopyrightDetector: node_text: ' + node_text) else: collect_year_and_holder(copyr) # then walk the parse tree, collecting copyrights, years and authors for tree_node in tree: if isinstance(tree_node, nltk_tree_Tree): node_text = CopyrightDetector_as_str(tree_node) tree_node_label = tree_node.label() if 'COPYRIGHT' in tree_node_label: if node_text and node_text.strip(): refined = refine_copyright(node_text) if not is_junk(refined): copyrights_append(refined) collect_year_and_holder(tree_node) elif tree_node_label == 'AUTHOR': authors_append(refine_author(node_text)) return copyrights, authors, years, holders, start_line, end_line def get_tokens(self, numbered_lines): """ Return an iterable of tokens from lines of text. """ tokens = [] tokens_append = tokens.append # simple tokenization: spaces and some punctuation splitter = re.compile('[\\t =;]+').split for _line_number, line in numbered_lines: line = line.strip() if line: line = prepare_text_line(line) if line : line = strip_markup(line) if line and line.strip(): for tok in splitter(line): # strip trailing quotes and ignore empties tok = tok.strip("' ") if not tok: continue # strip trailing colons: why? tok = tok.rstrip(':').strip() # strip leading @: : why? tok = tok.lstrip('@').strip() if tok and tok not in (':',): tokens_append(tok) logger.debug('CopyrightDetector:tokens: ' + repr(tokens)) return tokens def is_candidate(line): """ Return True if a line is a candidate line for copyright detection """ line = line.lower() line = prepare_text_line(line) if has_content(line): if copyrights_hint.years(line): logger.debug('is_candidate: year in line:\n%(line)r' % locals()) return True else: logger.debug('is_candidate: NOT year in line:\n%(line)r' % locals()) for marker in copyrights_hint.statement_markers: if marker in line: logger.debug('is_candidate: %(marker)r in line:\n%(line)r' % locals()) return True def has_content(line): """ Return True if a line has some content, ignoring white space, digit and punctuation. """ return re.sub(r'\W+', '', line) def is_all_rights_reserved(line): """ Return True if a line ends with "all rights reserved"-like statements. """ line = prepare_text_line(line) # remove any non-character line = re.sub(r'\W+', '', line) line = line.strip() line = line.lower() return line.endswith(('rightreserved', 'rightsreserved')) def candidate_lines(lines): """ Yield lists of candidate lines where each list element is a tuple of (line number, line text). A candidate line is a line of text that may contain copyright statements. A few lines before and after a candidate line are also included. """ candidates = deque() candidates_append = candidates.append candidates_clear = candidates.clear previous = None # used as a state and line counter in_copyright = 0 for line_number, line in enumerate(lines): # the first line number is ONE, not zero numbered_line = (line_number + 1, line) if is_candidate(line): # the state is now "in copyright" in_copyright = 2 # we keep one line before a candidate line if any if previous: candidates_append(previous) previous = None # we keep the candidate line and yield if we reached the end # of a statement candidates_append(numbered_line) if is_all_rights_reserved(line): yield list(candidates) candidates_clear() in_copyright = 0 else: if in_copyright: # if the previous line was a candidate # then we keep one line after that candidate line if has_content(line): candidates_append(numbered_line) # and decrement our state in_copyright -= 1 else: if candidates: yield list(candidates) candidates_clear() in_copyright = 0 else: # if are neither a candidate line nor the line just after # then we yield the accumulated lines if any if candidates: yield list(candidates) candidates_clear() # and we keep track of this line as "previous" if has_content(line): previous = numbered_line else: previous = None # finally if candidates: yield list(candidates) def strip_markup(text): """ Strip markup tags from text. """ html_tag_regex = re.compile( r'<' r'[(--)\?\!\%\/]?' r'[a-zA-Z0-9#\"\=\s\.\;\:\%\&?!,\+\*\-_\/]+' r'\/?>', re.MULTILINE | re.UNICODE ) if text: text = re.sub(html_tag_regex, ' ', text) return text COMMON_WORDS = set([ 'Unicode', 'Modified', 'NULL', 'FALSE', 'False', 'TRUE', 'True', 'Last', 'Predefined', 'If', 'Standard', 'Version', 'Versions', 'Package', 'PACKAGE', 'Powered', 'Licensed', 'License', 'License.' 'Licensee', 'License:', 'License-Alias:', 'Legal', 'Entity', 'Indemnification.', 'AS', 'IS', 'See', 'This', 'Java', 'DoubleClick', 'DOM', 'SAX', 'URL', 'Operating System', 'Original Software', 'Berkeley Software Distribution', 'Software Release', 'Release', 'IEEE Std', 'BSD', 'POSIX', 'Derivative Works', 'Intellij IDEA', 'README', 'NEWS', 'ChangeLog', 'CHANGElogger', 'Changelog', 'Redistribution', ]) def lowercase_well_known_word(text): """ Return text with certain words lowercased. Rationale: some common words can start with a capital letter and be mistaken for a named entity because capitalized words are often company names. """ lines = [] lines_append = lines.append for line in text.splitlines(True): words = [] words_append = words.append for word in line.split(): if word in COMMON_WORDS: word = word.lower() words_append(word) lines_append(' '.join(words)) return '\n'.join(lines) # FIXME: instead of using functions, use plain re and let the re cache do its work def IGNORED_PUNCTUATION_RE(): return re.compile(r'[*#"%\[\]\{\}`]+', re.I | re.M | re.U) def ASCII_LINE_DECO_RE(): return re.compile(r'[-_=!\\*]{2,}') def ASCII_LINE_DECO2_RE(): return re.compile(r'/{3,}') def WHITESPACE_RE(): return re.compile(r' +') def MULTIQUOTES_RE(): return re.compile(r"\'{2,}") # TODO: add debian <s> </s> POS name taggings def DEBIAN_COPYRIGHT_TAGS_RE(): return re.compile(r"(\<s\>|\<s\\/>)") def prepare_text_line(line): """ Prepare a line of text for copyright detection. """ re_sub = re.sub # FIXME: maintain the original character positions # strip whitespace line = line.strip() # strip comment markers # common comment characters line = line.strip('\\/*#%;') # un common comment line prefix in dos line = re_sub('^rem\s+', ' ', line) line = re_sub('^\@rem\s+', ' ', line) # un common comment line prefix in autotools am/in line = re_sub('^dnl\s+', ' ', line) # un common comment line prefix in man pages line = re_sub('^\.\\\\"', ' ', line) # un common pipe chars in some ascii art line = line.replace('|', ' ') # normalize copyright signs and spacing aournd them line = line.replace('(C)', ' (c) ') line = line.replace('(c)', ' (c) ') # the case of \251 is tested by 'weirdencoding.h' line = line.replace(u'\251', u' (c) ') line = line.replace('&copy;', ' (c) ') line = line.replace('&#169;', ' (c) ') line = line.replace('&#xa9;', ' (c) ') line = line.replace(u'\xa9', ' (c) ') # FIXME: what is \xc2??? line = line.replace(u'\xc2', '') # TODO: add more HTML entities replacements # see http://www.htmlhelp.com/reference/html40/entities/special.html # convert html entities &#13;&#10; CR LF to space line = line.replace(u'&#13;&#10;', ' ') line = line.replace(u'&#13;', ' ') line = line.replace(u'&#10;', ' ') # normalize (possibly repeated) quotes to unique single quote ' # backticks ` and " line = line.replace(u'`', "'") line = line.replace(u'"', "'") line = re.sub(MULTIQUOTES_RE(), "'", line) # quotes to space? but t'so will be wrecked # line = line.replace(u"'", ' ') # some trailing garbage ') line = line.replace("')", ' ') # note that we do not replace the debian tag by a space: we remove it # TODO: use POS tag: (r'^(?:\<s\>).*(?:\<s\\/>)$', 'NAME'), line = re_sub(DEBIAN_COPYRIGHT_TAGS_RE(), '', line) line = re_sub(IGNORED_PUNCTUATION_RE(), ' ', line) # tabs to spaces line = line.replace('\t', ' ') # normalize spaces around commas line = line.replace(' , ', ', ') # remove ASCII "line decorations" # such as in --- or === or !!! or ***** line = re_sub(ASCII_LINE_DECO_RE(), ' ', line) line = re_sub(ASCII_LINE_DECO2_RE(), ' ', line) # Replace escaped literal \0 \n \r \t that may exist as-is by a space # such as in code literals: a="\\n some text" line = line.replace('\\r', ' ') line = line.replace('\\n', ' ') line = line.replace('\\t', ' ') line = line.replace('\\0', ' ') # TODO: Why? # replace contiguous spaces with only one occurrence # line = re.sub(WHITESPACE_RE(), ' ', text) # normalize to ascii text line = commoncode.text.toascii(line) # logger.debug("ascii_only_text: " + text) # strip verbatim back slash and comment signs again at both ends of a line # FIXME: this is done at the start of this function already line = line.strip('\\/*#%;') # normalize to use only LF as line endings so we can split correctly # and keep line endings line = commoncode.text.unixlinesep(line) # why? line = lowercase_well_known_word(line) return line
yashdsaraf/scancode-toolkit
src/cluecode/copyrights.py
Python
apache-2.0
47,037
[ "VisIt" ]
5de2bc2698e148080de271a0e992dd6d14a963334a0ce46be9bd718ad3e133b3
# -*- coding: utf-8 -*- """ ORCA Open Remote Control Application Copyright (C) 2013-2020 Carsten Thielepape Please contact me by : http://www.orca-remote.org/ This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see <http://www.gnu.org/licenses/>. """ from enum import Enum __all__ = ['eReturnCode'] class eReturnCode(Enum): Nothing = -2 Error = 1 Success = 0 NotFound = -3 Unknown = -4 def __str__(self): return str(self.value)
thica/ORCA-Remote
src/ORCA/actions/ReturnCode.py
Python
gpl-3.0
1,130
[ "ORCA" ]
52e4d693bfbc34874a7faf8460e4dc1292d4124971aa2bb10cfe518ec3cf5b49
#!/home/epicardi/bin/python27/bin/python # Copyright (c) 2013-2014 Ernesto Picardi <ernesto.picardi@uniba.it> # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. import sys, os, time, math, random, getopt, operator, string, errno try: import pysam except: sys.exit('Pysam module not found.') from multiprocessing import Process, Queue from Queue import Empty version='1.0' pid=str(os.getpid()+random.randint(0,999999999)) def usage(): print """ USAGE: python REDItoolKnown.py [options] Options: -i BAM file -I Sort input BAM file -f Reference in fasta file -l List of known RNA editing events -C Base interval to explore [100000] -k List of chromosomes to skip separated by comma or file -t Number of threads [1] -o Output folder [rediFolder_%s] -F Internal folder name [null] -c Min. read coverage [10] -Q Fastq offset value [33] -q Min. quality score [25] -m Min. mapping quality score [25] -O Min. homoplymeric length [5] -s Infer strand (for strand oriented reads) [1] -g Strand inference type 1:maxValue 2:useConfidence [1] -x Strand confidence [0.70] -S Strand correction -G Infer strand by gff annotation (must be sorted, otherwise use -X) -X Sort annotation files -K File with positions to exclude -e Exclude multi hits -d Exclude duplicates -p Use paired concardant reads only -u Consider mapping quality -T Trim x bases up and y bases down per read [0-0] -B Blat folder for correction -U Remove substitutions in homopolymeric regions -v Min. num. of reads supporting the variation [3] -n Min. editing frequency [0.1] -E Exclude positions with multiple changes -P File containing splice sites annotations -r Num. of bases near splice sites to explore [4] -h Print this help """%(pid) try: opts, args = getopt.getopt(sys.argv[1:], "i:f:k:t:o:c:Q:q:m:O:s:edpuT:B:Sv:n:EP:r:hIXG:K:l:C:F:x:g:U") except getopt.GetoptError as err: print str(err) # will print something like "option -a not recognized" usage() sys.exit(2) corrstr=0 strconf=0.70 #confidenza strand useconf=0 bamfile='' fastafile='' sortbam=0 kfile='' nochrs=[] NCPU=1 infolder='' outfolder_='rediFolder_%s' %(pid) MINCOV=10 QVAL=33 MQUAL=25 MAPQ=20 homo=5 rmpv = '0-0' rmp = [int(x) for x in rmpv.split('-')] getstrand=0 # considera la strand exh=0 # escludi multi hits exd=0 # escludi duplicati conc=0 # se presenti paired-end, usa solo quelle concordanti mq=0 # considera il map quality rmnuc=0 # rimuovi nucleotide a monte ed a valle delle read; connesso a rmp e rmpv blatr=0 # applica la correzione blat blatfolder='' rmsh=0 # rimuovi sostituzioni in omopolimeri di lunghezza maggiore o uguale a homo vnuc=3 # numero minimo di basi che supportano la variazione mmf=0.1 # frequenza minima della variazione exms=0 # escludi sostituzioni multiple exss=0 # escludi posizioni introniche nei pressi dei siti di splicing a nss nucleotidi nss=4 # basi introniche da esplorare per ogni sito si splicing splicefile='' #'splicesites.hg18.sorted.txt' #custsub=0 # use custom distribution #custfile='' # custom distribution file #sigsites=0 # select significant sites #test = 'bh' # select statistical test usubs=[x+y for x in 'ACGT' for y in 'ACGT' if x!=y] # use these substitutions [default all] #sval=0.05 # significant value annfile='' # use annotation file for strand correction and features sortann=0 # sort annotation file uann=0 # use annotation exfile='' # use annotations to exclude positions expos=0 # chunckval=100000 unchange1=1 unchange2=0 for o, a in opts: if o == "-h": usage() sys.exit() elif o == "-i": bamfile=a elif o == "-f": fastafile=a elif o == "-l": kfile=a elif o == "-k": if os.path.exists(a): f=open(a) nochrs=[x.strip() for x in f if x.strip()!=''] f.close() else: nochrs=[x for x in a.split(',') if x.strip()!=''] elif o == "-t": NCPU=int(a) elif o == "-F": infolder=a elif o == "-o": outfolder_=a elif o == "-c": MINCOV=int(a) elif o == "-Q": QVAL=int(a) elif o == "-q": MQUAL=int(a) elif o == "-m": MAPQ=int(a) elif o == "-O": homo=int(a) elif o == "-x": strconf=float(a) elif o == "-g": if a=='2': useconf=1 elif o == "-s": getstrand=1 if int(a)==1: unchange1,unchange2=1,0 elif int(a)==0: unchange1,unchange2=0,0 elif int(a)==2: unchange1,unchange2=0,1 elif int(a)==12: unchange1,unchange2=1,1 elif o == "-U": usubs=[x.upper() for x in a.split(',') if i.strip()!=''] elif o == "-e": exh=1 elif o == "-d": exd=1 elif o == "-p": conc=1 elif o == "-I": sortbam=1 elif o == "-X": sortann=1 elif o == "-C": chunckval=int(a) elif o == "-u": mq=1 elif o == "-T": rmpv = a try: rmp = [int(x) for x in rmpv.split('-')] rmnuc=1 except: rmnuc=0 elif o == "-B": blatfolder=a if os.path.exists(blatfolder): blatr=1 elif o == "-S": corrstr=1 elif o == "-U": rmsh=1 elif o == "-v": vnuc=int(a) elif o == "-n": mmf=float(a) elif o == "-E": exms=1 elif o == "-P": splicefile=a if os.path.exists(splicefile): exss=1 elif o == "-K": exfile=a if os.path.exists(exfile): expos=1 elif o == "-r": nss=int(a) elif o == "-G": annfile=a uann=1 else: assert False, "Unhandled Option" ####### commandLine=' '.join(sys.argv[1:]) script_time=time.strftime("%d/%m/%Y %H:%M:%S", time.localtime(time.time())) params=[] #Input parameters params.append('REDItoolKnown version %s\n' %(version)) params.append('User command line: %s\n' %(commandLine)) params.append('Analysis ID: %s\n' %(pid)) params.append('Analysis time: %s\n' %(script_time)) params.append('-i --> BAM file: %s\n' %(bamfile)) params.append('-f --> Reference file: %s\n' %(fastafile)) params.append('-I --> Sort input BAM file: %i\n' %(sortbam)) params.append('-l --> File with known RNA editing positions: %s\n' %(kfile)) params.append('-X --> Sort annotation files: %i\n' %(sortann)) params.append('-k --> Regions to exclude: %s\n' %(','.join(nochrs))) params.append('-t --> Number of working threads: %i\n' %(NCPU)) params.append('-C --> Base interval to explore: %i\n' %(chunckval)) params.append('-o --> Output folder: %s\n' %(outfolder_)) params.append('-F --> Infolder folder: %s\n' %(infolder)) params.append('-c --> Min. per base coverage: %i\n' %(MINCOV)) params.append('-Q --> FastQ offset value: %i\n' %(QVAL)) params.append('-q --> Min. per base quality: %i\n' %(MQUAL)) params.append('-m --> Min. mapping quality: %i\n' %(MAPQ)) params.append('-O --> Min. homoplymeric length: %i\n' %(homo)) params.append('-s --> Infer strand: %i - %i-%i\n' %(getstrand,unchange1,unchange2)) params.append('-g --> Use confidence: %i\n' %(useconf)) params.append('-x --> Strand confidence: %.2f\n' %(strconf)) params.append('-S --> Strand correction : %i\n' %(corrstr)) params.append('-G --> GFF annotation to infer strand: %s\n' %(annfile)) params.append('-e --> Exclude multi hits: %i\n' %(exh)) params.append('-d --> Exclude duplicates: %i\n' %(exd)) params.append('-p --> Use paired concardant reads only: %i\n' %(conc)) params.append('-u --> Consider mapping quality: %i\n' %(mq)) params.append('-T --> Trim x bases up and y bases down per read: %i - %i-%i\n' %(rmnuc,rmp[0],rmp[1])) params.append('-B --> Blat folder for correction: %s\n' %(blatfolder)) params.append('-S --> Remove substitutions in homopolymeric regions: %i\n' %(rmsh)) params.append('-v --> Min. num. of reads supporting the variation: %i\n' %(vnuc)) params.append('-n --> Min. editing frequency: %.2f\n' %(mmf)) params.append('-E --> Exclude positions with multiple changes: %i\n' %(exms)) params.append('-P --> File containing splice sites annotations: %s\n' %(splicefile)) params.append('-r --> Num. of bases near splice sites to explore: %i\n' %(nss)) params.append('-K --> File with positions to exclude: %s\n' %(exfile)) ####### def pid_exists(pid): """Check whether pid exists in the current process table.""" if pid < 0: return False try: os.kill(pid, 0) except OSError, e: return e.errno == errno.EPERM else: return True def get_no(pvalue,siglevel,ngenes): # No Correction lista=[] pp=siglevel y=0 for i in pvalue: p=i[0] if p<=siglevel: lista.append(i) y+=1 return lista,y,pp def get_b(pvalue,siglevel,ngenes): # Bonferroni pvalue.sort() lista=[] y=0 #bcorr=siglevel/ngenes pp=1.0 for i in pvalue: p=i[0]*ngenes if p<=siglevel: lista.append(i) #lista[i[1]]=i[0] y+=1 if p<pp: pp=p #print "Passed:",y,pp return lista,y,pp def get_bh(pvalue,siglevel,ngenes): # B-H pvalue.sort() #print ngenes lista=[] x=1 y=0 p=0 for i in pvalue: nf=i[0]*ngenes fdr=nf/x if fdr<=siglevel: #dic[i[1]]=i[0] lista.append(i) p=i[0] y+=1 x+=1 #print "Passed:",y,p return lista,y,p def getTail(pp): if ftail=='l': return pp.left_tail elif ftail=='r': return pp.right_tail elif ftail=='t': return pp.two_tail def getDicSS(dicp): # dicp = dizionario con le frequenze di sostituzione dicpp={} for i in dicp: if i[0]!=i[1]: dicpp[i]=1-dicp[i] return dicpp def getFreads(bases): fread={'A':0,'C':0,'G':0,'T':0} for i in range(4): if i==0: fread['A']=bases[i] elif i==1: fread['C']=bases[i] elif i==2: fread['G']=bases[i] elif i==3: fread['T']=bases[i] return fread def getSub(ref,fread,dics): #fread={A,C,G,T} nref=fread[ref.upper()] sub=[(ref.upper()+i,nref,fread[i]) for i in fread if i!=ref.upper() and fread[i]!=0] allsub=' '.join([x[0] for x in sub]) # lista del tipo [('AT', 50, 10), ('AG', 50, 2)] res=[] #[(int(dics[i[0]]*(i[1]+i[2])),((i[1]+i[2])-exp1),pvalue(i[1],i[2],int(dics[i[0]]*(i[1]+i[2])),((i[1]+i[2])-exp1))) for i in sub] for i in sub: #if binomial: # pval=bdtrc(i[2],i[1]+i[2],(1.0-dics[i[0]])) # #pval=Bprob(i[2],i[1]+i[2],(1.0-dics[i[0]])) # #print i[2],i[1]+i[2],(1.0-dics[i[0]]),pval # obs1,obs2,exp1,exp2=0,0,0,0 obs1=i[1] obs2=i[2] exp1=int(dics[i[0]]*(i[1]+i[2])) exp2=((i[1]+i[2]) - exp1) pval=pvalue(obs1,obs2,exp1,exp2) pval=getTail(pval) res.append((i[0],obs1,obs2,exp1,exp2,str(pval))) if len(res)==1: return res[0][5] #,allsub,fread elif len(res) > 1: rr=[float(x[-1]) for x in res] idx=rr.index(min(rr)) return res[idx][5] #,allsub,fread else: return '1.0' #,0,0 def BaseCount(seq,ref): b={'A':0,'C':0,'G':0,'T':0} subs=[] subv=[] for i in seq.upper(): if b.has_key(i): b[i]+=1 for i in b: if not b.has_key(ref): continue if b[i]!=0 and i!=ref: vv=float(b[i])/(b[i]+b[ref]) subv.append((b[i],vv,ref+i)) subv.sort() subv.reverse() for i in subv: if i[0]>=vnuc and i[1]>=mmf: subs.append(i[2]) freq=0.0 if len(subs)==0: subs.append('-') else: freq=subv[0][1] return sum(b.values()),[b['A'],b['C'],b['G'],b['T']],' '.join(subs),'%.2f'%(freq) def meanq(v,n): try:m=float(v)/n except: m=0.0 return '%.2f'%(m) def rmHomo(sequp,seqdw,gh,ref): if len(sequp)==0 and len(seqdw)==0: return 0 up,dw=0,0 for i in seqdw: if i==ref:dw+=1 else:break for i in sequp[::-1]: if i==ref:up+=1 else:break if up+dw+1 >= gh : return 1 return 0 def prop(tot,va): try: av=float(va)/tot except: av=0.0 return av def vstand(strand): vv=[(strand.count('+'),'+'),(strand.count('-'),'-'),(strand.count('*'),'*')] if vv[0][0]==0 and vv[1][0]==0: return '*' if useconf: totvv=sum([x[0] for x in vv[:2]]) if prop(totvv,vv[0][0])>=strconf: return '+' if prop(totvv,vv[1][0])>=strconf: return '-' return '*' else: if vv[0][0]==vv[1][0] and vv[2][0]==0: return '+' return max(vv)[1] def comp(s): a={'A':'T','T':'A','C':'G','G':'C'} ss='' for i in s.upper(): if a.has_key(i): ss+=a[i] else: ss+='N' return ss def whereis(program): for path in os.environ.get('PATH', '').split(':'): if os.path.exists(os.path.join(path, program)) and not os.path.isdir(os.path.join(path, program)): return 1 return 0 def vstrand(lista): if len(lista)==0: return '2' p=lista.count('+') m=lista.count('-') if p==len(lista): return '1' elif m==len(lista): return '0' else: return '2' def getd(lines): #fixed error in reading strand 6/3/2014 d={} for i in lines: l=(i.strip('\n\r')).split('\t') if len(l)>=3: if l[2]=='+': strand='1' elif l[2]=='-': strand='0' elif l[2] in '012': strand=l[2] else: strand='2' else: strand='2' d[int(l[1])]=strand return d def normByStrand(seq_,strand_,squal_,mystrand_): st='+' if mystrand_=='0': st='-' seq,qual,squal='',0,'' for i in range(len(seq_)): if strand_[i]==st: seq+=seq_[i] qual+=ord(squal_[i])-QVAL squal+=squal_[i] return seq,qual,squal def normByBlat(seq_,strand_,squal_,blatc_): seq,qual,squal,strand='',0,'','' for i in range(len(seq_)): if blatc_[i]=='1': seq+=seq_[i] qual+=ord(squal_[i])-QVAL squal+=squal_[i] strand=strand_[i] return seq,qual,squal,strand def testBlat(blc): if blc.count('1') > blc.count('0'): return 1 return 0 ####### script_time=time.strftime("%d/%m/%Y %H:%M:%S", time.localtime(time.time())) sys.stderr.write("Script time --> START: %s\n"%(script_time)) sys.stderr.write("Analysis ID: %s\n"%(pid)) if not os.path.exists(bamfile): usage() sys.exit('BAM file %s not found.' %(bamfile)) if sortbam: sys.stderr.write('Sorting BAM file.\n') pysam.sort(bamfile,'sorted_%s'%(pid)) os.rename(bamfile,bamfile+'_old') os.rename('sorted_%s.bam'%(pid),bamfile) sys.stderr.write('Indexing BAM file.\n') pysam.index(bamfile) if not os.path.exists(bamfile+'.bai') and not sortbam: sys.stderr.write('Indexing BAM file.\n') pysam.index(bamfile) if not os.path.exists(fastafile): usage() sys.exit('Fasta file %s not found.' %(fastafile)) if not os.path.exists(fastafile+'.fai'): sys.stderr.write('Indexing Fasta file.\n') pysam.faidx(fastafile) if not os.path.exists(kfile): sys.exit('File containing RNA editing positions not found.') if sortann: if not whereis('grep'): sys.exit('grep command not found.') if not whereis('sort'): sys.exit('sort command not found.') sys.stderr.write('Sorting file with known editing positions.\n') scmd='grep -v ^"chrom" %s | grep -v "^[[:space:]]*$" | sort -k1,1 -k2,2n > %s' %(kfile,'positions_%s'%(pid)) os.system(scmd) os.rename(kfile,kfile+'_old') os.rename('positions_%s'%(pid),kfile) if not os.path.exists(kfile+'.tbi'): sys.stderr.write('Indexing file with known positions.\n') kfile=pysam.tabix_index(kfile, seq_col=0, start_col=1, end_col=1) # Format for tabfile with positions: # chr start strand ################################## # check reference names rrefs={} ridxinfo=pysam.idxstats(bamfile) for j in ridxinfo: l=(j.strip()).split('\t') if l[0]=='*': continue if int(l[2])+int(l[3]) > 0: rrefs[l[0]]=int(l[1]) frefs=[] fidxinfo=open(fastafile+'.fai') for j in fidxinfo: l=(j.strip()).split('\t') if l[0]=='': continue frefs.append(l[0]) fidxinfo.close() # in rna-seq rnof=[] for i in rrefs.keys(): if i not in frefs: sys.stderr.write('WARNING: Region %s in RNA-Seq not found in reference file.\n' %(i)) ################################## if uann: getstrand=0 if not os.path.exists(annfile): usage() sys.exit('Annotation file %s not found.' %(annfile)) if sortann: if not whereis('grep'): sys.exit('grep command not found.') if not whereis('sort'): sys.exit('sort command not found.') sys.stderr.write('Sorting annotation file.\n') scmd='grep ^"#" %s; grep -v ^"#" %s | sort -k1,1 -k4,4n > %s' %(annfile,annfile,'annotation_%s'%(pid)) os.system(scmd) os.rename(annfile,annfile+'_old') os.rename('annotation_%s'%(pid),annfile) if not os.path.exists(annfile+'.tbi'): sys.stderr.write('Indexing annotation file.\n') annfile=pysam.tabix_index(annfile, preset='gff') if expos: if not os.path.exists(exfile): usage() sys.exit('File %s not found.' %(exfile)) if sortann: if not whereis('grep'): sys.exit('grep command not found.') if not whereis('sort'): sys.exit('sort command not found.') sys.stderr.write('Sorting file.\n') scmd='grep ^"#" %s; grep -v ^"#" %s | sort -k1,1 -k4,4n > %s' %(exfile,exfile,'exfile_%s'%(pid)) os.system(scmd) os.rename(exfile,exfile+'_old') os.rename('exfile_%s'%(pid),exfile) if not os.path.exists(exfile+'.tbi'): sys.stderr.write('Indexing %s file.\n' %(exfile)) exfile=pysam.tabix_index(exfile, preset='gff') #mainbam=pysam.Samfile(bamfile,"rb") #regions=mainbam.references #regionslens=mainbam.lengths #mainbam.close() #dicregions=dict([(regions[x],regionslens[x]) for x in range(len(regions))]) #chrs=[x for x in regions if x not in nochrs] dicregions=dict(rrefs.items()) chrs=[x for x in dicregions.keys() if x not in nochrs] sys.stderr.write('Analysis on %i regions.\n' %(len(chrs))) if infolder!='': outfolder=os.path.join(outfolder_,'known_%s_%s' %(infolder,pid)) else: outfolder=os.path.join(outfolder_,'known_%s' %(pid)) if not os.path.exists(outfolder): splitfolder=os.path.split(outfolder) if not os.path.exists(splitfolder[0]): os.mkdir(splitfolder[0]) os.mkdir(outfolder) outtable=os.path.join(outfolder,'outTable_%s' %(pid)) #write command line and input parameters f=open(os.path.join(outfolder,'parameters.txt'),'w') f.writelines(params) f.close() def exploreBAM(myinput): inputs=myinput.split('$') chr,bamfile=inputs[0],inputs[1] outfile=os.path.join(outfolder,'table_%s_%s'%(chr,pid)) #outfile2=os.path.join(outfolder,'subs_%s_%s'%(chr,pid)) d,di={},{} bam=pysam.Samfile(bamfile,"rb") fasta=pysam.Fastafile(fastafile) ktabix=pysam.Tabixfile(kfile) lenregion=dicregions[chr] if uann: tabix=pysam.Tabixfile(annfile) if expos: extabix=pysam.Tabixfile(exfile) out=open(outfile,'w') #if not custsub: # dsubs=dict([(x+y, 0) for x in 'ACGT' for y in 'ACGT']) # out2=open(outfile2,'w') #header='Region\tPosition\tReference\tCoverage\tMeanQuality\tBaseCount\tSubs\tFrequency\n' #out.write(header) sys.stderr.write('Started analysis on region: %s\n'%(chr)) if blatr: badblat=os.path.join(blatfolder,'blatseqs_%s.bad'%(chr)) if os.path.exists(badblat): sys.stderr.write('Using Blat mapping for region %s\n'%(chr)) f=open(badblat) for i in f: l=(i.strip()).split() d[l[0]+'_'+l[1]]=int(l[1]) f.close() sys.stderr.write('Found %i reads for region %s\n'%(len(d),chr)) if exss: if os.path.exists(splicefile): sys.stderr.write('Loading known splice sites for region %s\n'%(chr)) f=open(splicefile) for i in f: l=(i.strip()).split() if l[0]!=chr: continue st,tp,cc=l[4],l[3],int(l[1]) if st=='+' and tp=='D': for j in range(nss): di[cc+(j+1)]=0 if st=='+' and tp=='A': for j in range(nss): di[cc-(j+1)]=0 if st=='-' and tp=='D': for j in range(nss): di[cc-(j+1)]=0 if st=='-' and tp=='A': for j in range(nss): di[cc+(j+1)]=0 f.close() sys.stderr.write('Loaded %i positions for %s\n'%(len(di),chr)) if chr in ktabix.contigs: for kpos in range(0,lenregion,chunckval): startk,endk=kpos,(kpos+chunckval)-1 kres=[kk for kk in ktabix.fetch(reference=chr,start=startk,end=endk)] if len(kres)==0: continue kdic=getd(kres) #print kdic # else explore bam to find exact positions for pileupcolumn in bam.pileup(chr,startk,endk): if not startk<=pileupcolumn.pos<=endk: continue if not kdic.has_key(pileupcolumn.pos+1): continue ref=fasta.fetch(chr,pileupcolumn.pos,pileupcolumn.pos+1).upper() seq,qual,strand,squal,blatc='',0,'','','' if rmsh: if ((pileupcolumn.pos+1)-homo)-1 < 0: sequp='' else: sequp=(fasta.fetch(chr,((pileupcolumn.pos+1)-homo)-1,(pileupcolumn.pos+1)-1)).upper() seqdw=(fasta.fetch(chr,pileupcolumn.pos+1,(pileupcolumn.pos+1)+homo)).upper() for pileupread in pileupcolumn.pileups: # per ogni base dell'allineamento multiplo s,q,t,qq=pileupread.alignment.seq[pileupread.qpos].upper(),ord(pileupread.alignment.qual[pileupread.qpos])-QVAL,'*',pileupread.alignment.qual[pileupread.qpos] # escludi posizioni introniche nei pressi di splice sites if exss and di.has_key(pileupcolumn.pos+1): continue # multiple hit if exh and pileupread.alignment.is_secondary: continue # duplicates if exd and pileupread.alignment.is_duplicate: continue # se paired end if conc and pileupread.alignment.is_paired: # se non concordanti if not pileupread.alignment.is_proper_pair: continue # se concordanti ma nello stesso orientamento flag=pileupread.alignment.flag if pileupread.alignment.is_duplicate: flag=flag-1024 if pileupread.alignment.is_secondary: flag=flag-256 if flag in [67,131,115,179]: continue # mapping quality if mq and pileupread.alignment.mapq < MAPQ: continue #se la qualita' >= alla qualita' minima if q >= MQUAL and pileupcolumn.pos in pileupread.alignment.positions: #tags=dict(pileupread.alignment.tags) #deduci la strand per ogni posizione if getstrand: #usa le info del mapping se strand oriented if pileupread.alignment.is_read1: if unchange1: if pileupread.alignment.is_reverse: t='-' else: t='+' else: if pileupread.alignment.is_reverse: t='+' else: t='-' elif pileupread.alignment.is_read2: if unchange2: if pileupread.alignment.is_reverse: t='-' else: t='+' else: if pileupread.alignment.is_reverse: t='+' else: t='-' else: # for single ends if unchange1: if pileupread.alignment.is_reverse: t='-' else: t='+' else: if pileupread.alignment.is_reverse: t='+' else: t='-' if rmnuc: #rlen=pileupread.alignment.rlen #pileupread.alignment.qlen #lunghezza della specifica read #print rlen,pileupread.qpos,pileupread.alignment.qstart,pileupread.alignment.qend # verifica se il nuc deve essere rimosso alle estremita' nel range x-y # testare il forward #qp=pileupread.qpos #pileupread.qpos-pileupread.alignment.qstart #print pileupread.qpos,pileupread.alignment.rlen,len(pileupread.alignment.seq) #if pileupread.alignment.is_reverse: # if (rlen-qp)-1 < rmp[0]:continue # if (rlen-qp)-1 > ((rlen)-rmp[1])-1: continue #else: # if qp<rmp[0]:continue # if qp>(rlen-rmp[1])-1: continue rlen=pileupread.alignment.rlen #pileupread.alignment.qlen #lunghezza della specifica read qp=pileupread.qpos #pileupread.qpos-pileupread.alignment.qstart if pileupread.alignment.is_reverse: if qp>(rlen-rmp[0])-1: continue if qp<rmp[1]:continue else: if qp<rmp[0]:continue if qp>(rlen-rmp[1])-1: continue # se la read di appartenenza non mappa in modo univoco con Blat if blatr: rt=0 if pileupread.alignment.is_read1: rt=1 elif pileupread.alignment.is_read2: rt=2 rname=pileupread.alignment.qname+'_%i'%(rt) if d.has_key(rname): blatc+='0' #continue else: blatc+='1' # se la base e' diversa dal reference # se in regione omopolimerica scarta if rmsh and rmHomo(sequp,seqdw,homo,ref): continue seq+=s qual+=q strand+=t squal+=qq if seq.strip()!='': if blatr: if testBlat(blatc): seq,qual,squal,strand=normByBlat(seq,strand,squal,blatc) else: continue #print pileupcolumn.pos+1,seq,squal #mystrand=kdic[pileupcolumn.pos+1] #print mystrand try: mystrand=kdic[pileupcolumn.pos+1] except: mystrand='2' #print chr,pileupcolumn.pos+1,seq,strand, mystrand if uann and not getstrand: if chr in tabix.contigs: sres=[kk.strand for kk in tabix.fetch(reference=chr,start=(pileupcolumn.pos),end=(pileupcolumn.pos+1),parser=pysam.asGTF())] mystrand=vstrand(sres) if getstrand and not uann: mystr=vstand(strand) if mystr=='-': mystrand='0' elif mystr=='+': mystrand='1' else: mystrand='2' if mystrand=='0': seq=comp(seq) ref=comp(ref) #if getstrand and mystrand in ['1','0'] and not useconf: seq,qual,squal=normByStrand(seq,strand,squal,mystrand) if getstrand and mystrand in ['1','0'] and corrstr: seq,qual,squal=normByStrand(seq,strand,squal,mystrand) if uann and mystrand in ['1','0'] and corrstr: seq,qual,squal=normByStrand(seq,strand,squal,mystrand) #if not getstrand and not uann and mystrand in ['1','0']: seq,qual,squal=normByStrand(seq,strand,squal,mystrand) #print chr,pileupcolumn.pos+1,seq,strand,mystrand cov,bcomp,subs,freq=BaseCount(seq,ref) if cov < MINCOV: continue if exms and subs.count(' ')>0: continue mqua=meanq(qual,len(seq)) if expos: if chr in extabix.contigs: exres=[kk for kk in extabix.fetch(reference=chr,start=(pileupcolumn.pos),end=(pileupcolumn.pos+1))] if len(exres)>0: continue line='\t'.join([chr,str(pileupcolumn.pos+1),ref,mystrand,str(cov),(mqua),str(bcomp),subs,freq])+'\n' out.write(line) bam.close() fasta.close() ktabix.close() out.close() if uann: tabix.close() if expos: extabix.close() sys.stderr.write('Job completed for region: %s\n'%(chr)) def addPvalue(myinput2): # not used here inputs=myinput2.split('$') f=open(inputs[0]) subs=eval((f.readline()).strip()) f.close() dsubs={} for i in subs: dsubs[i]=float(subs[i])/sum(subs.values()) dsubss=getDicSS(dsubs) #print dsubss o=open(inputs[2],'w') f=open(inputs[1]) for i in f: l=(i.strip()).split('\t') if i.strip()=='': continue #if i.startswith('Region'): # l.append('Pvalue') # o.write('\t'.join(l)+'\n') # continue if l[6]!='-': pval=getSub(l[2],getFreads(eval(l[6])),dsubss) else: pval='1.0' l.append(pval) o.write('\t'.join(l)+'\n') o.close() def do_work(q): while True: try: x=q.get(block=False) exploreBAM(x) except Empty: break work_queue = Queue() for i in chrs: strinput=i+'$'+bamfile work_queue.put(strinput) processes=[Process(target=do_work, args=(work_queue,)) for i in range(NCPU)] for t in processes: t.start() for t in processes: t.join() time.sleep(0.5) # head='Region\tPosition\tReference\tStrand\tCoverage-q%i\tMeanQ\tBaseCount[A,C,G,T]\tAllSubs\tFrequency\n' %(MQUAL) sys.stderr.write('Merging Tables.\n') o=open(outtable,'w') o.write(head) for i in chrs: #tabfile=os.path.join(outfolder,'outTable_%s_%s' %(i,pid)) tabfile=os.path.join(outfolder,'table_%s_%s' %(i,pid)) if os.path.exists(tabfile): f=open(tabfile) for j in f: o.write(j) f.close() os.remove(tabfile) #os.remove(intabfile) o.close() #if sigsites: # sys.stderr.write('Selecting significant sites.\n') # outsig=os.path.join(outfolder,'outTableSig_%s' %(pid)) # f=open(outtable) # o=open(outsig,'w') # o.write(head) # allv=[] # for i in f: # if i.startswith('Region'): continue # if i.strip()=='': continue # l=(i.strip()).split('\t') # if l[7]=='-': continue # if l[7] not in usubs: continue # pp=float(l[9]) # allv.append((pp,i)) # if test=='bh': rr=get_bh(allv,sval,len(allv)) # elif test=='bo': rr=get_b(allv,sval,len(allv)) # else: rr=get_no(allv,sval,len(allv)) # for i in rr[0]: o.write(i[1]) # f.close() # o.close() sys.stderr.write('Results saved on %s\n'%(outtable)) #if sigsites: sys.stderr.write('Significant sites saved on %s\n'%(outsig)) script_time=time.strftime("%d/%m/%Y %H:%M:%S", time.localtime(time.time())) sys.stderr.write("Script time --> END: %s\n"%(script_time))
RNAEDITINGPLUS/main
node/reditools-1.0.4/reditools/REDItoolKnown.py
Python
apache-2.0
28,181
[ "pysam" ]
4b47f9d3732bb33170b1ed9bf33f36d429c8b5e1ebb8ddde16c86558daf317f9
# coding: utf-8 from __future__ import unicode_literals import re from .common import InfoExtractor from ..utils import ( ExtractorError, unsmuggle_url, ) from ..compat import ( compat_parse_qs, compat_urlparse, ) class SenateISVPIE(InfoExtractor): _COMM_MAP = [ ["ag", "76440", "http://ag-f.akamaihd.net"], ["aging", "76442", "http://aging-f.akamaihd.net"], ["approps", "76441", "http://approps-f.akamaihd.net"], ["armed", "76445", "http://armed-f.akamaihd.net"], ["banking", "76446", "http://banking-f.akamaihd.net"], ["budget", "76447", "http://budget-f.akamaihd.net"], ["cecc", "76486", "http://srs-f.akamaihd.net"], ["commerce", "80177", "http://commerce1-f.akamaihd.net"], ["csce", "75229", "http://srs-f.akamaihd.net"], ["dpc", "76590", "http://dpc-f.akamaihd.net"], ["energy", "76448", "http://energy-f.akamaihd.net"], ["epw", "76478", "http://epw-f.akamaihd.net"], ["ethics", "76449", "http://ethics-f.akamaihd.net"], ["finance", "76450", "http://finance-f.akamaihd.net"], ["foreign", "76451", "http://foreign-f.akamaihd.net"], ["govtaff", "76453", "http://govtaff-f.akamaihd.net"], ["help", "76452", "http://help-f.akamaihd.net"], ["indian", "76455", "http://indian-f.akamaihd.net"], ["intel", "76456", "http://intel-f.akamaihd.net"], ["intlnarc", "76457", "http://intlnarc-f.akamaihd.net"], ["jccic", "85180", "http://jccic-f.akamaihd.net"], ["jec", "76458", "http://jec-f.akamaihd.net"], ["judiciary", "76459", "http://judiciary-f.akamaihd.net"], ["rpc", "76591", "http://rpc-f.akamaihd.net"], ["rules", "76460", "http://rules-f.akamaihd.net"], ["saa", "76489", "http://srs-f.akamaihd.net"], ["smbiz", "76461", "http://smbiz-f.akamaihd.net"], ["srs", "75229", "http://srs-f.akamaihd.net"], ["uscc", "76487", "http://srs-f.akamaihd.net"], ["vetaff", "76462", "http://vetaff-f.akamaihd.net"], ["arch", "", "http://ussenate-f.akamaihd.net/"] ] _IE_NAME = 'senate.gov' _VALID_URL = r'http://www\.senate\.gov/isvp/\?(?P<qs>.+)' _TESTS = [{ 'url': 'http://www.senate.gov/isvp/?comm=judiciary&type=live&stt=&filename=judiciary031715&auto_play=false&wmode=transparent&poster=http%3A%2F%2Fwww.judiciary.senate.gov%2Fthemes%2Fjudiciary%2Fimages%2Fvideo-poster-flash-fit.png', 'info_dict': { 'id': 'judiciary031715', 'ext': 'flv', 'title': 'Integrated Senate Video Player', 'thumbnail': 're:^https?://.*\.(?:jpg|png)$', } }, { 'url': 'http://www.senate.gov/isvp/?type=live&comm=commerce&filename=commerce011514.mp4&auto_play=false', 'info_dict': { 'id': 'commerce011514', 'ext': 'flv', 'title': 'Integrated Senate Video Player' } }, { 'url': 'http://www.senate.gov/isvp/?type=arch&comm=intel&filename=intel090613&hc_location=ufi', # checksum differs each time 'info_dict': { 'id': 'intel090613', 'ext': 'mp4', 'title': 'Integrated Senate Video Player' } }] @staticmethod def _search_iframe_url(webpage): mobj = re.search( r"<iframe[^>]+src=['\"](?P<url>http://www\.senate\.gov/isvp/\?[^'\"]+)['\"]", webpage) if mobj: return mobj.group('url') def _get_info_for_comm(self, committee): for entry in self._COMM_MAP: if entry[0] == committee: return entry[1:] def _real_extract(self, url): url, smuggled_data = unsmuggle_url(url, {}) qs = compat_parse_qs(re.match(self._VALID_URL, url).group('qs')) if not qs.get('filename') or not qs.get('type') or not qs.get('comm'): raise ExtractorError('Invalid URL', expected=True) video_id = re.sub(r'.mp4$', '', qs['filename'][0]) webpage = self._download_webpage(url, video_id) if smuggled_data.get('force_title'): title = smuggled_data['force_title'] else: title = self._html_search_regex(r'<title>([^<]+)</title>', webpage, video_id) poster = qs.get('poster') thumbnail = poster[0] if poster else None video_type = qs['type'][0] committee = video_type if video_type == 'arch' else qs['comm'][0] stream_num, domain = self._get_info_for_comm(committee) formats = [] if video_type == 'arch': filename = video_id if '.' in video_id else video_id + '.mp4' formats = [{ # All parameters in the query string are necessary to prevent a 403 error 'url': compat_urlparse.urljoin(domain, filename) + '?v=3.1.0&fp=&r=&g=', }] else: hdcore_sign = '?hdcore=3.1.0' url_params = (domain, video_id, stream_num) f4m_url = '%s/z/%s_1@%s/manifest.f4m' % url_params + hdcore_sign m3u8_url = '%s/i/%s_1@%s/master.m3u8' % url_params for entry in self._extract_f4m_formats(f4m_url, video_id, f4m_id='f4m'): # URLs without the extra param induce an 404 error entry.update({'extra_param_to_segment_url': hdcore_sign}) formats.append(entry) for entry in self._extract_m3u8_formats(m3u8_url, video_id, ext='mp4', m3u8_id='m3u8'): mobj = re.search(r'(?P<tag>(?:-p|-b)).m3u8', entry['url']) if mobj: entry['format_id'] += mobj.group('tag') formats.append(entry) self._sort_formats(formats) return { 'id': video_id, 'title': title, 'formats': formats, 'thumbnail': thumbnail, }
marxin/youtube-dl
youtube_dl/extractor/senateisvp.py
Python
unlicense
5,890
[ "EPW" ]
16b164574f7945d0a3356e4cabb0985d88207a1dfdc96a276caa454b118fe0f5
import pymatgen structure = pymatgen.Structure( lattice = pymatgen.core.lattice.Lattice([[.0,.5,.5],[.5,.0,.5],[.5,.5,.0]]).scale(5.4309456887829**3/4), species= ['Si', 'Si'], coords = [3*[-.125], 3*[.125]], ) structure.to(filename='Si.cif') structure.to(filename='Si.json')
trangel/OPTpy
examples/data/structures/write-Si-structure.py
Python
gpl-3.0
294
[ "pymatgen" ]
480c38a3050ee0d624b9d231d73c91b5ab1b2f2cd9e213ea765e2ecc56229fb3
# PYTHON script to write and submit pbsjobs to queue import optparse import sys import string import os import stat # User inputted values and options parser = optparse.OptionParser(description="submit GROMACS grompp and mdrun commands to cluster queue.") parser.add_option("-f", "--fileprefix", help="the full prefix of the files of concern") parser.add_option("-s", "--states", help="the number of alchemical states (including endpoints). Default = 16", default = 16, type = int) parser.add_option("-G", "--gromacs", help="location of GROMACS binaries, default = /h3/n1/shirtsgroup/gromacs_46/Install_v462/bin", default = '/h3/n1/shirtsgroup/gromacs_46/Install_v462/bin') (options, args) = parser.parse_args() #Check for -f user input value (necessary) datafile_prefix = options.fileprefix if datafile_prefix == None: sys.exit("No data file prefix given, exiting.") num_states = options.states gromacs_loc = options.gromacs #Create dictionary with parameter values for modifying generic job file parameterdict = {'LOCATION' : gromacs_loc, 'NAME' : datafile_prefix} #Loop over lambda states for x in range(num_states): os.system('%(gromacs_loc)s/grompp_d -f %(datafile_prefix)s.%(x)s.mdp -c %(datafile_prefix)s.gro -p %(datafile_prefix)s.top -o %(datafile_prefix)s.%(x)s.tpr -maxwarn 2' % locals()) print 'finished'
hainm/open-forcefield-group
reweighting_optimization/scripts/grompp.py
Python
gpl-2.0
1,340
[ "Gromacs" ]
f5a09ba0f2a953c753555afdfa6ba8a789912bd8ee2d368c0e42b36a524e422e
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2013 Async Open Source ## ## This program is free software; you can redistribute it and/or ## modify it under the terms of the GNU Lesser General Public License ## as published by the Free Software Foundation; either version 2 ## of the License, or (at your option) any later version. ## ## This program is distributed in the hope that it will be useful, ## but WITHOUT ANY WARRANTY; without even the implied warranty of ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the ## GNU Lesser General Public License for more details. ## ## You should have received a copy of the GNU Lesser General Public License ## along with this program; if not, write to the Free Software ## Foundation, Inc., or visit: http://www.gnu.org/. ## ## ## Author(s): Stoq Team <stoq-devel@async.com.br> ## """Search extentions add columns and tables to search dialogs""" class SearchExtension(object): """A SearchExtension is intended to add extra columns to a SearchDialog. Suppose you have the following dialog: #>>> class ProductSearch(SearchDialog): #... search_spec = ProductsView #... #... def get_columns(self): #... return [Column('name')] This is the default search, and it has only one column. The use has the optical plugin installed, and this plugin adds a few more properties to a product, like the color of the product. A search extention for this dialog would be defined as: #>>> class OpticalProductSearchExtention(SearchExtension): #... spec_joins = [ #... LeftJoin(OpticalProduct, OpticalProduct.product_id == Product.id) #... ] #... #... spec_attributes = dict( #... color=OpticalProduct.color #... ) #... #... def get_columns(self): #... return [Column('color')] Then, the plugin should also connect to the event :class:`stoqlib.gui.events.SearchDialogSetupSearchEvent` and when the desired dialog is being set up, he should attach the extention: #>>> dialog = ProductSearch() #>>> dialog.add_extention(OpticalProductSearchExtention()) """ #: A list of table joins that will be added to the query of the search spec_joins = [] #: A dictionary of the columns that should be queried. Normally columns from #: the tables specified in the spec_joins above spec_attributes = {} def attach(self, search): """Attaches this extension to the given search dialog This will replace the viewable of the dialog by another one that is a subclass of the original, extended with the desired tables and columns, defined in the spec_joins and spec_attributes. """ search.search_spec = search.search_spec.extend_viewable(self.spec_attributes, self.spec_joins) search.add_columns(self.get_columns()) def get_columns(self): # pragma no cover """Returns the extra columns that should be added in the search dialog. If the column is not already present in the original viewable of the search dialog, it should be specified in the spec_attributes above """ raise NotImplementedError
andrebellafronte/stoq
stoqlib/gui/search/searchextension.py
Python
gpl-2.0
3,316
[ "VisIt" ]
fad4edf11e22c24f3eae46be07cbf977b3ff0aa8ddeac643f732a3e4c13eaf6e
# Copyright 2021 Open Source Robotics Foundation, Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Tests for the ResetLaunchConfigurations action class.""" from launch import LaunchContext from launch.actions import ResetLaunchConfigurations from launch.substitutions import LaunchConfiguration def test_reset_launch_configurations_constructors(): """Test the constructors for ResetLaunchConfigurations class.""" ResetLaunchConfigurations() ResetLaunchConfigurations({}) ResetLaunchConfigurations({'foo': 'FOO', 'bar': 'BAR'}) def test_reset_launch_configurations_execute(): """Test the execute() of the ResetLaunchConfigurations class.""" # Clear all existing launch configurations without initializer for # launch_configurations lc1 = LaunchContext() assert len(lc1.launch_configurations) == 0 lc1.launch_configurations['foo'] = 'FOO' lc1.launch_configurations['bar'] = 'BAR' assert len(lc1.launch_configurations) == 2 ResetLaunchConfigurations().visit(lc1) assert len(lc1.launch_configurations) == 0 # Clear all existing launch configurations with initializer for # launch_configurations = None lc2 = LaunchContext() assert len(lc2.launch_configurations) == 0 lc2.launch_configurations['foo'] = 'FOO' lc2.launch_configurations['bar'] = 'BAR' assert len(lc2.launch_configurations) == 2 ResetLaunchConfigurations(launch_configurations=None).visit(lc2) assert len(lc2.launch_configurations) == 0 # Clear all existing launch configurations with initializer for # launch_configurations = {} lc3 = LaunchContext() assert len(lc3.launch_configurations) == 0 lc3.launch_configurations['foo'] = 'FOO' lc3.launch_configurations['bar'] = 'BAR' assert len(lc3.launch_configurations) == 2 ResetLaunchConfigurations(launch_configurations={}).visit(lc3) assert len(lc3.launch_configurations) == 0 # Pass through an existing launch configuration lc4 = LaunchContext() assert len(lc4.launch_configurations) == 0 lc4.launch_configurations['foo'] = 'FOO' lc4.launch_configurations['bar'] = 'BAR' assert len(lc4.launch_configurations) == 2 ResetLaunchConfigurations(launch_configurations={'foo': LaunchConfiguration('foo')}).visit(lc4) assert len(lc4.launch_configurations) == 1 assert lc4.launch_configurations['foo'] == 'FOO' assert 'bar' not in lc4.launch_configurations.keys() # Add a launch configuration that did not exist lc5 = LaunchContext() assert len(lc5.launch_configurations) == 0 lc5.launch_configurations['foo'] = 'FOO' lc5.launch_configurations['bar'] = 'BAR' assert len(lc5.launch_configurations) == 2 ResetLaunchConfigurations(launch_configurations={'baz': 'BAZ'}).visit(lc5) assert len(lc5.launch_configurations) == 1 assert lc5.launch_configurations['baz'] == 'BAZ' assert 'foo' not in lc5.launch_configurations.keys() assert 'bar' not in lc5.launch_configurations.keys() # Overwrite an existing launch configuration lc6 = LaunchContext() assert len(lc6.launch_configurations) == 0 lc6.launch_configurations['foo'] = 'FOO' lc6.launch_configurations['bar'] = 'BAR' assert len(lc6.launch_configurations) == 2 ResetLaunchConfigurations(launch_configurations={'foo': 'OOF'}).visit(lc6) assert len(lc6.launch_configurations) == 1 assert lc6.launch_configurations['foo'] == 'OOF' assert 'bar' not in lc6.launch_configurations.keys()
ros2/launch
launch/test/launch/actions/test_reset_launch_configurations.py
Python
apache-2.0
3,998
[ "VisIt" ]
cc169dda51facb41927f6888f65efa00646c3622da6556a15fef47c1ac97d44e
""" Class to help creating a source detection pipeline with sep by creating 'steps' with different configurations. """ import os import numpy as np from scipy import ndimage from astropy.table import Table from astropy.convolution import Gaussian2DKernel from astropy.stats import gaussian_fwhm_to_sigma, gaussian_sigma_to_fwhm import sep from . import utils from .utils import check_kwargs_defaults, check_random_state from .log import logger __all__ = ['SepStepperBase', 'SepLsstStepper', 'sep_ellipse_mask'] def _byteswap(arr): """ If array is in big-endian byte order (as astropy.io.fits always returns), swap to little-endian for SEP. """ if arr.dtype.byteorder=='>': arr = arr.byteswap().newbyteorder() return arr def sep_ellipse_mask(sources, image_shape, scale=5.0): logger.info('building ellipse mask') mask = np.zeros(image_shape, dtype=bool) sep.mask_ellipse(mask, sources['x'], sources['y'], sources['a'], sources['b'], sources['theta'], scale) logger.info('{:.2f}% of patch masked'.format(100 * mask.sum()/mask.size)) return mask class SepStepperBase(object): SEP_EXTRACT_DEFAULTS = dict( thresh=5.0, minarea=10, deblend_nthresh=32, deblend_cont=0.005, clean=True, clean_param=1.0, filter_type='conv', filter_num_fwhm=1.0 ) SEP_BACK_DEFAULTS = dict(bw=64, bh=64, fw=3, fh=3, fthresh=0.0) def __init__(self, config_fn=None, config={}): if config_fn is not None: config = utils.read_config(config_fn) self.extract_pixstack = config.pop('extract_pixstack', 300000) sep.set_extract_pixstack(self.extract_pixstack) self.step_kws = config self.sources = {} def setup_image(self, image_object, **kwargs): """ Must make the followiing attributes: - image - noise_image (ndarray or number) - psf_fwhm (pixels) """ raise NotImplementedError def _measure(self, img, sources, mask=None): logger.info('measuring source parameters') # HACK: issues with numerical precision # must have pi/2 <= theta <= npi/2 sources[np.abs(np.abs(sources['theta']) - np.pi/2) < 1e-6] = np.pi/2 for p in ['x', 'y', 'a', 'b', 'theta']: sources = sources[~np.isnan(sources[p])] # calculate "AUTO" parameters kronrad, krflag = sep.kron_radius( img, sources['x'], sources['y'], sources['a'], sources['b'], sources['theta'], 6.0, mask=mask) flux, fluxerr, flag = sep.sum_ellipse( img, sources['x'], sources['y'], sources['a'], sources['b'], sources['theta'], 2.5*kronrad, subpix=5, mask=mask) flag |= krflag # combine flags into 'flag' sources = sources[~np.isnan(flux)] flux = flux[~np.isnan(flux)] sources = sources[flux > 0] flux = flux[flux > 0] mag_auto = utils.zpt - 2.5*np.log10(flux) r, flag = sep.flux_radius( img, sources['x'], sources['y'], 6.*sources['a'], 0.5, normflux=flux, subpix=5, mask=mask) sources['mag_auto'] = mag_auto sources['flux_auto'] = flux sources['flux_radius'] = r * utils.pixscale # approximate fwhm r_squared = sources['a']**2 + sources['b']**2 sources['fwhm'] = 2 * np.sqrt(np.log(2) * r_squared) * utils.pixscale q = sources['b'] / sources['a'] area = np.pi * q * sources['flux_radius']**2 sources['mu_ave_auto'] = sources['mag_auto'] + 2.5 * np.log10(2*area) area_arcsec = np.pi * (self.psf_fwhm/2)**2 * utils.pixscale**2 flux, fluxerr, flag = sep.sum_circle( img, sources['x'], sources['y'], self.psf_fwhm/2, subpix=5, mask=mask) flux[flux<=0] = np.nan mu_0 = utils.zpt - 2.5*np.log10(flux / area_arcsec) sources['mu_0_aper'] = mu_0 return sources def apply_mask(self, image, mask, inplace=True): img = image if inplace else image.copy() if type(self.noise_image) == np.ndarray: img[mask] = self.noise_image[mask] else: img[mask] = self.noise_image return img def run(self, step_name, mask=None): try: img = self.image.copy() except AttributeError: logger.error('You must setup image before running pipeline!') exit(1) logger.info('running ' + step_name) kws = self.step_kws[step_name].copy() sep_extract_kws = kws.pop('sep_extract_kws', {}) sep_extract_kws = check_kwargs_defaults(sep_extract_kws, self.SEP_EXTRACT_DEFAULTS) sep_back_kws = kws.pop('sep_back_kws', {}) sep_back_kws = check_kwargs_defaults(sep_back_kws, self.SEP_BACK_DEFAULTS) if mask is not None: logger.info('applying mask') sep_extract_kws['mask'] = mask sep_back_kws['mask'] = mask # define gaussian kernel for detection # TODO: make filter shape optional num_fwhm = sep_extract_kws.pop('filter_num_fwhm', 1) kernel_fwhm = self.psf_fwhm * num_fwhm logger.info('smoothing with kernel with fwhm = {:.2f} arcsec'.\ format(kernel_fwhm * utils.pixscale)) kern = Gaussian2DKernel(kernel_fwhm * gaussian_fwhm_to_sigma, mode='oversample') kern.normalize() sep_extract_kws['filter_kernel'] = kern.array # estimate background and subtract from image bkg = sep.Background(img, **sep_back_kws) img_sub = img - bkg # extract sources logger.info('detecting with a threshold of {} x background'.\ format(sep_extract_kws['thresh'])) sources, segmap = sep.extract( img_sub, err=bkg.rms(), segmentation_map=True, **sep_extract_kws) sources = Table(sources) sources = sources[sources['flux'] > 0] logger.info('found {} sources'.format(len(sources))) if kws['do_measure']: sources = self._measure(img, sources, mask) sources['seg_label'] = np.arange(1, len(sources) + 1) self.sources[step_name] = sources return sources, segmap class SepLsstStepper(SepStepperBase): def setup_image(self, exposure, random_state=None): self.image = exposure.getImage().getArray() self.psf_fwhm = utils.get_psf_sigma(exposure) * gaussian_sigma_to_fwhm self.noise_image = utils.make_noise_image(exposure.getMaskedImage(), random_state)
johnnygreco/hugs
hugs/sep_stepper.py
Python
mit
6,819
[ "Gaussian" ]
5cf1072e6336ecf99c6ad47909975bbdb5417f9631c0f5cb650702c7c12b1350
#!/usr/bin/env python # # Copyright 2006 Google Inc. All Rights Reserved. """Calculates Javascript dependencies without requiring Google3. It iterates over a number of search paths and builds a dependency tree. With the inputs provided, it walks the dependency tree and outputs all the files required for compilation.\n """ try: import distutils.version except ImportError: # distutils is not available in all environments distutils = None import logging import optparse import os import re import subprocess import sys req_regex = re.compile('goog\.require\s*\(\s*[\'\"]([^\)]+)[\'\"]\s*\)') prov_regex = re.compile('goog\.provide\s*\(\s*[\'\"]([^\)]+)[\'\"]\s*\)') ns_regex = re.compile('^ns:((\w+\.)*(\w+))$') version_regex = re.compile('[\.0-9]+') def IsValidFile(ref): """Returns true if the provided reference is a file and exists.""" return os.path.isfile(ref) def IsJsFile(ref): """Returns true if the provided reference is a Javascript file.""" return ref.endswith('.js') def IsNamespace(ref): """Returns true if the provided reference is a namespace.""" return re.match(ns_regex, ref) is not None def IsDirectory(ref): """Returns true if the provided reference is a directory.""" return os.path.isdir(ref) def ExpandDirectories(refs): """Expands any directory references into inputs. Description: Looks for any directories in the provided references. Found directories are recursively searched for .js files, which are then added to the result list. Args: refs: a list of references such as files, directories, and namespaces Returns: A list of references with directories removed and replaced by any .js files that are found in them. Also, the paths will be normalized. """ result = [] for ref in refs: if IsDirectory(ref): # Disable 'Unused variable' for subdirs # pylint: disable-msg=W0612 for (directory, subdirs, filenames) in os.walk(ref): for filename in filenames: if IsJsFile(filename): result.append(os.path.join(directory, filename)) else: result.append(ref) return map(os.path.normpath, result) class DependencyInfo(object): """Represents a dependency that is used to build and walk a tree.""" def __init__(self, filename): self.filename = filename self.provides = [] self.requires = [] def __str__(self): return '%s Provides: %s Requires: %s' % (self.filename, repr(self.provides), repr(self.requires)) def BuildDependenciesFromFiles(files): """Build a list of dependencies from a list of files. Description: Takes a list of files, extracts their provides and requires, and builds out a list of dependency objects. Args: files: a list of files to be parsed for goog.provides and goog.requires. Returns: A list of dependency objects, one for each file in the files argument. """ result = [] filenames = set() for filename in files: if filename in filenames: continue # Python 3 requires the file encoding to be specified if (sys.version_info[0] < 3): file_handle = open(filename, 'r') else: file_handle = open(filename, 'r', encoding='utf8') dep = DependencyInfo(filename) try: for line in file_handle: if re.match(req_regex, line): dep.requires.append(re.search(req_regex, line).group(1)) if re.match(prov_regex, line): dep.provides.append(re.search(prov_regex, line).group(1)) finally: file_handle.close() result.append(dep) filenames.add(filename) return result def BuildDependencyHashFromDependencies(deps): """Builds a hash for searching dependencies by the namespaces they provide. Description: Dependency objects can provide multiple namespaces. This method enumerates the provides of each dependency and adds them to a hash that can be used to easily resolve a given dependency by a namespace it provides. Args: deps: a list of dependency objects used to build the hash. Raises: Exception: If a multiple files try to provide the same namepace. Returns: A hash table { namespace: dependency } that can be used to resolve a dependency by a namespace it provides. """ dep_hash = {} for dep in deps: for provide in dep.provides: if provide in dep_hash: raise Exception('Duplicate provide (%s) in (%s, %s)' % ( provide, dep_hash[provide].filename, dep.filename)) dep_hash[provide] = dep return dep_hash def CalculateDependencies(paths, inputs): """Calculates the dependencies for given inputs. Description: This method takes a list of paths (files, directories) and builds a searchable data structure based on the namespaces that each .js file provides. It then parses through each input, resolving dependencies against this data structure. The final output is a list of files, including the inputs, that represent all of the code that is needed to compile the given inputs. Args: paths: the references (files, directories) that are used to build the dependency hash. inputs: the inputs (files, directories, namespaces) that have dependencies that need to be calculated. Raises: Exception: if a provided input is invalid. Returns: A list of all files, including inputs, that are needed to compile the given inputs. """ deps = BuildDependenciesFromFiles(paths + inputs) search_hash = BuildDependencyHashFromDependencies(deps) result_list = [] seen_list = [] for input_file in inputs: if IsNamespace(input_file): namespace = re.search(ns_regex, input_file).group(1) if namespace not in search_hash: raise Exception('Invalid namespace (%s)' % namespace) input_file = search_hash[namespace].filename if not IsValidFile(input_file) or not IsJsFile(input_file): raise Exception('Invalid file (%s)' % input_file) seen_list.append(input_file) file_handle = open(input_file, 'r') try: for line in file_handle: if re.match(req_regex, line): require = re.search(req_regex, line).group(1) ResolveDependencies(require, search_hash, result_list, seen_list) finally: file_handle.close() result_list.append(input_file) # All files depend on base.js, so put it first. base_js_path = FindClosureBasePath(paths) if base_js_path: result_list.insert(0, base_js_path) else: logging.warning('Closure Library base.js not found.') return result_list def FindClosureBasePath(paths): """Given a list of file paths, return Closure base.js path, if any. Args: paths: A list of paths. Returns: The path to Closure's base.js file including filename, if found. """ for path in paths: pathname, filename = os.path.split(path) if filename == 'base.js': f = open(path) is_base = False # Sanity check that this is the Closure base file. Check that this # is where goog is defined. for line in f: if line.startswith('var goog = goog || {};'): is_base = True break f.close() if is_base: return path def ResolveDependencies(require, search_hash, result_list, seen_list): """Takes a given requirement and resolves all of the dependencies for it. Description: A given requirement may require other dependencies. This method recursively resolves all dependencies for the given requirement. Raises: Exception: when require does not exist in the search_hash. Args: require: the namespace to resolve dependencies for. search_hash: the data structure used for resolving dependencies. result_list: a list of filenames that have been calculated as dependencies. This variable is the output for this function. seen_list: a list of filenames that have been 'seen'. This is required for the dependency->dependant ordering. """ if require not in search_hash: raise Exception('Missing provider for (%s)' % require) dep = search_hash[require] if not dep.filename in seen_list: seen_list.append(dep.filename) for sub_require in dep.requires: ResolveDependencies(sub_require, search_hash, result_list, seen_list) result_list.append(dep.filename) def GetDepsLine(dep, base_path): """Returns a JS string for a dependency statement in the deps.js file. Args: dep: The dependency that we're printing. base_path: The path to Closure's base.js including filename. """ return 'goog.addDependency("%s", %s, %s);' % ( os.path.normpath( GetRelpath(dep.filename, base_path)).replace('\\', '\\\\'), dep.provides, dep.requires) def GetRelpath(path, start): """Return a relative path to |path| from |start|.""" # NOTE: Python 2.6 provides os.path.relpath, which has almost the same # functionality as this function. Since we want to support 2.4, we have # to implement it manually. :( path_list = os.path.abspath(os.path.normpath(path)).split(os.sep) start_list = os.path.abspath( os.path.normpath(os.path.dirname(start))).split(os.sep) common_prefix_count = 0 for i in range(0, min(len(path_list), len(start_list))): if path_list[i] != start_list[i]: break common_prefix_count += 1 return os.sep.join(['..'] * (len(start_list) - common_prefix_count) + path_list[common_prefix_count:]) def PrintLine(msg, out): out.write(msg) out.write('\n') def PrintDeps(source_paths, deps, out): """Print out a deps.js file from a list of source paths. Args: source_paths: Paths that we should generate dependency info for. deps: Paths that provide dependency info. Their dependency info should not appear in the deps file. out: The output file. Returns: True on success, false if it was unable to find the base path to generate deps relative to. """ base_path = FindClosureBasePath(source_paths + deps) if not base_path: return False PrintLine('// This file was autogenerated by calcdeps.py', out) excludesSet = set(deps) for dep in BuildDependenciesFromFiles(source_paths + deps): if not dep.filename in excludesSet: PrintLine(GetDepsLine(dep, base_path), out) return True def PrintScript(source_paths, out): for index, dep in enumerate(source_paths): PrintLine('// Input %d' % index, out) f = open(dep, 'r') PrintLine(f.read(), out) f.close() def GetJavaVersion(): """Returns the string for the current version of Java installed.""" proc = subprocess.Popen(['java', '-version'], stderr=subprocess.PIPE) proc.wait() version_line = proc.stderr.read().splitlines()[0] return version_regex.search(version_line).group() def FilterByExcludes(options, files): """Filters the given files by the exlusions specified at the command line. Args: options: The flags to calcdeps. files: The files to filter. Returns: A list of files. """ excludes = [] if options.excludes: excludes = ExpandDirectories(options.excludes) excludesSet = set(excludes) return [i for i in files if not i in excludesSet] def GetPathsFromOptions(options): """Generates the path files from flag options. Args: options: The flags to calcdeps. Returns: A list of files in the specified paths. (strings). """ search_paths = options.paths if not search_paths: search_paths = ['.'] # Add default folder if no path is specified. search_paths = ExpandDirectories(search_paths) return FilterByExcludes(options, search_paths) def GetInputsFromOptions(options): """Generates the inputs from flag options. Args: options: The flags to calcdeps. Returns: A list of inputs (strings). """ inputs = options.inputs if not inputs: # Parse stdin logging.info('No inputs specified. Reading from stdin...') inputs = filter(None, [line.strip('\n') for line in sys.stdin.readlines()]) logging.info('Scanning files...') inputs = ExpandDirectories(inputs) return FilterByExcludes(options, inputs) def Compile(compiler_jar_path, source_paths, out, flags=None): """Prepares command-line call to Closure compiler. Args: compiler_jar_path: Path to the Closure compiler .jar file. source_paths: Source paths to build, in order. flags: A list of additional flags to pass on to Closure compiler. """ args = ['java', '-jar', compiler_jar_path] seen = {} for path in source_paths: if path not in seen: seen[path] = 1 args += ['--js', path] if flags: args += flags logging.info('Compiling with the following command: %s', ' '.join(args)) proc = subprocess.Popen(args, stdout=subprocess.PIPE) (stdoutdata, stderrdata) = proc.communicate() if proc.returncode != 0: logging.error('JavaScript compilation failed.') sys.exit(1) else: out.write(stdoutdata) def main(): """The entrypoint for this script.""" logging.basicConfig(format='calcdeps.py: %(message)s', level=logging.INFO) usage = 'usage: %prog [options] arg' parser = optparse.OptionParser(usage) parser.add_option('-i', '--input', dest='inputs', action='append', help='The inputs to calculate dependencies for. Valid ' 'values can be files, directories, or namespaces ' '(ns:goog.net.XhrLite). Only relevant to "list" and ' '"script" output.') parser.add_option('-p', '--path', dest='paths', action='append', help='The paths that should be traversed to build the ' 'dependencies.') parser.add_option('-d', '--dep', dest='deps', action='append', help='Directories or files that should be traversed to ' 'find required dependencies for the deps file. ' 'Does not generate dependency information for names ' 'provided by these files. Only useful in "deps" mode.') parser.add_option('-e', '--exclude', dest='excludes', action='append', help='Files or directories to exclude from the --path ' 'and --input flags') parser.add_option('-o', '--output_mode', dest='output_mode', action='store', default='list', help='The type of output to generate from this script. ' 'Options are "list" for a list of filenames, "script" ' 'for a single script containing the contents of all the ' 'file, "deps" to generate a deps.js file for all ' 'paths, or "compiled" to produce compiled output with ' 'the Closure compiler.') parser.add_option('-c', '--compiler_jar', dest='compiler_jar', action='store', help='The location of the Closure compiler .jar file.') parser.add_option('-f', '--compiler_flag', '--compiler_flags', # for backwards compatability dest='compiler_flags', action='append', help='Additional flag to pass to the Closure compiler. ' 'May be specified multiple times to pass multiple flags.') parser.add_option('--output_file', dest='output_file', action='store', help=('If specified, write output to this path instead of ' 'writing to standard output.')) (options, args) = parser.parse_args() search_paths = GetPathsFromOptions(options) if options.output_file: out = open(options.output_file, 'w') else: out = sys.stdout if options.output_mode == 'deps': result = PrintDeps(search_paths, ExpandDirectories(options.deps or []), out) if not result: logging.error('Could not find Closure Library in the specified paths') sys.exit(1) return inputs = GetInputsFromOptions(options) logging.info('Finding Closure dependencies...') deps = CalculateDependencies(search_paths, inputs) output_mode = options.output_mode if output_mode == 'script': PrintScript(deps, out) elif output_mode == 'list': # Just print out a dep per line for dep in deps: PrintLine(dep, out) elif output_mode == 'compiled': # Make sure a .jar is specified. if not options.compiler_jar: logging.error('--compiler_jar flag must be specified if --output is ' '"compiled"') sys.exit(1) # User friendly version check. if distutils and not (distutils.version.LooseVersion(GetJavaVersion()) > distutils.version.LooseVersion('1.6')): logging.error('Closure Compiler requires Java 1.6 or higher.') logging.error('Please visit http://www.java.com/getjava') sys.exit(1) Compile(options.compiler_jar, deps, out, options.compiler_flags) else: logging.error('Invalid value for --output flag.') sys.exit(1) if __name__ == '__main__': main()
jmt4/Selenium2
third_party/closure/bin/calcdeps.py
Python
apache-2.0
17,507
[ "VisIt" ]
1c4068c78a2e49fed6d9a8ef3046dfac3947fe7c59eeec4c1ed87c1358059303
import espresso import logging from math import sqrt system, integrator = espresso.standard_system.LennardJones(1000, (20,20,20), dt=0.00001, temperature = 1.0) # logging.getLogger("ExtAnalyze").setLevel(logging.INFO) print "warming up ..." capForce = espresso.integrator.CapForce(system, capForce=10000.0) integrator.addExtension(capForce) integrator.run(50000) capForce.disconnect() print "equilibrating ..." integrator.dt=0.005 integrator.run(50000) PressureTensor = espresso.analysis.PressureTensor(system) # interval between measurements interval = 10 ExtAnalyzePressureTensor = espresso.integrator.ExtAnalyze(PressureTensor, interval=interval) integrator.addExtension(ExtAnalyzePressureTensor) print "starting integration ... measuring pressure tensor every ", interval, " steps" PressureTensor.reset() integrator.run(10000) average_PressureTensor = PressureTensor.getAverageValue() print "average Pressure Tensor = ", average_PressureTensor[:6] print " std deviation = ", average_PressureTensor[6:] print "number of measurements = ", PressureTensor.getNumberOfMeasurements()
BackupTheBerlios/espressopp
examples/analyze_during_integration/analyze_during_integration.py
Python
gpl-3.0
1,099
[ "ESPResSo" ]
5b31188f4a229f62bd47815556f6a1abb779c8cafd106f5285b1e627745c2933
#!/usr/bin/python import numpy as np import matplotlib.pyplot as plt from numpy.random import rand, randn, permutation, multivariate_normal from shogun import BinaryLabels, RealFeatures, IndexBlock, IndexBlockGroup, FeatureBlockLogisticRegression def generate_synthetic_logistic_data(n, p, L, blk_nnz, gcov, nstd): # Generates synthetic data for the logistic regression, using the example # from [Friedman10] # n : # of observations # p : # of predictors # L : # of blocks # blk_nnz : # of non-zero coefs. in each block # gcov : correlation within groups # nstd : standard deviation of the added noise # size of each block (assumed to be an integer) pl = p / L # generating the coefficients (betas) coefs = np.zeros((p, 1)) for (i, nnz) in enumerate(blk_nnz): blkcoefs = np.zeros((pl, 1)) blkcoefs[0:nnz] = np.sign(rand(nnz, 1) - 0.5) coefs[pl * i:pl * (i + 1)] = permutation(blkcoefs) # generating the predictors mu = np.zeros(p) gsigma = gcov * np.ones((pl, pl)) np.fill_diagonal(gsigma, 1.0) Sigma = np.kron(np.eye(L), gsigma) # the predictors come from a standard Gaussian multivariate distribution X = multivariate_normal(mu, Sigma, n) # linear function of the explanatory variables in X, plus noise t = np.dot(X, coefs) + randn(n, 1) * nstd # applying the logit Pr = 1 / (1 + np.exp(-t)) # The response variable y[i] is a Bernoulli random variable taking # value 1 with probability Pr[i] y = rand(n, 1) <= Pr # we want each _column_ in X to represent a feature vector # y and coefs should be also 1D arrays return X.T, y.flatten(), coefs.flatten() def misclassified_groups(est_coefs, true_coefs, L): # Compute the number of groups that are misclassified, i.e. the ones with # at least one non-zero coefficient whose estimated coefficients are all # set to zero, or viceversa, as explained in [Friedman10] # est_coefs : coefficients estimated by the FBLR # true_coefs : the original coefficients of our synthetic example # L : number of blocks p = est_coefs.shape[0] # number of predictors pl = p / L est_nz = est_coefs != 0 true_nz = true_coefs != 0 est_blk_nzcount = np.array([sum(est_nz[pl * i:pl * (i + 1)]) for i in xrange(L)]) true_blk_nzcount = np.array([sum(true_nz[pl * i:pl * (i + 1)]) for i in xrange(L)]) return np.sum(np.logical_xor(est_blk_nzcount == 0, true_blk_nzcount == 0)) def misclassified_features(est_coefs, true_coefs): # Compute the number of individual coefficients that are misclassified, # i.e. estimated to be zero when the true coefficient is nonzero or # vice-versa, as explained in [Friedman10] # est_coefs : coefficients estimated by the FBLR # true_coefs : the original coefficients of our synthetic example return np.sum(np.logical_xor(est_coefs == 0, true_coefs == 0)) def compute_misclassifications(cls, true_coefs, L, rel_z): # Try the given classifier with different values of relative regularization # parameters, store the coefficients and compute the number of groups # and features misclassified. # INPUTS: # - cls : the classifier to try # - true_coefs : the original coefficients of our synthetic example # - L : number of blocks # - rel_z : regularization values to try, they will be in [0,1] # OUTPUTS: # - est_coefs : array with the estimated coefficients, each row for a # different value of regularization # - misc_groups, misc_feats : see above num_z = rel_z.shape[0] est_coefs = np.zeros((num_z, true_coefs.shape[0])) misc_groups = np.zeros(num_z) misc_feats = np.zeros(num_z) for (i, z) in enumerate(rel_z): cls.set_z(z) cls.train() est_coefs[i, :] = cls.get_w() misc_groups[i] = misclassified_groups(est_coefs[i, :], true_coefs, L) misc_feats[i] = misclassified_features(est_coefs[i, :], true_coefs) return est_coefs, misc_groups, misc_feats if __name__ == '__main__': print('FeatureBlockLogisticRegression example') np.random.seed(956) # reproducible results # default parameters from [Friedman10] n = 200 p = 100 L = 10 blk_nnz = [10, 8, 6, 4, 2, 1] gcov = 0.2 nstd = 0.4 # range of (relative) regularization values to try min_z = 0 max_z = 1 num_z = 21 # get the data X, y, true_coefs = generate_synthetic_logistic_data(n, p, L, blk_nnz, gcov, nstd) # here each column represents a feature vector features = RealFeatures(X) # we have to convert the labels to +1/-1 labels = BinaryLabels(np.sign(y.astype(int) - 0.5)) # SETTING UP THE CLASSIFIERS # CLASSIFIER 1: group LASSO # build the feature blocks and add them to the block group pl = p / L block_group = IndexBlockGroup() for i in xrange(L): block_group.add_block(IndexBlock(pl * i, pl * (i + 1))) cls_gl = FeatureBlockLogisticRegression(0.0, features, labels, block_group) # with set_regularization(1), the parameter z will indicate the fraction of # the maximum regularization to use, and so z is in [0,1] # (reference: SLEP manual) cls_gl.set_regularization(1) cls_gl.set_q(2.0) # it is the default anyway... # CLASSIFIER 2: LASSO (illustrating group lasso with all group sizes = 1) block_group_ones = IndexBlockGroup() for i in xrange(p): block_group_ones.add_block(IndexBlock(i, i + 1)) cls_l = FeatureBlockLogisticRegression(0.0, features, labels, block_group_ones) cls_l.set_regularization(1) cls_l.set_q(2.0) # trying with different values of (relative) regularization parameters rel_z = np.linspace(min_z, max_z, num_z) coefs_gl, miscgp_gl, miscft_gl = compute_misclassifications(cls_gl, true_coefs, L, rel_z) coefs_l, miscgp_l, miscft_l = compute_misclassifications(cls_l, true_coefs, L, rel_z) # Find the best regularization for each classifier # for the group lasso: the one that gives the fewest groups misclassified best_z_gl = np.argmin(miscgp_gl) # for the lasso: the one that gives the fewest features misclassified best_z_l = np.argmin(miscft_l) # plot the true coefs. and the signs of the estimated coefs. fig = plt.figure() for (coefs, best_z, name, pos) in zip([coefs_gl, coefs_l], [best_z_gl, best_z_l], ['Group lasso', 'Lasso'], [0, 1]): ax = plt.subplot2grid((4, 2), (pos, 0), colspan=2) plt.hold(True) plt.plot(xrange(p), np.sign(coefs[best_z, :]), 'o', markeredgecolor='none', markerfacecolor='g') plt.plot(xrange(p), true_coefs, '^', markersize=7, markeredgecolor='r', markerfacecolor='none', markeredgewidth=1) plt.xticks(xrange(0, p + pl, pl)) plt.yticks([-1, 0, 1]) plt.xlim((-1, p + 1)) plt.ylim((-2, 2)) plt.grid(True) # plt.legend(('estimated', 'true'), loc='best') plt.title(name) plt.xlabel('Predictor [triangles=true coefs], best reg. value = %.2f' % rel_z[best_z]) plt.ylabel('Coefficient') ax = plt.subplot2grid((4, 2), (2, 0), rowspan=2) plt.plot(rel_z, miscgp_gl, 'ro-', rel_z, miscgp_l, 'bo-') plt.legend(('Group lasso', 'Lasso'), loc='best') plt.title('Groups misclassified') plt.xlabel('Relative regularization parameter') plt.ylabel('# of groups misclassified') ax = plt.subplot2grid((4, 2), (2, 1), rowspan=2) plt.plot(rel_z, miscft_gl, 'ro-', rel_z, miscft_l, 'bo-') plt.legend(('Group lasso', 'Lasso'), loc='best') plt.title('Features misclassified') plt.xlabel('Relative regularization parameter') plt.ylabel('# of features misclassified') plt.tight_layout(1.2, 0, 0) plt.show()
besser82/shogun
examples/undocumented/python/graphical/group_lasso.py
Python
bsd-3-clause
7,789
[ "Gaussian" ]
bc91af7b943ffbdb8e9c5d8ea9daee9c8b52bc03d1d72c3c97c6462e7ee05bf5
# -*- coding: utf8 """Random Projection transformers Random Projections are a simple and computationally efficient way to reduce the dimensionality of the data by trading a controlled amount of accuracy (as additional variance) for faster processing times and smaller model sizes. The dimensions and distribution of Random Projections matrices are controlled so as to preserve the pairwise distances between any two samples of the dataset. The main theoretical result behind the efficiency of random projection is the `Johnson-Lindenstrauss lemma (quoting Wikipedia) <https://en.wikipedia.org/wiki/Johnson%E2%80%93Lindenstrauss_lemma>`_: In mathematics, the Johnson-Lindenstrauss lemma is a result concerning low-distortion embeddings of points from high-dimensional into low-dimensional Euclidean space. The lemma states that a small set of points in a high-dimensional space can be embedded into a space of much lower dimension in such a way that distances between the points are nearly preserved. The map used for the embedding is at least Lipschitz, and can even be taken to be an orthogonal projection. """ # Authors: Olivier Grisel <olivier.grisel@ensta.org>, # Arnaud Joly <a.joly@ulg.ac.be> # License: BSD 3 clause from __future__ import division import warnings from abc import ABCMeta, abstractmethod import numpy as np from numpy.testing import assert_equal import scipy.sparse as sp from .base import BaseEstimator, TransformerMixin from .externals import six from .externals.six.moves import xrange from .utils import check_random_state from .utils.extmath import safe_sparse_dot from .utils.random import sample_without_replacement from .utils.validation import check_array from .exceptions import DataDimensionalityWarning from .exceptions import NotFittedError __all__ = ["SparseRandomProjection", "GaussianRandomProjection", "johnson_lindenstrauss_min_dim"] def johnson_lindenstrauss_min_dim(n_samples, eps=0.1): """Find a 'safe' number of components to randomly project to The distortion introduced by a random projection `p` only changes the distance between two points by a factor (1 +- eps) in an euclidean space with good probability. The projection `p` is an eps-embedding as defined by: (1 - eps) ||u - v||^2 < ||p(u) - p(v)||^2 < (1 + eps) ||u - v||^2 Where u and v are any rows taken from a dataset of shape [n_samples, n_features], eps is in ]0, 1[ and p is a projection by a random Gaussian N(0, 1) matrix with shape [n_components, n_features] (or a sparse Achlioptas matrix). The minimum number of components to guarantee the eps-embedding is given by: n_components >= 4 log(n_samples) / (eps^2 / 2 - eps^3 / 3) Note that the number of dimensions is independent of the original number of features but instead depends on the size of the dataset: the larger the dataset, the higher is the minimal dimensionality of an eps-embedding. Read more in the :ref:`User Guide <johnson_lindenstrauss>`. Parameters ---------- n_samples : int or numpy array of int greater than 0, Number of samples. If an array is given, it will compute a safe number of components array-wise. eps : float or numpy array of float in ]0,1[, optional (default=0.1) Maximum distortion rate as defined by the Johnson-Lindenstrauss lemma. If an array is given, it will compute a safe number of components array-wise. Returns ------- n_components : int or numpy array of int, The minimal number of components to guarantee with good probability an eps-embedding with n_samples. Examples -------- >>> johnson_lindenstrauss_min_dim(1e6, eps=0.5) 663 >>> johnson_lindenstrauss_min_dim(1e6, eps=[0.5, 0.1, 0.01]) array([ 663, 11841, 1112658]) >>> johnson_lindenstrauss_min_dim([1e4, 1e5, 1e6], eps=0.1) array([ 7894, 9868, 11841]) References ---------- .. [1] https://en.wikipedia.org/wiki/Johnson%E2%80%93Lindenstrauss_lemma .. [2] Sanjoy Dasgupta and Anupam Gupta, 1999, "An elementary proof of the Johnson-Lindenstrauss Lemma." http://citeseer.ist.psu.edu/viewdoc/summary?doi=10.1.1.45.3654 """ eps = np.asarray(eps) n_samples = np.asarray(n_samples) if np.any(eps <= 0.0) or np.any(eps >= 1): raise ValueError( "The JL bound is defined for eps in ]0, 1[, got %r" % eps) if np.any(n_samples) <= 0: raise ValueError( "The JL bound is defined for n_samples greater than zero, got %r" % n_samples) denominator = (eps ** 2 / 2) - (eps ** 3 / 3) return (4 * np.log(n_samples) / denominator).astype(np.int) def _check_density(density, n_features): """Factorize density check according to Li et al.""" if density == 'auto': density = 1 / np.sqrt(n_features) elif density <= 0 or density > 1: raise ValueError("Expected density in range ]0, 1], got: %r" % density) return density def _check_input_size(n_components, n_features): """Factorize argument checking for random matrix generation""" if n_components <= 0: raise ValueError("n_components must be strictly positive, got %d" % n_components) if n_features <= 0: raise ValueError("n_features must be strictly positive, got %d" % n_components) def gaussian_random_matrix(n_components, n_features, random_state=None): """ Generate a dense Gaussian random matrix. The components of the random matrix are drawn from N(0, 1.0 / n_components). Read more in the :ref:`User Guide <gaussian_random_matrix>`. Parameters ---------- n_components : int, Dimensionality of the target projection space. n_features : int, Dimensionality of the original source space. random_state : int, RandomState instance or None (default=None) Control the pseudo random number generator used to generate the matrix at fit time. Returns ------- components : numpy array of shape [n_components, n_features] The generated Gaussian random matrix. See Also -------- GaussianRandomProjection sparse_random_matrix """ _check_input_size(n_components, n_features) rng = check_random_state(random_state) components = rng.normal(loc=0.0, scale=1.0 / np.sqrt(n_components), size=(n_components, n_features)) return components def sparse_random_matrix(n_components, n_features, density='auto', random_state=None): """Generalized Achlioptas random sparse matrix for random projection Setting density to 1 / 3 will yield the original matrix by Dimitris Achlioptas while setting a lower value will yield the generalization by Ping Li et al. If we note :math:`s = 1 / density`, the components of the random matrix are drawn from: - -sqrt(s) / sqrt(n_components) with probability 1 / 2s - 0 with probability 1 - 1 / s - +sqrt(s) / sqrt(n_components) with probability 1 / 2s Read more in the :ref:`User Guide <sparse_random_matrix>`. Parameters ---------- n_components : int, Dimensionality of the target projection space. n_features : int, Dimensionality of the original source space. density : float in range ]0, 1] or 'auto', optional (default='auto') Ratio of non-zero component in the random projection matrix. If density = 'auto', the value is set to the minimum density as recommended by Ping Li et al.: 1 / sqrt(n_features). Use density = 1 / 3.0 if you want to reproduce the results from Achlioptas, 2001. random_state : integer, RandomState instance or None (default=None) Control the pseudo random number generator used to generate the matrix at fit time. Returns ------- components: numpy array or CSR matrix with shape [n_components, n_features] The generated Gaussian random matrix. See Also -------- SparseRandomProjection gaussian_random_matrix References ---------- .. [1] Ping Li, T. Hastie and K. W. Church, 2006, "Very Sparse Random Projections". http://web.stanford.edu/~hastie/Papers/Ping/KDD06_rp.pdf .. [2] D. Achlioptas, 2001, "Database-friendly random projections", http://www.cs.ucsc.edu/~optas/papers/jl.pdf """ _check_input_size(n_components, n_features) density = _check_density(density, n_features) rng = check_random_state(random_state) if density == 1: # skip index generation if totally dense components = rng.binomial(1, 0.5, (n_components, n_features)) * 2 - 1 return 1 / np.sqrt(n_components) * components else: # Generate location of non zero elements indices = [] offset = 0 indptr = [offset] for i in xrange(n_components): # find the indices of the non-zero components for row i n_nonzero_i = rng.binomial(n_features, density) indices_i = sample_without_replacement(n_features, n_nonzero_i, random_state=rng) indices.append(indices_i) offset += n_nonzero_i indptr.append(offset) indices = np.concatenate(indices) # Among non zero components the probability of the sign is 50%/50% data = rng.binomial(1, 0.5, size=np.size(indices)) * 2 - 1 # build the CSR structure by concatenating the rows components = sp.csr_matrix((data, indices, indptr), shape=(n_components, n_features)) return np.sqrt(1 / density) / np.sqrt(n_components) * components class BaseRandomProjection(six.with_metaclass(ABCMeta, BaseEstimator, TransformerMixin)): """Base class for random projections. Warning: This class should not be used directly. Use derived classes instead. """ @abstractmethod def __init__(self, n_components='auto', eps=0.1, dense_output=False, random_state=None): self.n_components = n_components self.eps = eps self.dense_output = dense_output self.random_state = random_state self.components_ = None self.n_components_ = None @abstractmethod def _make_random_matrix(n_components, n_features): """ Generate the random projection matrix Parameters ---------- n_components : int, Dimensionality of the target projection space. n_features : int, Dimensionality of the original source space. Returns ------- components : numpy array or CSR matrix [n_components, n_features] The generated random matrix. """ def fit(self, X, y=None): """Generate a sparse random projection matrix Parameters ---------- X : numpy array or scipy.sparse of shape [n_samples, n_features] Training set: only the shape is used to find optimal random matrix dimensions based on the theory referenced in the afore mentioned papers. y : is not used: placeholder to allow for usage in a Pipeline. Returns ------- self """ X = check_array(X, accept_sparse=['csr', 'csc']) n_samples, n_features = X.shape if self.n_components == 'auto': self.n_components_ = johnson_lindenstrauss_min_dim( n_samples=n_samples, eps=self.eps) if self.n_components_ <= 0: raise ValueError( 'eps=%f and n_samples=%d lead to a target dimension of ' '%d which is invalid' % ( self.eps, n_samples, self.n_components_)) elif self.n_components_ > n_features: raise ValueError( 'eps=%f and n_samples=%d lead to a target dimension of ' '%d which is larger than the original space with ' 'n_features=%d' % (self.eps, n_samples, self.n_components_, n_features)) else: if self.n_components <= 0: raise ValueError("n_components must be greater than 0, got %s" % self.n_components_) elif self.n_components > n_features: warnings.warn( "The number of components is higher than the number of" " features: n_features < n_components (%s < %s)." "The dimensionality of the problem will not be reduced." % (n_features, self.n_components), DataDimensionalityWarning) self.n_components_ = self.n_components # Generate a projection matrix of size [n_components, n_features] self.components_ = self._make_random_matrix(self.n_components_, n_features) # Check contract assert_equal( self.components_.shape, (self.n_components_, n_features), err_msg=('An error has occurred the self.components_ matrix has ' ' not the proper shape.')) return self def transform(self, X, y=None): """Project the data by using matrix product with the random matrix Parameters ---------- X : numpy array or scipy.sparse of shape [n_samples, n_features] The input data to project into a smaller dimensional space. y : is not used: placeholder to allow for usage in a Pipeline. Returns ------- X_new : numpy array or scipy sparse of shape [n_samples, n_components] Projected array. """ X = check_array(X, accept_sparse=['csr', 'csc']) if self.components_ is None: raise NotFittedError('No random projection matrix had been fit.') if X.shape[1] != self.components_.shape[1]: raise ValueError( 'Impossible to perform projection:' 'X at fit stage had a different number of features. ' '(%s != %s)' % (X.shape[1], self.components_.shape[1])) X_new = safe_sparse_dot(X, self.components_.T, dense_output=self.dense_output) return X_new class GaussianRandomProjection(BaseRandomProjection): """Reduce dimensionality through Gaussian random projection The components of the random matrix are drawn from N(0, 1 / n_components). Read more in the :ref:`User Guide <gaussian_random_matrix>`. Parameters ---------- n_components : int or 'auto', optional (default = 'auto') Dimensionality of the target projection space. n_components can be automatically adjusted according to the number of samples in the dataset and the bound given by the Johnson-Lindenstrauss lemma. In that case the quality of the embedding is controlled by the ``eps`` parameter. It should be noted that Johnson-Lindenstrauss lemma can yield very conservative estimated of the required number of components as it makes no assumption on the structure of the dataset. eps : strictly positive float, optional (default=0.1) Parameter to control the quality of the embedding according to the Johnson-Lindenstrauss lemma when n_components is set to 'auto'. Smaller values lead to better embedding and higher number of dimensions (n_components) in the target projection space. random_state : integer, RandomState instance or None (default=None) Control the pseudo random number generator used to generate the matrix at fit time. Attributes ---------- n_component_ : int Concrete number of components computed when n_components="auto". components_ : numpy array of shape [n_components, n_features] Random matrix used for the projection. See Also -------- SparseRandomProjection """ def __init__(self, n_components='auto', eps=0.1, random_state=None): super(GaussianRandomProjection, self).__init__( n_components=n_components, eps=eps, dense_output=True, random_state=random_state) def _make_random_matrix(self, n_components, n_features): """ Generate the random projection matrix Parameters ---------- n_components : int, Dimensionality of the target projection space. n_features : int, Dimensionality of the original source space. Returns ------- components : numpy array or CSR matrix [n_components, n_features] The generated random matrix. """ random_state = check_random_state(self.random_state) return gaussian_random_matrix(n_components, n_features, random_state=random_state) class SparseRandomProjection(BaseRandomProjection): """Reduce dimensionality through sparse random projection Sparse random matrix is an alternative to dense random projection matrix that guarantees similar embedding quality while being much more memory efficient and allowing faster computation of the projected data. If we note `s = 1 / density` the components of the random matrix are drawn from: - -sqrt(s) / sqrt(n_components) with probability 1 / 2s - 0 with probability 1 - 1 / s - +sqrt(s) / sqrt(n_components) with probability 1 / 2s Read more in the :ref:`User Guide <sparse_random_matrix>`. Parameters ---------- n_components : int or 'auto', optional (default = 'auto') Dimensionality of the target projection space. n_components can be automatically adjusted according to the number of samples in the dataset and the bound given by the Johnson-Lindenstrauss lemma. In that case the quality of the embedding is controlled by the ``eps`` parameter. It should be noted that Johnson-Lindenstrauss lemma can yield very conservative estimated of the required number of components as it makes no assumption on the structure of the dataset. density : float in range ]0, 1], optional (default='auto') Ratio of non-zero component in the random projection matrix. If density = 'auto', the value is set to the minimum density as recommended by Ping Li et al.: 1 / sqrt(n_features). Use density = 1 / 3.0 if you want to reproduce the results from Achlioptas, 2001. eps : strictly positive float, optional, (default=0.1) Parameter to control the quality of the embedding according to the Johnson-Lindenstrauss lemma when n_components is set to 'auto'. Smaller values lead to better embedding and higher number of dimensions (n_components) in the target projection space. dense_output : boolean, optional (default=False) If True, ensure that the output of the random projection is a dense numpy array even if the input and random projection matrix are both sparse. In practice, if the number of components is small the number of zero components in the projected data will be very small and it will be more CPU and memory efficient to use a dense representation. If False, the projected data uses a sparse representation if the input is sparse. random_state : integer, RandomState instance or None (default=None) Control the pseudo random number generator used to generate the matrix at fit time. Attributes ---------- n_component_ : int Concrete number of components computed when n_components="auto". components_ : CSR matrix with shape [n_components, n_features] Random matrix used for the projection. density_ : float in range 0.0 - 1.0 Concrete density computed from when density = "auto". See Also -------- GaussianRandomProjection References ---------- .. [1] Ping Li, T. Hastie and K. W. Church, 2006, "Very Sparse Random Projections". http://web.stanford.edu/~hastie/Papers/Ping/KDD06_rp.pdf .. [2] D. Achlioptas, 2001, "Database-friendly random projections", https://users.soe.ucsc.edu/~optas/papers/jl.pdf """ def __init__(self, n_components='auto', density='auto', eps=0.1, dense_output=False, random_state=None): super(SparseRandomProjection, self).__init__( n_components=n_components, eps=eps, dense_output=dense_output, random_state=random_state) self.density = density self.density_ = None def _make_random_matrix(self, n_components, n_features): """ Generate the random projection matrix Parameters ---------- n_components : int, Dimensionality of the target projection space. n_features : int, Dimensionality of the original source space. Returns ------- components : numpy array or CSR matrix [n_components, n_features] The generated random matrix. """ random_state = check_random_state(self.random_state) self.density_ = _check_density(self.density, n_features) return sparse_random_matrix(n_components, n_features, density=self.density_, random_state=random_state)
RPGOne/scikit-learn
sklearn/random_projection.py
Python
bsd-3-clause
22,132
[ "Gaussian" ]
0e705e12538608979caf606d67fffb7bbbb5d865831c6310c5f4869ebd28d633
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007-2008 Brian G. Matherly # Copyright (C) 2008 Stephane Charette <stephanecharette@gmail.com> # Contribution 2009 by Bob Ham <rah@bash.sh> # Copyright (C) 2010 Jakim Friant # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your option) any later version. # # This program is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA # # $Id$ """ Generate an hourglass graph using the GraphViz generator. /Reports/GraphViz/Hourglass Graph """ #------------------------------------------------------------------------ # # python modules # #------------------------------------------------------------------------ from gramps.gen.const import GRAMPS_LOCALE as glocale _ = glocale.get_translation().gettext #------------------------------------------------------------------------ # # GRAMPS modules # #------------------------------------------------------------------------ from gramps.gen.display.name import displayer as name_displayer from gramps.gen.errors import ReportError from gramps.gen.plug.menu import (PersonOption, BooleanOption, NumberOption, EnumeratedListOption) from gramps.gen.plug.report import Report from gramps.gen.plug.report import utils as ReportUtils from gramps.gen.plug.report import MenuReportOptions from gramps.gen.datehandler import get_date from gramps.gen.utils.db import get_birth_or_fallback, get_death_or_fallback #------------------------------------------------------------------------ # # Constant options items # #------------------------------------------------------------------------ _COLORS = [ { 'name' : _("B&W outline"), 'value' : "outline" }, { 'name' : _("Colored outline"), 'value' : "colored" }, { 'name' : _("Color fill"), 'value' : "filled" }] #------------------------------------------------------------------------ # # HourGlassReport # #------------------------------------------------------------------------ class HourGlassReport(Report): """ An hourglass report displays ancestors and descendants of a center person. """ def __init__(self, database, options, user): """ Create HourGlass object that produces the report. """ Report.__init__(self, database, options, user) # Would be nice to get rid of these 2 hard-coded arrays of colours # and instead allow the user to pick-and-choose whatever colour they # want. When/if this is done, take a look at the colour-selection # widget and code used in the FamilyLines graph. colored = { 'male': 'dodgerblue4', 'female': 'deeppink', 'unknown': 'black', 'family': 'darkgreen' } filled = { 'male': 'lightblue', 'female': 'lightpink', 'unknown': 'lightgray', 'family': 'lightyellow' } self.__db = database self.__used_people = [] menu = options.menu self.max_descend = menu.get_option_by_name('maxdescend').get_value() self.max_ascend = menu.get_option_by_name('maxascend').get_value() pid = menu.get_option_by_name('pid').get_value() self.center_person = database.get_person_from_gramps_id(pid) if (self.center_person == None) : raise ReportError(_("Person %s is not in the Database") % pid ) self.colorize = menu.get_option_by_name('color').get_value() if self.colorize == 'colored': self.colors = colored elif self.colorize == 'filled': self.colors = filled self.roundcorners = menu.get_option_by_name('roundcorners').get_value() def write_report(self): """ Generate the report. """ self.add_person(self.center_person) self.traverse_up(self.center_person, 1) self.traverse_down(self.center_person, 1) def traverse_down(self, person, gen): """ Recursively find the descendants of the given person. """ if gen > self.max_descend: return for family_handle in person.get_family_handle_list(): family = self.__db.get_family_from_handle(family_handle) self.add_family(family) self.doc.add_link( person.get_gramps_id(), family.get_gramps_id() ) for child_ref in family.get_child_ref_list(): child_handle = child_ref.get_reference_handle() if child_handle not in self.__used_people: # Avoid going down paths twice when descendant cousins marry self.__used_people.append(child_handle) child = self.__db.get_person_from_handle(child_handle) self.add_person(child) self.doc.add_link(family.get_gramps_id(), child.get_gramps_id() ) self.traverse_down(child, gen+1) def traverse_up(self, person, gen): """ Recursively find the ancestors of the given person. """ if gen > self.max_ascend: return family_handle = person.get_main_parents_family_handle() if family_handle: family = self.__db.get_family_from_handle(family_handle) family_id = family.get_gramps_id() self.add_family(family) self.doc.add_link( family_id, person.get_gramps_id(), head='none', tail='normal' ) father_handle = family.get_father_handle() if father_handle and father_handle not in self.__used_people: self.__used_people.append(father_handle) father = self.__db.get_person_from_handle(father_handle) self.add_person(father) self.doc.add_link( father.get_gramps_id(), family_id, head='none', tail='normal' ) self.traverse_up(father, gen+1) mother_handle = family.get_mother_handle() if mother_handle and mother_handle not in self.__used_people: self.__used_people.append(mother_handle) mother = self.__db.get_person_from_handle( mother_handle ) self.add_person( mother ) self.doc.add_link( mother.get_gramps_id(), family_id, head='none', tail='normal' ) self.traverse_up( mother, gen+1 ) def add_person(self, person): """ Add a person to the Graph. The node id will be the person's gramps id. """ p_id = person.get_gramps_id() name = name_displayer.display_formal(person) birth_evt = get_birth_or_fallback(self.__db, person) if birth_evt: birth = get_date(birth_evt) else: birth = "" death_evt = get_death_or_fallback(self.__db, person) if death_evt: death = get_date(death_evt) else: death = "" label = "%s \\n(%s - %s)" % (name, birth, death) (shape, style, color, fill) = self.get_gender_style(person) self.doc.add_node(p_id, label, shape, color, style, fill) def add_family(self, family): """ Add a family to the Graph. The node id will be the family's gramps id. """ family_id = family.get_gramps_id() label = "" marriage = ReportUtils.find_marriage(self.__db, family) if marriage: label = get_date(marriage) color = "" fill = "" style = "solid" if self.colorize == 'colored': color = self.colors['family'] elif self.colorize == 'filled': fill = self.colors['family'] style = "filled" self.doc.add_node(family_id, label, "ellipse", color, style, fill) def get_gender_style(self, person): "return gender specific person style" gender = person.get_gender() shape = "box" style = "solid" color = "" fill = "" if gender == person.FEMALE and self.roundcorners: style = "rounded" elif gender == person.UNKNOWN: shape = "hexagon" if self.colorize == 'colored': if gender == person.MALE: color = self.colors['male'] elif gender == person.FEMALE: color = self.colors['female'] else: color = self.colors['unknown'] elif self.colorize == 'filled': style += ",filled" if gender == person.MALE: fill = self.colors['male'] elif gender == person.FEMALE: fill = self.colors['female'] else: fill = self.colors['unknown'] return(shape, style, color, fill) #------------------------------------------------------------------------ # # HourGlassOptions # #------------------------------------------------------------------------ class HourGlassOptions(MenuReportOptions): """ Defines options for the HourGlass report. """ def __init__(self, name, dbase): MenuReportOptions.__init__(self, name, dbase) def add_menu_options(self, menu): """ Create all the menu options for this report. """ category_name = _("Options") pid = PersonOption(_("Center Person")) pid.set_help(_("The Center person for the graph")) menu.add_option(category_name, "pid", pid) max_gen = NumberOption(_('Max Descendant Generations'), 10, 1, 15) max_gen.set_help(_("The number of generations of descendants to " "include in the graph")) menu.add_option(category_name, "maxdescend", max_gen) max_gen = NumberOption(_('Max Ancestor Generations'), 10, 1, 15) max_gen.set_help(_("The number of generations of ancestors to " "include in the graph")) menu.add_option(category_name, "maxascend", max_gen) ################################ category_name = _("Graph Style") ################################ color = EnumeratedListOption(_("Graph coloring"), "filled") for i in range( 0, len(_COLORS) ): color.add_item(_COLORS[i]["value"], _COLORS[i]["name"]) color.set_help(_("Males will be shown with blue, females " "with red. If the sex of an individual " "is unknown it will be shown with gray.")) menu.add_option(category_name, "color", color) roundedcorners = BooleanOption( # see bug report #2180 _("Use rounded corners"), False) roundedcorners.set_help( _("Use rounded corners to differentiate " "between women and men.")) menu.add_option(category_name, "roundcorners", roundedcorners)
Forage/Gramps
gramps/plugins/graph/gvhourglass.py
Python
gpl-2.0
11,649
[ "Brian" ]
55caf4ff1d6d000525a629abfd5c55aed8589ebaca11a6b65156259b862da9b7
# Copyright Yair Benita Y.Benita@pharm.uu.nl # Biopython (http://biopython.org) license applies """Codon adaption indxes, including Sharp and Li (1987) E. coli index. Currently this module only defines a single codon adaption index from Sharp & Li, Nucleic Acids Res. 1987. """ __docformat__ = "restructuredtext en" SharpEcoliIndex = { 'GCA': 0.586, 'GCC': 0.122, 'GCG': 0.424, 'GCT': 1, 'AGA': 0.004, 'AGG': 0.002, 'CGA': 0.004, 'CGC': 0.356, 'CGG': 0.004, 'CGT': 1, 'AAC': 1, 'AAT': 0.051, 'GAC': 1, 'GAT': 0.434, 'TGC': 1, 'TGT': 0.5, 'CAA': 0.124, 'CAG': 1, 'GAA': 1, 'GAG': 0.259, 'GGA': 0.01, 'GGC': 0.724, 'GGG': 0.019, 'GGT': 1, 'CAC': 1, 'CAT': 0.291, 'ATA': 0.003, 'ATC': 1, 'ATT': 0.185, 'CTA': 0.007, 'CTC': 0.037, 'CTG': 1, 'CTT': 0.042, 'TTA': 0.02, 'TTG': 0.02, 'AAA': 1, 'AAG': 0.253, 'ATG': 1, 'TTC': 1, 'TTT': 0.296, 'CCA': 0.135, 'CCC': 0.012, 'CCG': 1, 'CCT': 0.07, 'AGC': 0.41, 'AGT': 0.085, 'TCA': 0.077, 'TCC': 0.744, 'TCG': 0.017, 'TCT': 1, 'ACA': 0.076, 'ACC': 1, 'ACG': 0.099, 'ACT': 0.965, 'TGG': 1, 'TAC': 1, 'TAT': 0.239, 'GTA': 0.495, 'GTC': 0.066, 'GTG': 0.221, 'GTT': 1}
Ambuj-UF/ConCat-1.0
src/Utils/Bio/SeqUtils/CodonUsageIndices.py
Python
gpl-2.0
1,108
[ "Biopython" ]
38e887c3b87bfbf70451b5690dc5a925804b275bffd16f5e2c87a21ca91557cc
#!/usr/bin/env python # -*- coding: utf-8 -*- # this module is responsible for loading the data by calling the necessary information from **loaddata** module from datamodel directory and then calling necessary algorithms to predict the score # note that this will act as intermediary file for giving result by interacting with all other files # library packages import pickle # third party packages import numpy as np # local files from ..datamodel import loaddata, nitems, nusers from . import cf, ann, convert from . import hyperparam_loc from . import RBM_user class Predict: """ It is responsible for predicting scores for an user to an item by using different techniques. Not matter what technique you use you will load the data first so it makes sense to load the data in __init__ method. Different techniques use different algorithms to calculate the prediction, so each method have its own separate implementation. """ def __init__(self): self.data = loaddata.Data() self.data.load_data() @staticmethod def scale(l): l = l[0] no, val = 1, l[0] for i, x in enumerate(l): if x > val: no = i + 1 val = x return no @staticmethod def f(rating): """ converts the rating to a format for a five output neuron :param rating: its a rating value given to a movie item :type rating: int """ l = [0, 0, 0, 0, 0] l[rating - 1] = 1 return l class PredictNeuralNetwork(Predict): def __init__(self): Predict.__init__(self) self.rating_matrix = self.data.get_rating_matrix_with_nan() self.correlation_matrix = cf.Correlation().pearson(self.rating_matrix) def create_training_examples_with_item(self, ratings): """ :param ratings: list of tuples with item_id at 0th index and rating at 1th index :type ratings: list :return: list of tuples of training examples and each training example contains item feature and rating given to that item :rtype: list """ feature = [] for item_id, rating in ratings: feature.append((np.array(list(self.data.get_item_by_id(item_id).get_genres().values())), np.array(self.f(rating[0])))) return feature def create_training_examples_with_item_and_user_rating(self): """ """ raise NotImplementedError def training_and_test_for_an_user_with_item(self, user_id): """ This method roughly does the following: 1. find how many movies user_name_of(user_id) has rated 2. divide the number of ratings to 80% (for training) and 20% (for test) 3. create ndarray both form 80% and 20% of the information separately 4. train it 5. test it :param user_id: the id of the user for which you wanted to train and test :type user_id: int """ ratings_by_user_id = list(self.data.get_user_by_id(user_id).get_movie_rating().items()) # find how many movies user_name_of(user_id) has rated nratings_by_user_id = len(ratings_by_user_id) # divide the number of ratings to 80% (for training) and 20% (for test) nratings_for_train = int(nratings_by_user_id * .8) nratings_for_test = nratings_by_user_id - nratings_for_train ratings_for_train = ratings_by_user_id[:nratings_for_train] ratings_for_test = ratings_by_user_id[nratings_for_train:] # create ndarray both from 80% and 20% of the information separately train = self.create_training_examples_with_item(ratings_for_train) test = self.create_training_examples_with_item(ratings_for_test) # train it NN = ann.Neural_Network() NN.backpropagation(train, 700, .05) #for feature, y in test: #print(convert.f_inverse_cap(list(NN.feedforward(feature)[0])), convert.f_inverse(list(y))) # test it whole = self.create_training_examples_with_item(list(map(lambda x: (x, [1, None]), range(1, nitems + 1)))) ans = [] for feature, y in whole: ans.append(convert.f_inverse_cap(list(NN.feedforward(feature)[0]))) return ans def training_and_test_for_an_user_with_item_and_user_rating(self, user_id): """ This method roughly does the following: 1. sort neighbors according to the similarity 2. find how many movies user_name_of(user_id) has rated 3. divide the number of ratings to 80% (for training) and 20% (for test) 4. create ndarray both form 80% and 20% of the information separately 5. train it 6. test it :param user_id: the id of the user for which you wanted to train and test :type user_id: int """ raise NotImplementedError class PredictRBM(Predict): def __init__(self): Predict.__init__(self) self.rating_matrix = self.data.get_rating_matrix_with_zero() # create the RBM self.rbm = RBM_user.RBM_User(self.rating_matrix.shape[1] - 1, 500) def load_hyperparameters(self): """ loads the hyperparameters from the file which has been saved by training the RBM model """ self.hyperparam = pickle.load(open(hyperparam_loc, 'rb')) self.rbm.bvisible = self.hyperparam[0] self.rbm.weights = self.hyperparam[1] self.rbm.bhidden = self.hyperparam[2] def train_rbm(self): """ Train the rbm by contrastive divergence """ t = RBM_user.Trainer(self.data, self.rating_matrix, self.rbm) t.train(1000, 1, 0.05) def predict(self, user_id, movie_id = None): """ Predict how much rating the user will give :param user_id: id of a particular user :type user_id: int :param movie_id: id of a particular movie :type movie_id: int """ user_vector = self.rating_matrix[user_id][1:] h = self.rbm.positive_phase(user_vector) v, h = self.rbm.negative_phase(h) if movie_id != None: return v[0][movie_id] else: return v[0]
sagnik17/Movie-Recommendation-System
mrs/recsys/predict.py
Python
gpl-3.0
6,251
[ "NEURON" ]
b3fbe04959f35e0a0cbf261032052449cc5b650a3143d1521d67ef7e1fc0824b
import os import json import Airfoil import SplineRefine import TrailingEdge import Meshing import Connect from Settings import DATAPATH import logging logger = logging.getLogger(__name__) class Batch: def __init__(self, app, batch_controlfile, __version__): self.app = app self.app.mainwindow = self self.load_batch_control(batch_controlfile) stars = 50 message_stars = stars*'*' print('\n' + message_stars) message = '{:*^{stars}}'.format(' PYAERO batch meshing ', stars=stars) print(message) message = '{:*^{stars}}'.format(' v' + __version__ + ' ', stars=stars) print(message) logger.info(message) print(message_stars + '\n') def load_batch_control(self, batch_controlfile): with open(batch_controlfile, 'r') as f: self.batch_control = json.load(f) def run_batch(self): # loop all airfoils airfoil_path = self.batch_control['Airfoils']['path'] mesh_path = self.batch_control['Output formats']['path'] output_formats = self.batch_control['Output formats']['formats'] print('Airfoil path is', airfoil_path) print('Mesh output path is', mesh_path, '\n') airfoils = self.batch_control['Airfoils']['names'] trailing_edges = self.batch_control['Airfoils']['trailing_edges'] message = 'Airfoils to mesh:' print(message) logger.info(message) for airfoil in airfoils: message = f' --> {airfoil}' print(message) logger.info(message) print('\n') for i, airfoil in enumerate(airfoils): message = f'Starting batch meshing for airfoil {airfoil}' print(message) logger.info(message) # load airfoil basename = os.path.splitext(airfoil)[0] self.airfoil = Airfoil.Airfoil(basename) self.airfoil.readContour(os.path.join(airfoil_path, airfoil), '#') # spline and refine refinement = self.batch_control['Airfoil contour refinement'] refine = SplineRefine.SplineRefine() refine.doSplineRefine(tolerance=refinement['Refinement tolerance'], points=refinement['Number of points on spline'], ref_te=refinement['Refine trailing edge old'], ref_te_n=refinement['Refine trailing edge new'], ref_te_ratio=refinement['Refine trailing edge ratio']) # trailing edge if trailing_edges[i] == 'yes': self.app.mainwindow.airfoil.has_TE = True te = self.batch_control['Airfoil trailing edge'] trailing = TrailingEdge.TrailingEdge() trailing.trailingEdge(blend=te['Upper side blending length'] / 100.0, ex=te['Upper blending polynomial exponent'], thickness=te['Trailing edge thickness relative to chord'], side='upper') trailing.trailingEdge(blend=te['Lower side blending length'] / 100.0, ex=te['Lower blending polynomial exponent'], thickness=te['Trailing edge thickness relative to chord'], side='lower') # make mesh wind_tunnel = Meshing.Windtunnel() contour = self.app.mainwindow.airfoil.spline_data[0] # mesh around airfoil acm = self.batch_control['Airfoil contour mesh'] wind_tunnel.AirfoilMesh(name='block_airfoil', contour=contour, divisions=acm['Divisions normal to airfoil'], ratio=acm['Cell growth rate'], thickness=acm['1st cell layer thickness']) # mesh at trailing edge tem = self.batch_control['Airfoil trailing edge mesh'] wind_tunnel.TrailingEdgeMesh(name='block_TE', te_divisions=tem['Divisions at trailing edge'], thickness=tem['1st cell layer thickness'], divisions=tem['Divisions downstream'], ratio=tem['Cell growth rate']) # mesh tunnel airfoil tam = self.batch_control['Windtunnel mesh airfoil'] wind_tunnel.TunnelMesh(name='block_tunnel', tunnel_height=tam['Windtunnel height'], divisions_height=tam['Divisions of tunnel height'], ratio_height=tam['Cell thickness ratio'], dist=tam['Distribution biasing']) # mesh tunnel wake twm = self.batch_control['Windtunnel mesh wake'] wind_tunnel.TunnelMeshWake(name='block_tunnel_wake', tunnel_wake=twm['Windtunnel wake'], divisions=twm['Divisions in the wake'], ratio=twm['Cell thickness ratio'], spread=twm['Equalize vertical wake line at'] / 100.0) # connect mesh blocks connect = Connect.Connect(None) vertices, connectivity, _ = \ connect.connectAllBlocks(wind_tunnel.blocks) # add mesh to Wind-tunnel instance wind_tunnel.mesh = vertices, connectivity # generate cell to edge connectivity from mesh wind_tunnel.makeLCE() # generate cell to edge connectivity from mesh wind_tunnel.makeLCE() # generate boundaries from mesh connectivity wind_tunnel.makeBoundaries() message = f'Finished batch meshing for airfoil {airfoil}' print(message) logger.info(message) # export mesh message = f'Starting mesh export for airfoil {airfoil}' print(message) logger.info(message) for output_format in output_formats: extension = {'FLMA': '.flma', 'SU2': '.su2', 'GMSH': '.msh', 'VTK': '.vtk', 'CGNS': '.cgns', 'ABAQUS': '.inp'} mesh_name = os.path.join(mesh_path, basename + extension[output_format]) getattr(Meshing.BlockMesh, 'write'+output_format)(wind_tunnel, name=mesh_name) message = f'Finished mesh export for airfoil {airfoil} to {mesh_name}' print(message) logger.info(message)
chiefenne/PyAero
src/BatchMode.py
Python
mit
7,028
[ "VTK" ]
00cd3626f7056237ef694f3876ceebc92831ee2797c3e384333dc70299e3370d
__author__ = 'Mark Dickinson' __source__ = 'http://code.activestate.com/recipes/578507-strongly-connected-components-of-a-directed-graph/' def strongly_connected_components_path(vertices, edges): """ Find the strongly connected components of a directed graph. Uses a recursive linear-time algorithm described by Gabow [1]_ to find all strongly connected components of a directed graph. Parameters ---------- vertices : iterable A sequence or other iterable of vertices. Each vertex should be hashable. edges : mapping Dictionary (or mapping) that maps each vertex v to an iterable of the vertices w that are linked to v by a directed edge (v, w). Returns ------- components : iterator An iterator that yields sets of vertices. Each set produced gives the vertices of one strongly connected component. Raises ------ RuntimeError If the graph is deep enough that the algorithm exceeds Python's recursion limit. Notes ----- The algorithm has running time proportional to the total number of vertices and edges. It's practical to use this algorithm on graphs with hundreds of thousands of vertices and edges. The algorithm is recursive. Deep graphs may cause Python to exceed its recursion limit. `vertices` will be iterated over exactly once, and `edges[v]` will be iterated over exactly once for each vertex `v`. `edges[v]` is permitted to specify the same vertex multiple times, and it's permissible for `edges[v]` to include `v` itself. (In graph-theoretic terms, loops and multiple edges are permitted.) References ---------- .. [1] Harold N. Gabow, "Path-based depth-first search for strong and biconnected components," Inf. Process. Lett. 74 (2000) 107--114. .. [2] Robert E. Tarjan, "Depth-first search and linear graph algorithms," SIAM J.Comput. 1 (2) (1972) 146--160. Examples -------- Example from Gabow's paper [1]_. >>> vertices = [1, 2, 3, 4, 5, 6] >>> edges = {1: [2, 3], 2: [3, 4], 3: [], 4: [3, 5], 5: [2, 6], 6: [3, 4]} >>> for scc in strongly_connected_components_path(vertices, edges): ... print(scc) ... set([3]) set([2, 4, 5, 6]) set([1]) Example from Tarjan's paper [2]_. >>> vertices = [1, 2, 3, 4, 5, 6, 7, 8] >>> edges = {1: [2], 2: [3, 8], 3: [4, 7], 4: [5], ... 5: [3, 6], 6: [], 7: [4, 6], 8: [1, 7]} >>> for scc in strongly_connected_components_path(vertices, edges): ... print(scc) ... set([6]) set([3, 4, 5, 7]) set([8, 1, 2]) """ identified = set() stack = [] index = {} boundaries = [] def dfs(v): index[v] = len(stack) stack.append(v) boundaries.append(index[v]) for w in edges[v]: if w not in index: # For Python >= 3.3, replace with "yield from dfs(w)" for scc in dfs(w): yield scc elif w not in identified: while index[w] < boundaries[-1]: boundaries.pop() if boundaries[-1] == index[v]: boundaries.pop() scc = set(stack[index[v]:]) del stack[index[v]:] identified.update(scc) yield scc for v in vertices: if v not in index: # For Python >= 3.3, replace with "yield from dfs(v)" for scc in dfs(v): yield scc def strongly_connected_components_tree(vertices, edges): """ Find the strongly connected components of a directed graph. Uses a recursive linear-time algorithm described by Tarjan [2]_ to find all strongly connected components of a directed graph. Parameters ---------- vertices : iterable A sequence or other iterable of vertices. Each vertex should be hashable. edges : mapping Dictionary (or mapping) that maps each vertex v to an iterable of the vertices w that are linked to v by a directed edge (v, w). Returns ------- components : iterator An iterator that yields sets of vertices. Each set produced gives the vertices of one strongly connected component. Raises ------ RuntimeError If the graph is deep enough that the algorithm exceeds Python's recursion limit. Notes ----- The algorithm has running time proportional to the total number of vertices and edges. It's practical to use this algorithm on graphs with hundreds of thousands of vertices and edges. The algorithm is recursive. Deep graphs may cause Python to exceed its recursion limit. `vertices` will be iterated over exactly once, and `edges[v]` will be iterated over exactly once for each vertex `v`. `edges[v]` is permitted to specify the same vertex multiple times, and it's permissible for `edges[v]` to include `v` itself. (In graph-theoretic terms, loops and multiple edges are permitted.) References ---------- .. [1] Harold N. Gabow, "Path-based depth-first search for strong and biconnected components," Inf. Process. Lett. 74 (2000) 107--114. .. [2] Robert E. Tarjan, "Depth-first search and linear graph algorithms," SIAM J.Comput. 1 (2) (1972) 146--160. Examples -------- Example from Gabow's paper [1]_. >>> vertices = [1, 2, 3, 4, 5, 6] >>> edges = {1: [2, 3], 2: [3, 4], 3: [], 4: [3, 5], 5: [2, 6], 6: [3, 4]} >>> for scc in strongly_connected_components_tree(vertices, edges): ... print(scc) ... set([3]) set([2, 4, 5, 6]) set([1]) Example from Tarjan's paper [2]_. >>> vertices = [1, 2, 3, 4, 5, 6, 7, 8] >>> edges = {1: [2], 2: [3, 8], 3: [4, 7], 4: [5], ... 5: [3, 6], 6: [], 7: [4, 6], 8: [1, 7]} >>> for scc in strongly_connected_components_tree(vertices, edges): ... print(scc) ... set([6]) set([3, 4, 5, 7]) set([8, 1, 2]) """ identified = set() stack = [] index = {} lowlink = {} def dfs(v): index[v] = len(stack) stack.append(v) lowlink[v] = index[v] for w in edges[v]: if w not in index: # For Python >= 3.3, replace with "yield from dfs(w)" for scc in dfs(w): yield scc lowlink[v] = min(lowlink[v], lowlink[w]) elif w not in identified: lowlink[v] = min(lowlink[v], lowlink[w]) if lowlink[v] == index[v]: scc = set(stack[index[v]:]) del stack[index[v]:] identified.update(scc) yield scc for v in vertices: if v not in index: # For Python >= 3.3, replace with "yield from dfs(v)" for scc in dfs(v): yield scc def strongly_connected_components_iterative(vertices, edges): """ This is a non-recursive version of strongly_connected_components_path. See the docstring of that function for more details. Examples -------- Example from Gabow's paper [1]_. >>> vertices = [1, 2, 3, 4, 5, 6] >>> edges = {1: [2, 3], 2: [3, 4], 3: [], 4: [3, 5], 5: [2, 6], 6: [3, 4]} >>> for scc in strongly_connected_components_iterative(vertices, edges): ... print(scc) ... set([3]) set([2, 4, 5, 6]) set([1]) Example from Tarjan's paper [2]_. >>> vertices = [1, 2, 3, 4, 5, 6, 7, 8] >>> edges = {1: [2], 2: [3, 8], 3: [4, 7], 4: [5], ... 5: [3, 6], 6: [], 7: [4, 6], 8: [1, 7]} >>> for scc in strongly_connected_components_iterative(vertices, edges): ... print(scc) ... set([6]) set([3, 4, 5, 7]) set([8, 1, 2]) """ identified = set() stack = [] index = {} boundaries = [] for v in vertices: if v not in index: to_do = [('VISIT', v)] while to_do: operation_type, v = to_do.pop() if operation_type == 'VISIT': index[v] = len(stack) stack.append(v) boundaries.append(index[v]) to_do.append(('POSTVISIT', v)) # We reverse to keep the search order identical to that of # the recursive code; the reversal is not necessary for # correctness, and can be omitted. to_do.extend( reversed([('VISITEDGE', w) for w in edges[v]])) elif operation_type == 'VISITEDGE': if v not in index: to_do.append(('VISIT', v)) elif v not in identified: while index[v] < boundaries[-1]: boundaries.pop() else: # operation_type == 'POSTVISIT' if boundaries[-1] == index[v]: boundaries.pop() scc = set(stack[index[v]:]) del stack[index[v]:] identified.update(scc) yield scc
yipeipei/peppy
graph/scc.py
Python
mit
9,280
[ "VisIt" ]
adf686c199f5a303045acefad94ab1644164e10160505ec9abb9a3e55cb29828
"""Set of plotting aids for Holoviews.""" from __future__ import division import holoviews as hv import numpy as np import scipy import matplotlib.pyplot as plt # get colors colors = hv.core.options.Cycle.default_cycles['default_colors'] Ncolors = len(colors) def plot_vector(x, lim=1): """Plot the vector x. Parameters ---------- x : list or array 2D array with x and y coordinate lim : float Plotting limit """ xs = [0, x[0]] ys = [0, x[1]] path = hv.Curve(zip(xs, ys), extents=(-lim, -lim, lim, lim)) point = hv.Scatter(zip(xs[1:], ys[1:])) return path*point def plot_vector_3D(x, lim=1, color='black'): """Plot the 3D vector x. Parameters ---------- x : list or array 2D array with x and y coordinate lim : float Plotting limit color : whatever plotting tool accepts Color of the vector """ xs = [0, x[0]] ys = [0, x[1]] zs = [0, x[2]] path = hv.Path3D(zip(xs, ys, zs), extents=(-lim, -lim, -lim, lim, lim, lim)).opts(color=color) point = hv.Scatter3D(zip(xs[1:], ys[1:], zs[1:])).opts(size=3, color=color) return path*point def plot3d(traj, ntraj=1, labels=['x', 'y', 'z'], ax=None): """Plot the 3d trajectory in traj in 3D. Parameters ---------- traj : array 3D array for plotting, should be datapoints*dimensions. ntraj : int, optional In how many trajectories to split up the data (can be useful to see the time dependence of the trajectory) labels : list of strings, optional What labels to put on the axes. By default is ['x', 'y', 'z'] ax : matplotlib axis object, optional If None, will make a new axis. Example ------- To plot three 3d subplots, do something like the following: fig = plt.figure() ax = fig.add_subplot(131, projection='3d') plot3d(delayed[0,::1,:], labels=['x(t)','x(t-tau)','x(t-2tau)'], ax=ax) ax = fig.add_subplot(132, projection='3d') plot3d(delayed[1,::1,:], labels=['y(t)','y(t-tau)','y(t-2tau)'], ax=ax) ax = fig.add_subplot(133, projection='3d') plot3d(delayed[2,::1,:], labels=['z(t)','z(t-tau)','z(t-2tau)'], ax=ax) To have interactable 3d plots in Jupyter, use %matplotlib nbagg """ # define 3d plot if ax is None: fig = plt.figure() ax = fig.add_subplot(111, projection='3d') # if necessary, split up data, then plot it data_split = np.array_split(traj, ntraj) for n in range(ntraj): xs = data_split[n][:, 0] ys = data_split[n][:, 1] zs = data_split[n][:, 2] ax.plot3D(xs, ys, zs, alpha=1) # set labels ax.set_xlabel(labels[0]) ax.set_ylabel(labels[1]) ax.set_zlabel(labels[2]) # ax.set_title('[x,y,z] = ' +str(var*180/pi)) plt.show() def whisk_compare(Points, labels=None, ref=0, vdims=['score'], group='Bars', tests=None): """Show datapoints as a whisker plot for averages of all distributions. Show the significance between ref and all other datapoints. Parameters ---------- Points : list list of arrays of points to be compared. As [array1, array2, ...]. labels : list of strings Labels of the distributions, list of form ['points1','points2'] ref : int, optional Which distribution to use as a reference to test significance of other distributions against. vdims : Holoviews dimension object, optional Should be of form ['label']. Gives the y-axis label. group : string, optional The group that the Bars object should belong to tests : list of string, optional TO BE IMPLEMENTED Which tests to use, in order of distributions (skipping the reference distribution). Should be a list of strings, with the following options: 'ttest_rel' : paired t-test 'ttest_ind' : independent t-test The list should be of length len(Points)-1 Default test is pairwise test. Returns ------- Holoviews Overlay Whisker plot """ ndists = len(Points) if labels is None: labels = ['points'+str(i) for i in range(ndists)] # make box plots groups = [] for i in range(ndists): npoints = len(Points[i]) groups += [labels[i] for j in range(npoints)] allpoints = np.concatenate(Points) whisk = hv.BoxWhisker((groups, allpoints), kdims=[' '], vdims=vdims) # calculate and plot significance sig_plot = hv.Overlay() rnge = np.arange(ndists, dtype=int) rnge = rnge[rnge != ref] count = 0 for i in rnge: points1 = Points[ref] points2 = Points[i] sign = scipy.stats.wilcoxon(points1, points2)[1] fontsize = 20 offset = 0.02 if sign < 0.0005: sig_text = '***' fontsize = 20 offset = 0.03 elif sign < 0.005: sig_text = '**' elif sign < 0.05: sig_text = '*' else: fontsize = 15 offset = 0.03 sig_text = 'n.s.' # plot significance maxpoint = max(allpoints) xref = ref+1 xcom = 1+i y = maxpoint+.1*(ndists-count-3) sig_plot *= hv.Curve(zip([xref, xcom], [y, y]), extents=(0, -maxpoint/3, 5, maxpoint+0.2), group='significance')(style={'color': 'k'}) sig_plot *= hv.Curve(zip([xref, xref], [y, y-.02]), group='significance')(style={'color': 'k'}) sig_plot *= hv.Curve(zip([xcom, xcom], [y, y-.02]), group='significance')(style={'color': 'k'}) xloc = (ref+2+i)/2 yloc = maxpoint+offset+.1*(ndists-count-3) text = hv.Text(xloc, yloc, sig_text, fontsize=fontsize) sig_plot *= text count += 1 return whisk*sig_plot def bar_compare(Points, labels=None, ref=0, vdims=['score'], group='Bars', tests=None): """Show datapoints and bars for averages of all distributions in Points. Show the significance between ref and all other datapoints. Parameters ---------- Points : list list of arrays of points to be compared. As [array1, array2, ...]. labels : list of strings Labels of the distributions, list of form ['points1','points2'] ref : int, optional Which distribution to use as a reference to test significance of other distributions against. vdims : Holoviews dimension object, optional Should be of form ['label']. Gives the y-axis label. group : string, optional The group that the Bars object should belong to tests : list of string, optional TO BE IMPLEMENTED Which tests to use, in order of distributions (skipping the reference distribution). Should be a list of strings, with the following options: 'ttest_rel' : paired t-test 'ttest_ind' : independent t-test The list should be of length len(Points)-1 Default test is pairwise test. Returns ------- Holoviews Overlay Bars with points overlay """ ndists = len(Points) if labels is None: labels = ['points'+str(i) for i in range(ndists)] # make bars data = [(labels[i], np.mean(Points[i])) for i in range(ndists)] bars = hv.Bars(data, kdims=[hv.Dimension(' ')], vdims=vdims) # make points points_plot = hv.Overlay() for i in range(ndists): y = Points[i] x = np.ones(len(y))*i+.5 points_plot *= hv.Scatter(zip(x, y)) # calculate and plot significance sig_plot = hv.Overlay() rnge = np.arange(ndists, dtype=int) rnge = rnge[rnge != ref] for i in rnge: points1 = Points[ref] points2 = Points[i] sign = scipy.stats.ttest_rel(points1, points2)[1] fontsize = 20 offset = 0.175 if sign < 0.0005: sig_text = 'p<0.0005' elif sign < 0.005: sig_text = '**' elif sign < 0.05: sig_text = '*' else: fontsize = 15 offset = 0.2 sig_text = 'n.s.' # plot significance maxpoint = max([max(points1), max(points2)]) sig_plot *= hv.Curve(zip([ref+0.5, .5+i], [maxpoint+0.15*(ref+0.5-i), maxpoint+0.15*(ref+0.5-i)]), extents=(0, 0, 2, 1), group='significance')(style={'color': 'k'}) sig_plot *= hv.Curve(zip([ref+0.5, ref+0.5], [maxpoint+0.15*(ref+0.5-i), maxpoint+0.15*(ref+0.5-i)-.05]), extents=(0, 0, 2, 1), group='significance')(style={'color': 'k'}) sig_plot *= hv.Curve(zip([.5+i, .5+i], [maxpoint+0.15*(ref+0.5-i), maxpoint+0.15*(ref+0.5-i)-.05]), extents=(0, 0, 2, 1), group='significance')(style={'color': 'k'}) xloc = (ref+1.5+i)/2 yloc = maxpoint+offset+.15*(ref-0.5-i) text = hv.Text(xloc, yloc, sig_text, fontsize=fontsize) sig_plot *= text return bars*points_plot*sig_plot def plotspikes(spiketimes, yoffset, dt, text_offset=None): """Plot the spikes in spiketimes. Also indicates if there are more than one spike within distance dt. Parameters ---------- spiketimes : array Array of spiketimes yoffset : array The y-offset for plotting spikes dt : float Distance dt at which spikes should be indicated as a group text_offset : array, optional If given (as [dx,dy]), this gives the offset of the text indicating the number of spikes, relative to the first spike in a series. If None, will set it to [-dt/2, 0] Returns ------- holoviews Scatter object Shows the spikes. Can be interfaced with as any normal Scatter object. """ # get groups of spikes small_diffs = np.diff(spiketimes) <= dt start_ends = np.diff(np.concatenate([[0], small_diffs, [0]])) starts = np.where(start_ends == 1)[0] ends = np.where(start_ends == -1)[0] numbers = ends-starts + 1 # number of spikes per start # plot spikes fig = hv.Scatter(zip(spiketimes, np.ones(len(spiketimes))*yoffset)) # plot spike numbers if text_offset is None: dx, dy = [-dt/2, 0] else: dx, dy = text_offset for i, start in enumerate(starts): fig *= hv.Text(spiketimes[start]+dx, yoffset+dy, str(numbers[i])) return fig def hist(x, bins=10, group='hist'): """Make a Holoviews histogram for the data provided. Parameters ---------- x : array data bins : int or array, optional (default: 10) bins as normaly provided to numpy.histogram Returns ------- Holoviews.histogram Holoviews histogram object """ counts, edges = np.histogram(x, bins) return hv.Histogram(counts, edges, group=group) def ScaleBars(x=0, y=0, scalex=1, scaley=1, labeldx=0.035, labeldy=2, labelx='x', labely='y', w=1, color='k'): """Make scalebars using HoloViews' Curve object, and puts them at (x,y). Parameters ---------- x : float (0) The x start position y : float (0) The y start position labeldx,labeldy : floats The offsets of the x and y labels compared to the scale bars ends. The offset is away from the middle scalex : float (1) The scale of the horizontal scalebar scaley : float (1) The scale of the vertical scalebar labelx : string ('x') The label for the x scale labely : string ('y') The label for the y scale w : float (1) Width of the bars color : string ('k') Color of scale Returns ------- A holoviews Curve object with both the horizontal and vertical scalebars """ # define horizontal scalebar bar_x = hv.Curve(zip([x, x+scalex], [y, y]))(style={'color': color, 'linewidth': w}) # define horizontal label label_x = hv.Text(x+scalex/2, y-labeldx, labelx)(style={'color': color}) # define vertical scalebar bar_y = hv.Curve(zip([x, x], [y, y+scaley]))(style={'color': color, 'linewidth': w}) # define vertical label label_y = hv.Text(x-labeldy, y+scaley/2, labely, rotation=90)(style={'color': color}) # return overlay return bar_x*label_x*bar_y*label_y def show_connectivity(W): """ Illustrate the connectivity matrix W, with a simple graph. On the left will be all source neurons, on the right all target neurons. Parameters ---------- W : array The weight matrix (should be a square matrix) Output ------ Holoviews overlay The plotting object """ # plot neurons on left and right N, M = W.shape mx = np.max([N, M]) shiftmx = (mx-1)/2. shiftN = (N-1)/2. shiftM = (M-1)/2. extents = (-.1, -.1*mx-shiftmx, 1.1, mx-1+.1*mx-shiftmx) opts = hv.opts.Scatter(color='k', size=100/mx) out = hv.Scatter(zip(np.zeros(N), np.arange(N)-shiftN), extents=extents).opts(opts) out *= hv.Scatter(zip(np.ones(M), np.arange(M)-shiftM), extents=extents).opts(opts) # add forward connections for i in range(N): for j in range(M): w = W[i, j] alpha = abs(w)/abs(W).max() if w < 0: opts = hv.opts.Curve(color='b', alpha=alpha) elif w > 0: opts = hv.opts.Curve(color='r', alpha=alpha) else: opts = hv.opts.Curve(color='k', alpha=alpha) out *= hv.Curve(zip([0, 1], [i-shiftN, j-shiftM])).opts(opts) return out def rectangle(x=0, y=0, width=1, height=1): """Gives an array with a rectangle shape, for the plot_frs_block func.""" return np.array([(x,y), (x+width, y), (x+width, y+height), (x, y+height)]) def plot_frs_blocks(frs,norm, unit = ''): """ Plots the firing rates in frs as blocks, and adds a star where the minima are Parameters ---------- frs : array 2D array with firing rate sizes norm : float normalization constant (frs will be scaled as 0.4*frs/norm) unit : string what unit to use on axes. Need to do own formatting, for example ' (deg)' will make the x-label 'Center orientation (deg)' Returns ------- Holoviews Overlay The elements plotted """ # init output out = hv.Overlay() # normalize frs baseheight=.4 frs = baseheight*frs/norm # draw boxes Nx, Ny = frs.shape for i in range(Ny): for j in range(Nx): rect = rectangle(j-0.4,i*0.5-frs[j,i]/2,0.8,frs[j,i]) out *= hv.Polygons([rect],extents=(-0.6,-0.25,3.5,1.1),kdims=['Surround orientation'+unit,'Center orientation'+unit]) # add stars argmins = np.argmin(frs,axis=0) out*= hv.Scatter(zip(argmins,[0,0.5,1]),label='Strongest suppression') # add scalebar fr = int(norm/2) height = baseheight*fr/norm out*= hv.Curve(zip([0,0],[0,height])) out*= hv.Text(0, height, str(fr)+'Hz') return out def plot_bounds_z2(D, offset=(0,0,0), length=1, group='Curve'): ''' Plots the bounding box, for a given offset in z direction. For the offset in z it will be calculated what the net size of the bounding box is Parameters ---------- D : array Decoding weights, 3D offset : list/tuple/array [x,y,z] offset of the bounding box length : float length of the bounding box vertices Returns ------- HoloViews overlay The boundary box, offset by 'offset' HoloViews overlay The vectors determining the boundary box, offset by ''offset' ''' # get offsets x, y, z = offset # get thresholds for 2D box at height 0 D2 = D[:2, :] Omeg = np.dot(D2.T, D2) + np.identity(N)*beta T = np.diag(Omeg) # T = np.sqrt(2)*T # plot projection vectors and bounding box angle = np.pi/2 rotation = np.array([[np.cos(angle), -np.sin(angle)], [np.sin(angle), np.cos(angle)]]) projectVs = hv.Overlay() bounds = hv.Overlay() for i in range(N): v = np.copy(D2[:, i]) norm = np.linalg.norm(v) v/= norm scale = T[i]/norm**1-z if scale<0: scale=0 prop = scale*norm**1/T[i] v*= scale projectVs *= hv.Curve(zip([x, x+v[0]], [y, y+v[1]]), group=group) v90 = np.dot(rotation, v) v90*= length*prop/np.linalg.norm(v90) bounds *= hv.Curve(zip([x+v[0]+v90[0], x+v[0]-v90[0]], [y+v[1]+v90[1], y+v[1]-v90[1]]), group=group) return bounds, projectVs def plot_bounds(D, beta=0, offset=(0,0), length=1, widths=None, alphas=None): ''' Plots spike coding network bounding box in 2D. Parameters ---------- D : array Decoding weights beta : float network cost parameter offset : list/tuple/array [x,y] offset of the bounding box length : float length of the bounding box vertices widths : array Array of linewidths for each vertice alphas : array Array of alphas for each vertice Returns ------- HoloViews overlay The boundary box, offset by 'offset' HoloViews overlay The vectors determining the boundary box, offset by ''offset' ''' # infer some Parameters N = D.shape[1] if widths is None: widths = np.ones(N)*2 if alphas is None: alphas = np.ones(N) Omeg = np.dot(D.T, D) + np.identity(N)*beta T = np.diag(Omeg) # get offsets x, y = offset # get thresholds Omeg = np.dot(D.T, D) + np.identity(N)*beta T = np.diag(Omeg)/2 # plot projection vectors and bounding box angle = np.pi/2 rotation = np.array([[np.cos(angle), -np.sin(angle)], [np.sin(angle), np.cos(angle)]]) projectVs = hv.Overlay() bounds = hv.Overlay() for i in range(N): v = np.copy(D[:, i]) norm = np.linalg.norm(v) v/= norm**2 v*= T[i] projectVs *= hv.Curve(zip([x, x+v[0]], [y, y+v[1]])) v90 = np.dot(rotation, v) v90*= length/np.linalg.norm(v90) optsbokeh = hv.opts.Curve(backend='bokeh', line_width=widths[i], alpha=alphas[i], color=colors[i%len(colors)]) optsmat = hv.opts.Curve(linewidth=widths[i], backend='matplotlib', alpha=alphas[i], color=colors[i%len(colors)]) bounds *= hv.Curve(zip([x+v[0]+v90[0], x+v[0]-v90[0]], [y+v[1]+v90[1], y+v[1]-v90[1]]), kdims='x1 error', vdims='x2 error').opts( optsbokeh, optsmat) return bounds, projectVs def plot_bounds_z(D, T, beta=0, offset=(0,0,0), length=1, group='Curve', widths=None, alphas=None): ''' Plots the bounding box, for a given offset in z directionself. This function is specifically for bounding boxes which are cone-shaped. For the offset in z it will be calculated what the net size of the bounding box is. Parameters ---------- D : array Decoding weights, 3D T : array array of spiking thresholds beta : float network cost parameter offset : list/tuple/array [x,y,z] offset of the bounding box length : float length of the bounding box vertices widths : array Array of linewidths for each vertice alphas : array Array of alphas for each vertice Returns ------- HoloViews overlay The boundary box, offset by 'offset' HoloViews overlay The vectors determining the boundary box, offset by ''offset' ''' # infer some parameters N = D.shape[1] if widths is None: widths = np.ones(N)*2 if alphas is None: widths = np.ones(N) # get offsets x, y, z = offset # get thresholds for 2D box at height 0 D2 = D[:2, :] # plot projection vectors and bounding box angle = np.pi/2 rotation = np.array([[np.cos(angle), -np.sin(angle)], [np.sin(angle), np.cos(angle)]]) projectVs = hv.Overlay() bounds = hv.Overlay() for i in range(N): v = np.copy(D2[:, i]) norm = np.linalg.norm(v) v/= norm scale = T[i]/norm**1-z if scale<0: scale=0 prop = scale*norm**1/T[i] v*= scale projectVs *= hv.Curve(zip([x, x+v[0]], [y, y+v[1]]), group=group) v90 = np.dot(rotation, v) v90*= length*prop/np.linalg.norm(v90) # opts = hv.opts.Curve('line_width':widths[i], 'linewidth':widths[i], # 'alpha':alphas[i], 'color':colors[i%len(colors)]} bounds *= hv.Curve(zip([x+v[0]+v90[0], x+v[0]-v90[0]], [y+v[1]+v90[1], y+v[1]-v90[1]]), group=group)#(style=style) return bounds, projectVs def animate_error_box_2D(D, beta, E, x, o, Tstart=0, Tend=None, boundlength=0.5, trail_length=40, step_size=10, spike_tau=.3, dt=0.01): """For spike coding networks (SCNs), animates the error inside bounding box. Parameters ---------- D : array 2D array which is the SCN decoding matrix beta : float SCN cost parameter E : array 2D array of the error x : array 2D array of the actual stimulus o : array N by nT array of 0s and 1s indicating spikes Tstart : Omeg = np.dot(D.T, D) + np.identity(N)*beta T = np.diag(Omeg)/2int Starting timestep Tend : int Final timestep (if None, will use final timestep) boundlength : float How long to make each bounding edge trail_length : int How many timesteps to use for the error trail step_size : int How many timesteps to skip for each frame spike_tau/dt : floats Determine time constant on increased line thickness with spikes Output ------ Holoviews HoloMap """ # get some parameters if Tend is None: Tend = E.shape[1] framenums = range(Tstart, Tstart+Tend,step_size) N = D.shape[1] Omeg = np.dot(D.T, D) + np.identity(N)*beta T = np.diag(Omeg)/2 # turn spikes into line ticknesses s = np.zeros(o.shape) for i in range(o.shape[1]-1): s[:, i+1]=s[:, i]+dt*(-s[:, i]/spike_tau+o[:, i]/dt) # based on spiking, determine bound widths (so for a spike, a cell's # bound changes size) widths = {f: np.ones(D.shape[1])*3 for f in framenums} alphas = {f: np.ones(D.shape[1]) for f in framenums} alpha_max = 0 # for f in framenums: # widths[f] += s[:, f]*2 # alphas[f] += s[:, f] # if alphas[f].max() > alpha_max: # alpha_max = alphas[f].max() # for f in framenums: # alphas[f]/=alpha_max # Define the animation frames frames = {f: hv.Scatter(zip([E[0, f]], [E[1, f]]), kdims='x1 error', vdims='x2 error').opts(color='k') for f in framenums} frames = {f: frames[f]*hv.Curve(E[:2, f+1-trail_length:f+1].T).opts( color='k') for f in framenums} frames = {f: frames[f]*hv.Scatter( zip([x[0, f]], [x[1, f]]) ).opts(color='w', marker='x') for f in framenums} frames = {f: frames[f]*plot_bounds(D, beta, (0, 0), length=boundlength, widths=widths[f], alphas=alphas[f])[0] for f in framenums} # return animation return hv.HoloMap(frames)*hv.Scatter(zip([0], [0]), group='origin') def animate_error_box_z(D, beta, E, x, o, Tstart=0, Tend=None, boundlength=0.5, trail_length=40, step_size=10, spike_tau=.3, dt=0.01): """For spike coding networks (SCNs), animates the error inside bounding box. Parameters ---------- D : array 2D array which is the SCN decoding matrix beta : float SCN cost parameter E : array 3D array of the error x : array 2D array of the actual stimulus o : array N by nT array of 0s and 1s indicating spikes Tstart : int Starting timestep Tend : int Final timestep (if None, will use final timestep) boundlength : float How long to make each bounding edge trail_length : int How many timesteps to use for the error trail step_size : int How many timesteps to skip for each frame spike_tau/dt : floats Determine time constant on increased line thickness with spikes Output ------ Holoviews HoloMap """ # get some parameters if Tend is None: Tend = E.shape[1] framenums = range(Tstart, Tstart+Tend,step_size) N = D.shape[1] Omeg = np.dot(D.T, D) + np.identity(N)*beta T = np.diag(Omeg)/2 # turn spikes into line ticknesses s = np.zeros(o.shape) for i in range(o.shape[1]-1): s[:, i+1]=s[:, i]+dt*(-s[:, i]/spike_tau+o[:, i]/dt) # based on spiking, determine bound widths (so for a spike, a cell's # bound changes size) widths = {f: np.ones(D.shape[1])*2 for f in framenums} alphas = {f: np.ones(D.shape[1]) for f in framenums} alpha_max = 0 for f in framenums: widths[f] += s[:, f]*2 alphas[f] += s[:, f] if alphas[f].max() > alpha_max: alpha_max = alphas[f].max() for f in framenums: alphas[f]/=alpha_max # Define the animation frames frames = {f: hv.Scatter(zip([E[0, f]], [E[1, f]]), kdims='x1 error', vdims='x2 error') for f in framenums} frames = {f: frames[f]*hv.Curve(E[:2, f+1-trail_length:f+1].T) for f in framenums} frames = {f: frames[f]*hv.VLine(x[0, f])*hv.HLine(x[1, f]) for f in framenums} frames = {f: frames[f]*plot_bounds_z(D, T, beta, (0, 0, E[2, f]), length=boundlength, widths=widths[f], alphas=alphas[f])[0] for f in framenums} # return animation return hv.HoloMap(frames)*hv.Scatter(zip([0], [0]), group='origin') def animate_signal_tracking(x, x_, times, Tstart=0, Tend=None, step_size=10): """For spike coding networks (SCNs), animates signal tracking. Parameters ---------- x : array 2D array of the actual stimulus x_ : array 2D array of the estimated stimulus times : array array of times Tstart : int Starting timestep Tend : int Final timestep (if None, will use final timestep) step_size : int How many timesteps to skip for each frame Output ------ Holoviews HoloMap """ # get some parameters if Tend is None: Tend = x.shape[1] framenums = range(Tstart, Tstart+Tend,step_size) # Define the animation frames style_x = {'color':'k', 'alpha':0.5, 'linestyle':'--'} style_x_ = {'color':'k', 'alpha':1} step_size=1 frames = {f: hv.Curve( zip(times[0:f:step_size], x[0, 0:f:step_size]) )(style=style_x) for f in framenums} frames = {f: frames[f]*hv.Curve( zip(times[0:f:step_size], x_[0, 0:f:step_size]) )(style=style_x_) for f in framenums} for s in range(1, x.shape[0]): frames = {f: frames[f]*hv.Curve( zip(times[0:f:step_size], x[s, 0:f:step_size]) )(style=style_x) for f in framenums} frames = {f: frames[f]*hv.Curve( zip(times[0:f:step_size], x_[s, 0:f:step_size]) )(style=style_x_) for f in framenums} # return animation return hv.HoloMap(frames) def spike_plot(o, times, base_offset, offset, colors=colors): """Plots a set of neurons' spikes, given a 2d array of 0's and 1's. Parameters ---------- o : array 2D-array of 0's and 1's (1's being spikes), of size (n_cells, n_timepoints) times : array array of times base_offset : float y-axis offset of all spikes offset : float y-axis offset between each row of spikes colors : list of strings Color list to cycle through when plotting the neurons Returns ------- Holoviews Overlay An overlay with all the spikes shown """ # make spike plot animation out = hv.Overlay() for i in range(o.shape[0]): spiketimes = times[np.where(o[i, :]==1)[0]] if len(spiketimes)>0: opts = hv.opts.Scatter(color=colors[i%len(colors)]) out *= hv.Scatter( zip(spiketimes, np.ones(len(spiketimes))*offset*i+base_offset), kdims='Time (s)', vdims='Neuron', group='spikes').opts(opts) else: opts = hv.opts.Scatter(color='w', alpha=0) out *= hv.Scatter([], kdims='Time (s)', vdims='Neuron', group='spikes').opts(opts) return out def spike_anim(o, times, base_offset, offset, Tstart=0, Tend=None, step_size=10): """Animates a set of neurons' spikes, given a 2d array of 0's and 1's. Parameters ---------- o : array 2D-array of 0's and 1's (1's being spikes), of size (n_cells, n_timepoints) times : array array of times base_offset : float y-axis offset of all spikes offset : float y-axis offset between each row of spikes Tstart : int Starting timestep Tend : int Final timestep (if None, will use final timestep) step_size : int How many timesteps to skip for each frame y-axis offset between each row of spikes Tstart : int Starting timestep Tend : int Final timestep (if None, will use final timestep) step_size : int How many timesteps to skip for each frame Returns ------- Holoviews Overlay An overlay with all the spikes shown """ # get some parameters if Tend is None: Tend = o.shape[1] framenums = range(Tstart, Tstart+Tend,step_size) # Define the animation frames frames = {f: hv.Curve([])*spike_plot( o[:, 0:f], times[0:f], base_offset, offset ) for f in framenums} # return animation return hv.HoloMap(frames) def GiveBoundLines(D, ref, lim): """Gives the boundary lines for all neurons with weights D (assuming a 2d encoded variable) Parameters ---------- D : array Standard SCN decoding matrix (for 2D signals) ref : float Which value the voltage should be at (usually the threshold) limit : float What limit to use for x- and y- axes Returns ------- array N by 2 array with x-coordinates array N by 2 array with y-coordinates """ N = D.shape[1] Dzeros = D==0 D[Dzeros]=1e-20 xy = np.linspace(-lim, lim, 2) # find naive coordinates (x to y coords) Xs = np.array([xy for n in range(N)]) Ys = np.array([(ref-D[0, n]*xy)/D[1, n] for n in range(N)]) # for all out of bounds (oob), find y to x coords instead oob_x, oob_y = np.where(abs(Ys)>lim) for i in range(len(oob_x)): nx, ny = oob_x[i], oob_y[i] y = np.sign(Ys[nx, ny])*lim Xs[nx, ny] = (ref-D[1, nx]*y)/D[0, nx] Ys[nx, ny] = y D[Dzeros]=0 return Xs, Ys def findIntersection(Xs, Ys): """Finds the intersection between two lines. From https://stackoverflow.com/questions/20677795/how-do-i-compute-the-intersection-point-of-two-lines-in-python Parameters ---------- Xs, Ys : arrays 2 by 2 arrays, first dimension is neurons, second x and y axis Returns ------- np.array the x and y coordinates of the intersection """ x1,x2 = Xs[0, :] x3,x4 = Xs[1, :] y1,y2 = Ys[0, :] y3,y4 = Ys[1, :] px= ( (x1*y2-y1*x2)*(x3-x4)-(x1-x2)*(x3*y4-y3*x4) ) / ( (x1-x2)*(y3-y4)-(y1-y2)*(x3-x4) ) py= ( (x1*y2-y1*x2)*(y3-y4)-(y1-y2)*(x3*y4-y3*x4) ) / ( (x1-x2)*(y3-y4)-(y1-y2)*(x3-x4) ) return np.array([px, py]) def findAllIntersects(D, ref, lim): """Finds all intersections for point sets Xs and Ys. Only returns the inner intersections. Parameters ---------- D : array Standard SCN decoding matrix (for 2D signals) ref : float Which value the voltage should be at (usually the threshold) lim : float What limit to use for x- and y- axes Output ------ array 2 by n array, where n is the number of intersections. These are the cross-section coordinates. array n 2 by 2 array, where n is the number intersections. These are the line segments. These are sorted by neuron. """ # get bounding lines Xs, Ys = GiveBoundLines(D, ref, lim) # get intersects N = Xs.shape[0] intersects = np.array([findIntersection(Xs[[n1, n2], :], Ys[[n1, n2], :]) for n1 in range(N) for n2 in range(n1+1,N)]) # throw away any that are past threshold, so can't be part of the bounding box past_threshold=np.sum(np.dot(D.T, intersects.T) > ref+0.00000000000001, axis=0) # need to add a small value for floating point errors intersects = intersects[past_threshold==0, :] # order by orientation, and by neuron number sort = np.argsort(np.arctan2(intersects[:, 0], intersects[:, 1])) intersects = intersects[sort, :] # find linesegments intersects_lines = np.array([[intersects[n1%N, :], intersects[(n1+1)%N, :]] for n1 in range(-1,N-1)]) return intersects, intersects_lines def plot_bounding_curves(D, ref, lim, offsets=None, linewidths=None): """Plots a bounding box from a set of lines. Parameters ---------- D : array Standard SCN decoding matrix (for 2D signals) ref : float Which value the voltage should be at (usually the threshold) lim : float What limit to use for x- and y- axes offsets : array [x, y] offsets linewidths : array Linewidths for each neural bound Returns ------- Holoviews Overlay An overlay plot """ # give default offsets if offsets is None: offsets = [0, 0] if linewidths is None: opts = [hv.opts.Curve()]*D.shape[1] else: opts = [hv.opts.Curve(linewidth=linewidths[n]) for n in range(D.shape[1])] # get intersect lines intersects, intersect_lines = findAllIntersects(D, ref, lim) N = intersect_lines.shape[0] fig = hv.Overlay() for n in range(N): x = intersect_lines[n, :, 0]+offsets[0] y = intersect_lines[n, :, 1]+offsets[1] fig *= hv.Curve(zip(x, y), extents=(-lim, -lim, lim, lim)).opts(opts[n]) return fig def plot_bounding_curves_z(intersect_lines, height): """Plots a bounding box from a set of lines in 3D at particular height. Parameters ---------- intersect_lines : array Array as returned by findAllIntersects() Returns ------- Holoviews Overlay An overlay plot """ N = intersect_lines.shape[0] fig = hv.Overlay() for n in range(N): x = intersect_lines[n, :, 0]*abs(1-height) y = intersect_lines[n, :, 1]*abs(1-height) z = np.ones(len(x))*height fig *= hv.Path3D((x, y, z)).opts(hv.opts.Path3D(line_width=3)) return fig def plot_cone_frame(D, ref, lim, depth, extents=None): """Plots a 3D bounding-cone using HoloViews. Parameters ---------- D : array Decoding weights, 3D ref : float Which value the voltage should be at (usually the threshold) ref : float What limit to use for x- and y- axes for determining bounding box depth : float Until what depth to plot the bounding cone extents : tuple Plotting extents (xmin, ymin, zmin, xmax, ymax, zmax) Returns ------- Holoviews Overlay 3D plotting object, only works in matplotlib or plotly """ # find intersection points intersects, intersects_lines = findAllIntersects(D[:2, ], ref, lim) N = D.shape[1] # plot the contour lines fig = hv.Overlay() for n in range(N): x = np.concatenate([[0], intersects_lines[n, :, 0]*(1+depth)]) y = np.concatenate([[0], intersects_lines[n, :, 1]*(1+depth)]) z = np.ones(len(x))*-depth z[0] = ref fig*=hv.Path3D((x, y, z), extents=extents).opts(color='gray') return fig def plot_spike_3D(o, E, D, ref, lim, color=None): """ Plots a spike on 3D structure. Inputs ------ o, E, D, ref, lim : TODO TODO color : list List of colors to use""" if color is None: color = colors Ncolors = len(color) N = D.shape[1] intersects, intersect_lines = findAllIntersects(D[:2, :], ref, lim) zs = E[-1, :] spike_ids, spike_times = np.where(o) fig = hv.Overlay() for i, time in enumerate(spike_times): n = spike_ids[i] x = intersect_lines[(n)%N, :, 0]*abs(1-zs[time]) y = intersect_lines[(n)%N, :, 1]*abs(1-zs[time]) z = np.ones(len(x))*zs[time] fig *= hv.Path3D((x, y, z)).opts(hv.opts.Path3D(line_width=3, color=color[n%Ncolors])) return fig def plot_stim_and_ests(x, x_, times, offset, Mplot, colors=None, backend='bokeh'): """Plots the stimulus and the estimates on top of eachother with offsets. Parameters ---------- x, x_ : arrays Input and outputs times : array Time points for x-axis offset : float The offset between each curve (per stimulus dimension) Mplot : int How many dimensions to plot colors : list of color strings or codes Optionally give a list of colors instead of the default colors Outputs ------- Holoviews Overlay The curves plotted together """ if colors is None: colors = hv.core.options.Cycle.default_cycles['default_colors'] ncolors = len(colors) fig = hv.Overlay() for m in range(Mplot): if backend=='bokeh': fig *= hv.Curve(zip(times, x_[m, :]-m*offset), kdims='Time', group='readout').opts(color=colors[m%ncolors]) fig *= hv.Curve(zip(times, x[m, :-1]-m*offset), kdims='Time', group='input').opts( hv.opts.Curve(color='k',line_dash='dashed')) elif backend=='matplotlib': fig *= hv.Curve(zip(times, x_[m, :]-m*offset), kdims='Time', group='readout').opts(color=colors[m%ncolors]) fig *= hv.Curve(zip(times, x[m, :-1]-m*offset), kdims='Time', group='input').opts( hv.opts.Curve(color='k',linestyle='--')) else: raise NotImplementedError('No other backend explicitly implemented. Plotly might work with either though.') return fig
swkeemink/PythonTools
swktools/plotting.py
Python
gpl-2.0
40,079
[ "NEURON" ]
8be2681f5690b8f5b8795aba40b6137718bdb1d82c09e63419b7b78d2cd7bf4d
#!/usr/bin/python #prompt-core-processes #daniel.antony.pass@googlemail.com ################################################################### ## This script runs the backbone of prompt. External packages ## ## are called from here but additional scripts which are refered ## ## to can be found in the ./scripts folder. ## ################################################################### import os import sys import re from subprocess import call import shutil import subprocess from Bio import SeqIO from Bio.Blast.Applications import NcbiblastnCommandline indir = sys.argv[1] sample = sys.argv[2] tmpdir = sys.argv[3] database = sys.argv[4] blast_homology = sys.argv[5] multicore_no = sys.argv[6] script_dir = sys.argv[7] run_mode = sys.argv[8] webdir = sys.argv[9] in_fasta = sample + ".fas" orig_stdout = sys.stdout bufsize = 1 f = file(webdir + 'tmp/log.txt', 'a', bufsize) sys.stdout = f seq_no = 0 lengths = [] taxa_list = ("refseq","species","genus","family","class") divider = "<br>~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~<br>" try: open_fasta = open(indir + in_fasta, "rU") except IOError: print "Cannot find input:" + indir + in_fasta def main(): process_infiles(open_fasta) if (run_mode == "both") or (run_mode == "processing_only"): process_sample() if (run_mode == "both") or (run_mode == "analysis_only"): analyse_sample() pop_website() def blastn(fas, db): print("blasting cdhit sequences against the " + db + " database") blast_in = (fas) blast_out = (tmpdir + "blast_files/" + sample + ".blast") blastn_cline = NcbiblastnCommandline(query=blast_in, db=db, evalue=0.001, outfmt=6, out=blast_out, num_threads=multicore_no) stdout, stderr = blastn_cline() blast_err_log = open(tmpdir + "blast_err.txt", "w") blast_stdout_log = open(tmpdir + "blast_stdout.txt", "w") blast_err_log.write(stderr) blast_stdout_log.write(stdout) return blast_out def cdhit(fas): cdhit_in = (indir + fas) global cdhit_out cdhit_out = (tmpdir + "cdhit_files/" + fas + "_cdhitout.fa") cd_stdout = (tmpdir + "cdhit_files/ cdhit_stdout.txt") cd_stderr = (tmpdir + "cdhit_files/ cdhit_sterr.txt") call(["cd-hit-454","-i",cdhit_in,"-o",cdhit_out, "-c", "0.99"]) #subprocess.Popen(["cd-hit-454","-i",cdhit_in,"-o",cdhit_out], stdout=subprocess.PIPE) call([script_dir + "/parse_cd-hit.py", cdhit_out + ".clstr", tmpdir]) global cdhit_clusters cdhit_clusters = (cdhit_out + ".clstr.parse") return cdhit_out def process_infiles(open_fasta): #process infiles print divider print "Processing infile for sample" + sample for record in SeqIO.parse(open_fasta, "fasta"): lengths.append(len(record.seq)) global seq_no seq_no = len(lengths) print "Average length of", seq_no, "input sequences is ", sum(lengths)/seq_no, "base pairs" def process_sample(): #cd-hit print divider print "Passing to CD-HIT for data reduction" cdhit_fas = cdhit(in_fasta) #do blast print divider print "Passing to blast for taxonomic assignment" blast_out = blastn(cdhit_fas, database) print divider print "Filtering Blast results at " + str(blast_homology) + "% required database match" print "Filtering " + blast_out call([script_dir + "/filter_blast.py", blast_out, str(blast_homology)]) def analyse_sample(): cdhit_cluster_file = tmpdir + "cdhit_files/" + in_fasta + "_cdhitout.fa.clstr.parse" #Create abundance files print divider print "Converting blast output into abundance files" call(["mkdir", tmpdir + "abundance_files/" + sample]) call(["perl", script_dir + "create_abundance_files.pl", str(sample) + ".blast_filter", str(seq_no), tmpdir, cdhit_cluster_file]) #build web files print divider print "converting output files into html webfiles" call(["mkdir", tmpdir + "html_files/" + sample]) for level in taxa_list: print "Generating html file: " + sample + ":" + level call(["perl", script_dir + "/generate_html.pl", tmpdir, script_dir, sample, level]) def pop_website(): #Populate website print divider print "Copying files to the webserver" copyDirectory(tmpdir + 'html_files/' + sample, webdir + '/analyses/pie/NGS/' + sample) copyDirectory(tmpdir + 'abundance_files/' + sample, webdir + '/analyses/abun/NGS/' + sample) def copyDirectory(src, dest): try: shutil.copytree(src, dest) # Directories are the same except shutil.Error as e: print('Directory not copied. Error: %s' % e) # Any error saying that the directory doesn't exist except OSError as e: print('Directory not copied. Error: %s' % e) if __name__ == "__main__": main()
passdan/prompt
scripts/prompt_sample.py
Python
gpl-3.0
4,862
[ "BLAST" ]
6183f3800cc3ec61ffd5782f185e91445693578e772ee7fef8a4d66d5b98ca8c
import os import sys import pkgutil def LoadFolder(inputFolderPath): infilePathList=[] for root, dirs, files in os.walk(inputFolderPath): for file in files: infilePathList.append(inputFolderPath+file) return infilePathList def Loader(mainPath0): flag=0 mainEntryPath=mainPath0 mainPath=os.path.dirname(mainEntryPath) if mainPath[-1]=='/': pass else: mainPath=mainPath+'/' fileList=LoadFolder(mainPath) # Check path configure file if mainPath+'PathConfigure.log' in fileList: with open(mainPath+'PathConfigure.log','r') as inf: tempList=inf.readlines() if len(tempList)==2: if os.path.exists(tempList[0].replace('\n','')): if os.path.exists(tempList[1].replace('\n','')): pass else: flag = 1 print('Pkcombu path is not configured correctly.\nExit.') return 1 else: flag = 1 print('eMolFrag path is not configured correctly.\nExit.') return 1 else: flag = 1 print('Path configuration is not correctly.\nExit.') return 1 else: flag = 1 print('Cannot find path configure file.\nExit.') return 1 # Check main entry eMolFrag.py if mainEntryPath in fileList: pass else: flag = 1 print('Cannot find entrance: eMolFrag.py.\nExit.') return 1 # Check RDKit load1=pkgutil.find_loader('rdkit') #load2=pkgutil.find_loader('rdkit.Chem') if load1 == None: print('Cannot find RDKit.\nExit.') flag = 1 return 1 else: load2=pkgutil.find_loader('rdkit.Chem') if load2 == None: print('RDKit is not properly installed.\nExit.') flag = 1 return 1 else: pass # Check pkcombu # Already checked previously. # Check function lib if os.path.exists(mainPath+'chopRDKit02.py'): pass else: flag = 1 print('Cannot find part of script files.\nExit.') return 1 if os.path.exists(mainPath+'combineLinkers01.py'): pass else: flag = 1 print('Cannot find part of script files.\nExit.') return 1 if os.path.exists(mainPath+'mol-ali-04.py'): pass else: flag = 1 print('Cannot find part of script files.\nExit.') return 1 if os.path.exists(mainPath+'rmRedLinker03.py'): pass else: flag = 1 print('Cannot find part of script files.\nExit.') return 1 if os.path.exists(mainPath+'rmRedRigid01.py'): pass else: flag = 1 print('Cannot find part of script files.\nExit.') return 1 return flag
liutairan/eMolFrag
Old versions/eMolFrag_2016_09_09_01/loader.py
Python
gpl-3.0
2,968
[ "RDKit" ]
8988925ce3aca2dcea04ec68ec6c664225807f88a21520ed117b9844fc2d3812
#!/usr/bin/env python """ scanFAAM.py =========== Holds the scanFAAM function that is used to work out the first and last index of real data (i.e. non-missing data in a load of FAAM flight data). It is used in conjunction with nappy to reduce the size of output files by missing out beginning and end periods that hold only misssing values. Usage ===== scanFAAM.py -f <filename> [-m <missing_value>] Where: ------ filename - path to a FAAM NetCDF file missing_value - missing value to use for variables. """ import os, sys, cdms, getopt def scanFAAM(fileName=None, vars=None, nth=4, missingValuesToUse=(-9999., -32767.)): """ Scans every 'nth' variable in the list of variables (or found in the file and gets the first and last index of the first (time) dimension that holds real (non-missing) values. """ if type(missingValuesToUse)!=type((1,2)): missingValuesToUse=(missingValuesToUse,) startList=[] endList=[] start=None end=None if not fileName and not vars: raise "You must provide either a file name or a list of cdms variables." if fileName: f=cdms.open(fileName) vars=f.listvariables() for var in vars: if type(var)!=type(""): id=var.id else: id=var if id[-4:]=="FLAG" or id=="Time": continue if type(var)==type(""): var=f(var) step=1000 while (start, end)==(None, None): (start, end)=findMissing(var, step, missingValuesToUse) step=step/2 startList.append(start) endList.append(end) print "Start/End index: %s %s:%s" % (id, start, end) startMin=min(startList) endMax=max(endList) return (startMin, endMax) def findMissing(var, step, missingValuesToUse): """ Returns the (start, end) tuple for a given variable where they are indices of an array where missing values end and begin. """ start=None end=None i0=0 sh=var.shape iend=sh[0]-1 print var.id, step for miss in missingValuesToUse: for i in range(i0, iend, step): if var[i][0]==miss: start=i break for e in range(iend, i0, -step): if var[e][0]==miss: end=e break return (start, end) if __name__=="__main__": argList=sys.argv[1:] args=getopt.getopt(argList, "f:m:") fileName=None missingValue=None for arg,value in args[0]: if arg=="-f": fileName=value elif arg=="-m": missingValue=float(value) scanFAAM(fileName=fileName, missingValuesToUse=(missingValue,))
eufarn7sp/egads
egads/thirdparty/nappy/contrib/aircraft/scanFAAM.py
Python
gpl-3.0
2,764
[ "NetCDF" ]
ee260333361adb6856a0bf5b03b93b947c52d4fdbf6a9fe15104d095030f8395
"""Tests for the Elk-M1 Control integration."""
turbokongen/home-assistant
tests/components/elkm1/__init__.py
Python
apache-2.0
48
[ "Elk" ]
111fbb4814dce8d2b51bb8838717a7361c51569246345aa5c0312671f4c3f7c6
import math from numpy import array, full, ones_like import util from tvtk.api import tvtk from mayavi import mlab from traits.api import HasTraits, Instance, on_trait_change from traitsui.api import View, Item from mayavi.core.ui.api import MayaviScene, MlabSceneModel, SceneEditor from mayavi.core.api import Engine from callout import Callout from const import GYPSY_PINK """ Created on Wed Nov 27 10:37:08 2013 """ __author__ = 'brandon.corfman' # noinspection SpellCheckingInspection __doc__ = ''' Plot a target scene using JMAE input and output files. The AVs in AVFILE are plotted as small red spheres. Target surfaces are plotted as wireframe quads. Blast volumes are plotted as spheres or double cylinders with sphere caps. Matrix is a VTK rectilinear grid that can display either fixed- or exponential-size cells. Sample/burst points are displayed as small white spheres. ''' ###################################################################### class Visualization(HasTraits): scene = Instance(MlabSceneModel) view = View(Item('scene', editor=SceneEditor(scene_class=MayaviScene), resizable=True, show_label=False), resizable=True) def __init__(self, **traits): super(HasTraits, self).__init__(**traits) self.engine = Engine() self.engine.start() def _scene_default(self): return MlabSceneModel(engine=self.engine) @on_trait_change('scene.activated') def update_plot(self): pass class Plotter(Visualization): def __init__(self, model): super(Plotter, self).__init__() self.scale_defl, self.scale_range = 0.0, 0.0 self.plot = None self.target = None self.model = model self.rotation = 0 self.sel_x = [] self.sel_y = [] self.sel_z = [] self.burstpoint_array = None self.burstpoint_glyphs = None self.outline = None self.axes = None self.selected_az = None self.radius_points = None self.pid = None self.rgrid = None self.wgrid = None self.rgrid_array = None self.mtx_callout = None self.mun_callout = None self.av_callouts = [] self.access_obj = None self.lut_table = None def plot_av(self): """ Plot fragment vulnerable AVs as points (spheres) on the 3D scene.""" # TODO: plot AVs based on interpolation like JMAE (not just the nearest ones) model = self.model x, y, z, sz, color = [], [], [], [], [] for i in model.frag_ids: x.append(model.comps[i].x) y.append(model.comps[i].y) z.append(model.comps[i].z) sz.append(0.3) color.append(1.0) title = '{0} ({1},{2},{3})'.format(model.comps[i].name, x[-1], y[-1], z[-1]) callout = Callout(title, justification='center', font_size=9, color=(1, 1, 1), position=(x[-1], y[-1], z[-1] + 0.5)) callout.visible = False self.av_callouts.append(callout) self.scene.add_actor(callout.actor) pts = self.scene.mlab.quiver3d([x], [y], [z], [sz], [sz], [sz], name='component AV', colormap='blue-red', scalars=color, mode='sphere', scale_factor=1) pts.module_manager.scalar_lut_manager.reverse_lut = True pts.glyph.color_mode = 'color_by_scalar' pts.glyph.glyph_source.glyph_source.center = (0, 0, 0) # noinspection SpellCheckingInspection def plot_srf_file(self): """ Reformat target model surfaces as a numpy array, and display them as wireframe polygons on the 3D scene. """ model = self.model polys = array([[4 * i, 4 * i + 1, 4 * i + 2, 4 * i + 3] for i in range(len(model.surfaces) // 4)]) poly_obj = tvtk.PolyData(points=model.surfaces, polys=polys) self.target = mlab.pipeline.surface(poly_obj, name='target') self.target.actor.property.representation = 'wireframe' self.target.actor.property.color = (0, 0, 0) # save this table for later in case of frag zone plotting self.lut_table = self.target.module_manager.scalar_lut_manager.lut # noinspection SpellCheckingInspection def plot_matrix_file(self): """ Show matrix as a VTK rectilinear grid at the munition burst height. """ model = self.model # Define rectilinear grid according to the matrix gridlines. # Set the single Z coordinate in the elevation array equal to the munition burst height. elevations = full(1, model.burst_height) x_dim, y_dim, z_dim = len(model.gridlines_range), len(model.gridlines_defl), len(elevations) self.rgrid = tvtk.RectilinearGrid(x_coordinates=model.gridlines_range, y_coordinates=model.gridlines_defl, z_coordinates=elevations, dimensions=(x_dim, y_dim, z_dim)) # Grid colors are displayed using an additional array (PKs). # T transposes the 2D PK array to match the gridline cells and then # ravel() flattens the 2D array to a 1D array for VTK use as scalars. self.rgrid.cell_data.scalars = model.pks.T.ravel() self.rgrid.cell_data.scalars.name = 'pks' self.rgrid.cell_data.update() # refreshes the grid now that a new array has been added. p = tvtk.Property(color=(0, 0, 0)) # color only matters if we are using wireframe, but I left it in for ref. # this method puts the surface in the Mayavi pipeline so the user can change it. surf = self.scene.mlab.pipeline.surface(self.rgrid, name='matrix') surf.actor.actor.property = p surf.actor.update_data() # gridlines added at JJS request, but they make the scene look fairly bad, so I'm commenting them out. # wgrid_height = full(1, model.burst_height+0.1) # self.wgrid = tvtk.RectilinearGrid(x_coordinates=model.gridlines_range, y_coordinates=model.gridlines_defl, # z_coordinates=wgrid_height, dimensions=(x_dim, y_dim, z_dim)) # surf = self.scene.mlab.pipeline.surface(self.wgrid, name='gridlines') # wf = tvtk.Property(representation='wireframe', color=(0.5, 0.5, 0.5)) # surf.actor.actor.property = wf # surf.actor.update_data() # give PK colorbar a range between 0 and 1. The default is to use the min/max values in the array, # which would give us a custom range every time and make it harder for the user to consistently identify what # the colors mean. surf.module_manager.scalar_lut_manager.use_default_range = False surf.module_manager.scalar_lut_manager.data_range = array([0., 1.]) self.scene.mlab.colorbar(surf, title='Cell Pk', orientation='vertical') # Put max and min gridline coordinates in the upper-right corner of the matrix. # Also, scale the text to a readable size. sz = max(1, int(abs(model.gridlines_range[-1] - model.gridlines_range[0]) / 100)) spacing = max(5, sz) text = 'Matrix range: (%5.1f, %5.1f)\nMatrix defl: (%5.1f, %5.1f)' % (model.mtx_extent_range[0], model.mtx_extent_range[1], model.mtx_extent_defl[0], model.mtx_extent_defl[1]) self.mtx_callout = Callout(text, justification='left', font_size=18, color=(1, 1, 1), position=(model.gridlines_range[-1], model.gridlines_defl[0], 4 * spacing)) self.scene.add_actor(self.mtx_callout.actor) def plot_blast_volumes(self): model = self.model p = tvtk.Property(opacity=0.25, color=GYPSY_PINK) for bidx in model.blast_ids: comp = model.comps[bidx] r1, r2, r3, z1, z2 = model.blast_vol[bidx] if r1 == 0 and r2 == 0 and z1 == 0: # blast sphere source_obj = mlab.pipeline.builtin_surface() source_obj.source = 'sphere' source_obj.data_source.center = (comp.x, comp.y, z2) source_obj.data_source.radius = r3 source_obj.data_source.phi_resolution = 50 source_obj.data_source.theta_resolution = 50 # adding TVTK poly to Mayavi pipeline will do all the rest of the setup necessary to view the volume surf = mlab.pipeline.surface(source_obj, name='blast sphere %s' % comp.name) surf.actor.actor.property = p # add color else: # double cylinder merged with sphere cap cap = tvtk.SphereSource(center=(0, 0, 0), radius=r3, start_theta=0, end_theta=180, phi_resolution=50, theta_resolution=50) t = tvtk.Transform() t.translate(comp.x, comp.y, z2) t.rotate_x(90.0) cap_tf = tvtk.TransformPolyDataFilter(input_connection=cap.output_port, transform=t) cap_tf.update() upper_cyl_height = r3 + z2 - z1 source_obj = tvtk.AppendPolyData() if upper_cyl_height > 0.0: # handle both upper cylinder with sphere cap, plus lower cylinder upper_cyl = tvtk.CylinderSource(center=(0, 0, 0), radius=r2, height=upper_cyl_height, resolution=50) t = tvtk.Transform() t.translate(comp.x, comp.y, upper_cyl_height / 2.0) t.rotate_x(90.0) upper_tf = tvtk.TransformPolyDataFilter(input_connection=upper_cyl.output_port, transform=t) upper_tf.update() tri1 = tvtk.TriangleFilter(input_connection=cap_tf.output_port) tri2 = tvtk.TriangleFilter(input_connection=upper_tf.output_port) cap_slice = tvtk.BooleanOperationPolyDataFilter() cap_slice.operation = 'difference' cap_slice.add_input_connection(0, tri1.output_port) cap_slice.add_input_connection(1, tri2.output_port) cap_slice.update() lower_cyl = tvtk.CylinderSource(center=(0, 0, 0), radius=r1, height=z1, resolution=50) t = tvtk.Transform() t.translate(comp.x, comp.y, z1 / 2.0 + 0.01) t.rotate_x(90.0) lower_tf = tvtk.TransformPolyDataFilter(input_connection=lower_cyl.output_port, transform=t) lower_tf.update() tri3 = tvtk.TriangleFilter(input_connection=cap_slice.output_port) tri4 = tvtk.TriangleFilter(input_connection=lower_tf.output_port) upper_cyl_plus_cap = tvtk.BooleanOperationPolyDataFilter() upper_cyl_plus_cap.operation = 'difference' upper_cyl_plus_cap.add_input_connection(0, tri3.output_port) upper_cyl_plus_cap.add_input_connection(1, tri4.output_port) upper_cyl_plus_cap.update() source_obj.add_input_connection(upper_cyl_plus_cap.output_port) source_obj.add_input_connection(lower_tf.output_port) source_obj.update() else: # lower cylinder only, intersected with sphere cap lower_cyl = tvtk.CylinderSource(center=(0, 0, 0), radius=r1, height=z1, resolution=50) t = tvtk.Transform() t.translate(comp.x, comp.y, z1 / 2) t.rotate_x(90.0) lower_tf = tvtk.TransformPolyDataFilter(input_connection=lower_cyl.output_port, transform=t) lower_tf.update() tri1 = tvtk.TriangleFilter(input_connection=cap_tf.output_port) tri2 = tvtk.TriangleFilter(input_connection=lower_tf.output_port) boolean_op = tvtk.BooleanOperationPolyDataFilter() boolean_op.operation = 'difference' boolean_op.add_input_connection(0, tri1.output_port) boolean_op.add_input_connection(1, tri2.output_port) boolean_op.update() source_obj.add_input_connection(lower_tf.output_port) source_obj.add_input_connection(boolean_op.output_port) source_obj.update() # adding TVTK poly to Mayavi pipeline will do all the rest of the setup necessary to view the volume surf = mlab.pipeline.surface(source_obj.output, name='blast volume %s' % comp.name) surf.actor.actor.property = p # add color def plot_munition(self): """ Plot an arrow showing direction of incoming munition and display text showing angle of fall, attack azimuth and terminal velocity. """ model = self.model # calculate scaling size for matrix range and deflection text. # allow for a missing matrix file by checking to see whether gridlines exist first. if model.gridlines_range: sz = max(1, int(abs(model.gridlines_range[-1] - model.gridlines_range[0]) / 1000), int(abs(model.gridlines_defl[-1] - model.gridlines_defl[0]) / 1000)) else: sz = 1 # position arrow position outside of target, using both maximum radius and matrix offset. line_scale = 15 zloc = model.burst_height + line_scale * math.sin(math.radians(model.aof)) if not model.az_averaging: xv, yv, zv = util.rotate_pt_around_yz_axes(1.0, 0.0, 0.0, model.aof, model.attack_az) # rotate unit vector into position of munition attack_az and aof xloc, yloc, _ = util.rotate_pt_around_yz_axes(-1.0, 0.0, 0.0, model.aof, model.attack_az) xloc *= model.volume_radius yloc *= model.volume_radius # rotate arrow into correct position mlab.quiver3d([xloc], [yloc], [zloc], [xv], [yv], [zv], color=(1, 1, 1), reset_zoom=False, scale_factor=15, name='munition') # label arrow with text describing terminal conditions format_str = '{0} deg AOF\n{1}° deg attack azimuth\n{2} ft/s terminal velocity\n{3} ft. burst height' label = format_str.format(model.aof, model.attack_az, model.term_vel, model.burst_height) self.mun_callout = Callout(label, justification='left', font_size=14, color=(1, 1, 1), position=(xloc, yloc, zloc + 3)) self.scene.add_actor(self.mun_callout.actor) else: # azimuth averaged case # plot arrows showing incoming AOF for each azimuth for az in range(0, 360, int(model.attack_az)): xv, yv, zv = util.rotate_pt_around_yz_axes(1.0, 0.0, 0.0, model.aof, az) # rotate arrow into correct position xloc, yloc, _ = util.rotate_pt_around_yz_axes(-1.0, 0.0, 0.0, model.aof, az) xloc *= model.volume_radius yloc *= model.volume_radius self.scene.mlab.quiver3d([xloc], [yloc], [zloc], [xv], [yv], [zv], color=(1, 1, 1), reset_zoom=False, scale_factor=15, name='munition %d deg' % az) if az == 0: # display one callout showing terminal conditions above the 0 degree azimuth arrow. format_str = '{0} deg AOF\nAvg attack az - {1} deg inc.\n{2} ft/s terminal velocity\n' format_str += '{3} fr. burst height' label = format_str.format(model.aof, model.attack_az, model.term_vel, model.burst_height) self.mun_callout = Callout(label, justification='left', font_size=14, color=(1, 1, 1), position=(xloc, yloc, zloc + 3)) self.scene.add_actor(self.mun_callout.actor) def plot_detail(self): """ Plot burstpoints or sample points from the detail file.""" self.sel_x, self.sel_y, self.sel_z = [], [], [] points = self.radius_points az = self.selected_az for _, key in enumerate(points): self.sel_x.append(points[key][az][0]) self.sel_y.append(points[key][az][1]) self.sel_z.append(points[key][az][2]) # setting the scalars here is necessary to avoid VTK error: "Algorithm vtkAssignAttribute returned failure # for request: vtkInformation". See https://github.com/enthought/mayavi/issues/3 if self.burstpoint_glyphs is None: self.burstpoint_glyphs = self.scene.mlab.points3d(self.sel_x, self.sel_y, self.sel_z, ones_like(self.sel_x), color=(1, 1, 1), scale_factor=0.75) else: self.burstpoint_glyphs.mlab_source.set(x=self.sel_x, y=self.sel_y, z=self.sel_z, scalars=ones_like(self.sel_x)) # Here, we grab the points describing the individual glyph, to figure # out how many points are in an individual glyph. self.burstpoint_array = self.burstpoint_glyphs.glyph.glyph_source.glyph_source.output.points.to_array() @on_trait_change('scene.activated') def update_plot(self): """ Called after Mayavi window has been initialized, so 3D scene is ready to be graphed. """ model = self.model # noinspection PyProtectedMember self.scene.scene_editor._tool_bar.setVisible(False) self.scene.disable_render = True # generate scene more quickly by temporarily turning off rendering if model.pks is not None: self.plot_matrix_file() # matrix can be plotted if it was read in self.plot_srf_file() if model.blast_ids: self.plot_blast_volumes() self.plot_av() self.plot_munition() if model.sample_loc: self.plot_detail() self.axes = self.scene.mlab.orientation_axes(figure=self.scene.mayavi_scene) self.axes.visible = False self.scene.disable_render = False # reinstate display super(Plotter, self).update_plot() self.reset_view() def reset_view(self): """ Puts 3D camera back in default position. """ self.scene.mlab.view(azimuth=315, elevation=83, distance=self.model.volume_radius * 6, focalpoint=(0, 0, 20)) def top_view(self): self.scene.mlab.view(azimuth=270, elevation=0, distance=self.model.volume_radius * 12, focalpoint=(0, 0, 20)) def save_view_to_file(self, filename): self.scene.mlab.savefig(filename, figure=self.scene.mayavi_scene) def show_axes(self, state): """ Shows/hides 3D axis legend on the window. """ self.axes.visible = state def get_camera(self): return self.scene.camera def update_point_detail(self, az, points): """ Called when view selections are changed, and associated azimuth and sample/burst points need to be updated on next scene refresh. """ self.selected_az = az self.radius_points = points def set_av_callouts_visible(self, is_visible): """ Show/hide component AV callouts """ for c in self.av_callouts: c.visible = is_visible
bcorfman/stage
plot3d.py
Python
mit
19,592
[ "BLAST", "Mayavi", "VTK" ]
bf20a4e02cca054a3652d3b1b96a9cfa2aae117f205fb90c34bd13f0e06d910c
# -*- coding: utf-8 -*- """ Created on Wed May 20 11:42:42 2015 @author: admin """ import h5py import os import numpy as np def getSignals(fileName,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') #channel=tdms_file.object('PXI M6251','Lang_U') liste=[] hdf5.visit(liste.append) liste2=[x for x in liste if isinstance(hdf5[x],h5py.Dataset)] print liste2 hdf5.close() return liste2 def getAttributes(fileName,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') #channel=tdms_file.object('PXI M6251','Lang_U') liste=[] hdf5.visit(liste.append) liste2=[hdf5[x].attrs.keys() for x in liste if isinstance(hdf5[x],h5py.Group)] hdf5.close() return liste2 def getOverview(fileName,item,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') if hdf5[item].parent.name=='/S7': data=np.array(hdf5[item])[-100:-1] time=np.array(hdf5['S7/Time'])[-100:-1]/1000 sampling=1/(time[1]-time[0]) else: data=hdf5[item] sampling=hdf5[item].parent.attrs['sampling'] time=np.linspace(0,len(data)-1,num=len(data))/(sampling) return time,data hdf5.close() def getData(fileName,item,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') par=hdf5[item].parent.name if par=='/S7': data=np.array(hdf5[item])[-100:-1] time=np.array(hdf5[par[1:]+'/Time'])[-100:-1]/1000 sampling=1/(time[1]-time[0]) elif par=='/Process': data=np.array(hdf5[item]) time=np.array(hdf5[par[1:]+'/Time']) sampling=1/(time[1]-time[0]) else: data=np.array(hdf5[item]) sampling=np.abs(hdf5[item].parent.attrs['sampling']) time=np.linspace(0,len(data)-1,num=len(data))/(sampling) hdf5.close() return time,data,sampling def saveData(fileName,item,data,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'a') group=hdf5['Process'] try: del group[item] except: pass group.create_dataset(item,data=data,compression="gzip") hdf5.close() return def getDataProcess(fileName,item,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') # group=hdf5['Process'] a=np.array(hdf5[item]) hdf5.close() return a def saveAttr(fileName,attributName,data,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'a') group=hdf5['Process'] group.attrs[attributName]=data hdf5.close() def getAttr(fileName,attributName,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') group=hdf5['Process'] aa=group.attrs[attributName] hdf5.close() return aa def getAttrlist(fileName,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') group=hdf5['Process'] string='' for x,y in zip(group.attrs.iterkeys(),group.attrs.itervalues()): string=string+str(x)+' : '+str(y)+'\n' hdf5.close() return string def getMultiData(fileName,item1,item2,env): path=env.path hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') data1=hdf5[item1] data2=hdf5[item2] sampling=np.abs(hdf5[item1].parent.attrs['sampling']) time=np.linspace(0,len(data1)-1,num=len(data1))/(sampling) return data1,data2,time,sampling hdf5.close() def getSummaryData(fileList,env): path=env.path shot=dict() for fileName in fileList: shotnumber=int(fileName[0:-5]) shot[shotnumber]=[fileName] print os.path.join(path,fileName+'.h5') hdf5=h5py.File(os.path.join(path,fileName+'.h5'),'r') group=hdf5['Process'] try: shot[shotnumber].append(group.attrs['date']) except: shot[shotnumber].append('') try: shot[shotnumber].append(group.attrs['program']) except: shot[shotnumber].append('') try: shot[shotnumber].append(group.attrs['programdesc']) except: shot[shotnumber].append('') try: shot[shotnumber].append(group.attrs['positionSpace']) except: shot[shotnumber].append(0.) try: shot[shotnumber].append(group.attrs['Gas']) except: shot[shotnumber].append('') try: shot[shotnumber].append(group.attrs['densityHP']) except: shot[shotnumber].append(0.) try: shot[shotnumber].append(group.attrs['densityLP']) except: shot[shotnumber].append(0.) try: shot[shotnumber].append(group.attrs['pressure']) except: shot[shotnumber].append(0.) try: shot[shotnumber].append(group.attrs['magnetic']) except: shot[shotnumber].append(0.) try: shot[shotnumber].append(group.attrs['comment']) except: shot[shotnumber].append('') hdf5.close() return shot #def name_dataset(name,obj): # if isinstance(obj,h5py.Dataset): # return obj # for name in hdf5: # return [hdf5[name].items() for name in hdf5]
albanatita/data-process
readHdf5.py
Python
gpl-2.0
5,726
[ "VisIt" ]
032b24c5c46ea2ec15bb2312598789cad870ee6f9a847870f27401ce85b651a2
#!/usr/bin/python # Htsnapp - create snapshots of websites from urls, nmap xml, and txr files. # Author - Nikhil Sreekumar # Contact: roo7break@gmail.com / @roo7break # Supports urls, files with urls, and nmap.xml files # Primary source for screenshot code: # PyWebShot - create webpage thumbnails. Originally based on # http://burtonini.com/computing/screenshot-tng.py # Ben Dowling - http://www.coderholic.com # License: # HTsnapp is licensed under the GNU-General Public License version 3 and later. # Please visit http://www.gnu.org/copyleft/gpl.html for more information import urlparse import os import sys try: import gtk from optparse import OptionParser import xml.dom.minidom as xmll import gtk.gdk as gdk import gobject import gtkmozembed except ImportError: print "Required modules are not installed. Please run with '-i or --install' with root privs" class PyWebShot: def __init__(self, urls, screen, thumbnail, delay, outfile, location): self.parent = gtk.Window(gtk.WINDOW_TOPLEVEL) self.parent.set_border_width(10) self.urls = urls self.delay = delay self.location = location # Get resoltion information (x,y) = screen.split('x') x = int(x) y = int(y) (t_x, t_y) = thumbnail.split('x') t_x = int(t_x) t_y = int(t_y) # Calculate the x scale factor scale_x = float(t_x) / x scale_y = float(t_y) / y self.t_x = t_x self.t_y = t_y self.scale = scale_x self.widget = gtkmozembed.MozEmbed() self.widget.set_size_request(x + 18, y) # Connect signal self.widget.connect("net_stop", self.on_net_stop) if outfile: (self.outfile_base, ignore) = outfile.split('.png') else: self.outfile_base = None self.parent.add(self.widget) self.url_num = 0 self.load_next_url() self.parent.show_all() def load_next_url(self): #print len(self.urls) #print self.url_num if self.url_num > len(self.urls) - 1: gtk.main_quit() return self.current_url = self.urls[self.url_num] self.countdown = self.delay print "Loading " + self.current_url + "..." self.url_num += 1 self.widget.load_url(self.current_url) def on_net_stop(self, data = None): if self.delay > 0: gobject.timeout_add(1500,self.do_countdown,self) else: self.do_countdown() def do_countdown(self, data = None): self.countdown -= 1 if(self.countdown > 0): return True else: self.screenshot() self.load_next_url() return False def screenshot(self, data = None): window = self.widget.window (x,y,width,height,depth) = window.get_geometry() width -= 16 pixbuf = gtk.gdk.Pixbuf(gtk.gdk.COLORSPACE_RGB,False,8,width,height) pixbuf.get_from_drawable(window,self.widget.get_colormap(),0,0,0,0,width,height) thumbnail = gtk.gdk.Pixbuf(gtk.gdk.COLORSPACE_RGB,False,8,self.t_x,self.t_y) pixbuf.scale(thumbnail, 0, 0, self.t_x, self.t_y, 0, 0, self.scale, self.scale, gdk.INTERP_HYPER) if self.outfile_base: if len(self.urls) == 1: filename = "%s.png" % (self.outfile_base) else: filename = "%s-%d.png" % (self.outfile_base, self.url_num) else: parts = urlparse.urlsplit(self.current_url) if ':' in parts.netloc: # replace : in netlocation to _ for filename support parts.netloc = parts.netloc.replace(':', '_') filename = parts.netloc + parts.path.replace('/', '.') + ".png" os.chdir(self.location) thumbnail.save(filename,"png") print "saved as " + filename return True def __windowExit(widget, data=None): gtk.main_quit() class HtSnapp(PyWebShot): def __init__(self, option): # Process input received from user # options.screen - Screen resolution # options.thumbnail - Thumbnail size # options.delay - Delay for page load # options.filename - Output filename. Default is by hostname # options.xml - Nmap XML file # options.note - File input with hosts # options.url - URL or URLs (separated by comma) # options.location - Directory location to save all the files print '''++++++++++++ Htsnapp (beta):: by Nikhil 'roo7break' Sreekumar ++++++++++++ contact: roo7break@gmail.com ''' option = option[0] self.max_pro = 5 # Max mumber of processes if option.instal: if self.installation(): print 'Installation complete' else: print 'Some error occured during installation.' sys.exit(1) if not os.path.exists(option.location): os.makedirs(option.location) if option.xml: # If there is value in XML nurl = self.nmapparser(option.xml) if PyWebShot.__init__(self,urls=nurl, screen=option.screen, thumbnail=option.thumbnail, delay=option.delay, outfile=option.filename, location=option.location): print "All done with xml" else: print "Something went wrong" elif option.note: # If there is value in file lurl = self.fileparse(option.note) if PyWebShot.__init__(self,urls=lurl, screen=option.screen, thumbnail=option.thumbnail, delay=option.delay, outfile=option.filename, location=option.location): print "All done with files" else: print "Something went wrong" else: if PyWebShot.__init__(self,urls=option.url, screen=option.screen, thumbnail=option.thumbnail, delay=option.delay, outfile=option.filename, location=option.location): print "All done with urls" else: print "Something went wrong" def installation(self): print "Installing WebKit libraries" os.system('sudo apt-get install python-webkit') print "------ Done ------" print "Installing XML libraries" os.system('sudo apt-get install python-libxml2') print "------ Done ------" print "Installing Embedded GTK libraries.." os.system('sudo apt-get install python-gtkmozembed') print "------ Done ------" def nmapparser(self, fxml): # Parse nmap xml for targets (http service) try: fp = xmll.parse(fxml) except Exception,e: print "Error ", e return [] listt = [] for hst in fp.getElementsByTagName('host'): for prt in hst.getElementsByTagName('port'): port = prt.getAttributeNode('portid').value for info in hst.getElementsByTagName('address'): typee = info.getAttributeNode('addrtype').value if typee == 'ipv4': ip = info.getAttributeNode('addr').value for ser in prt.getElementsByTagName('service'): if 'http' in ser.getAttributeNode('name').value: if port == '80': listt.append(ip) elif port == '443': listt.append('https://' + ip) else: listt.append(ip + ":" + port) return listt def fileparse(self, files): # Read file for targets in format ipaddress:port fl = open(files, 'r') listt = [] for target in fl.readlines(): target = target.strip('\n') if ":" in target: if target.split(":")[1] == '443': listt.append('https://' + target) else: listt.append(target) else: listt.append(target) return listt if __name__ == "__main__": parser = OptionParser(version='htsnapp v0.2', description = '''++++++++++++ Htsnapp (beta):: by Nikhil 'roo7break' Sreekumar ++++++++++++''') parser.add_option('-s', dest = 'screen', action='store', type='string', help='Screen resolution at which to capture the webpage (default %default)', default="1024x769") parser.add_option('-t', dest = 'thumbnail', action='store', type='string', help='Thumbnail resolution (default %default)', default="350x200") parser.add_option('-d', dest = 'delay', action='store', type='int', help='Delay in seconds to wait after page load before taking the screenshot (default %default)', default=0) parser.add_option('-f', dest = 'filename', action='store', type='string', help='PNG output filename with .png extension, otherwise default is based on url name and given a .png extension') parser.add_option('-x', dest = 'xml', action='store', type='string', help='Nmap XML file to parse', default='') parser.add_option('-r', dest = 'range', action='store', type='string', help='IP range to sweep. Provide port number', default='') parser.add_option('-p', dest = 'port', action='store', type='string', help='Port number to sweep on range', default='80') parser.add_option('-n', dest = 'note', action='store', type='string', help='File with targets:port', default='') parser.add_option('-u', dest = 'url', action='store', type='string', help='Provide single url or mulitple urls (separated by comma. no spaces.)', default='') parser.add_option('-l', dest = 'location', action='store', type='string', help='Directory location to save files', default=os.getcwd()) parser.add_option('-i', dest = 'instal', action='store_true', help='Install required dependencies') options = parser.parse_args() temp = [] if options[0].url: temp = options[0].url.split(',') options[0].url = [x.strip() for x in temp] print options[0].url snapp = HtSnapp(options) options = options[0] os.chdir(options.location) if options.url == None and options.xml == None and options.note == None: parser.error('No targets specified') gtk.main()
roo7break/HtSnapp
htsnapp.py
Python
gpl-3.0
8,944
[ "VisIt" ]
a6b2f4e11318dd5ee22b4761b4274bf4cc676524a10ce53c866e5e60600958a0
# -*- coding: utf-8 -*- import datetime from south.db import db from south.v2 import SchemaMigration from django.db import models class Migration(SchemaMigration): def forwards(self, orm): # Adding field 'ImmunizationHistory.tetanus_toxoid1' db.add_column(u'patient_immunizationhistory', 'tetanus_toxoid1', self.gf('django.db.models.fields.DateTimeField')(null=True), keep_default=False) # Adding field 'ImmunizationHistory.tetanus_toxoid2' db.add_column(u'patient_immunizationhistory', 'tetanus_toxoid2', self.gf('django.db.models.fields.DateTimeField')(null=True), keep_default=False) # Adding field 'ImmunizationHistory.tetanus_toxoid3' db.add_column(u'patient_immunizationhistory', 'tetanus_toxoid3', self.gf('django.db.models.fields.DateTimeField')(null=True), keep_default=False) def backwards(self, orm): # Deleting field 'ImmunizationHistory.tetanus_toxoid1' db.delete_column(u'patient_immunizationhistory', 'tetanus_toxoid1') # Deleting field 'ImmunizationHistory.tetanus_toxoid2' db.delete_column(u'patient_immunizationhistory', 'tetanus_toxoid2') # Deleting field 'ImmunizationHistory.tetanus_toxoid3' db.delete_column(u'patient_immunizationhistory', 'tetanus_toxoid3') models = { u'auth.group': { 'Meta': {'object_name': 'Group'}, u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'name': ('django.db.models.fields.CharField', [], {'unique': 'True', 'max_length': '80'}), 'permissions': ('django.db.models.fields.related.ManyToManyField', [], {'to': u"orm['auth.Permission']", 'symmetrical': 'False', 'blank': 'True'}) }, u'auth.permission': { 'Meta': {'ordering': "(u'content_type__app_label', u'content_type__model', u'codename')", 'unique_together': "((u'content_type', u'codename'),)", 'object_name': 'Permission'}, 'codename': ('django.db.models.fields.CharField', [], {'max_length': '100'}), 'content_type': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['contenttypes.ContentType']"}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'name': ('django.db.models.fields.CharField', [], {'max_length': '50'}) }, u'auth.user': { 'Meta': {'object_name': 'User'}, 'date_joined': ('django.db.models.fields.DateTimeField', [], {'default': 'datetime.datetime.now'}), 'email': ('django.db.models.fields.EmailField', [], {'max_length': '75', 'blank': 'True'}), 'first_name': ('django.db.models.fields.CharField', [], {'max_length': '30', 'blank': 'True'}), 'groups': ('django.db.models.fields.related.ManyToManyField', [], {'to': u"orm['auth.Group']", 'symmetrical': 'False', 'blank': 'True'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'is_active': ('django.db.models.fields.BooleanField', [], {'default': 'True'}), 'is_staff': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'is_superuser': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'last_login': ('django.db.models.fields.DateTimeField', [], {'default': 'datetime.datetime.now'}), 'last_name': ('django.db.models.fields.CharField', [], {'max_length': '30', 'blank': 'True'}), 'password': ('django.db.models.fields.CharField', [], {'max_length': '128'}), 'user_permissions': ('django.db.models.fields.related.ManyToManyField', [], {'to': u"orm['auth.Permission']", 'symmetrical': 'False', 'blank': 'True'}), 'username': ('django.db.models.fields.CharField', [], {'unique': 'True', 'max_length': '30'}) }, u'contenttypes.contenttype': { 'Meta': {'ordering': "('name',)", 'unique_together': "(('app_label', 'model'),)", 'object_name': 'ContentType', 'db_table': "'django_content_type'"}, 'app_label': ('django.db.models.fields.CharField', [], {'max_length': '100'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'model': ('django.db.models.fields.CharField', [], {'max_length': '100'}), 'name': ('django.db.models.fields.CharField', [], {'max_length': '100'}) }, u'patient.additionalpatientinformation': { 'Meta': {'object_name': 'AdditionalPatientInformation'}, 'alcohol': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'cigarettes': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'cooking_facilities': ('django.db.models.fields.CharField', [], {'max_length': '20'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'educational_level': ('django.db.models.fields.CharField', [], {'max_length': '2'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'literate': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'occupation': ('django.db.models.fields.CharField', [], {'max_length': '30'}), 'other_harmful_substances': ('django.db.models.fields.CharField', [], {'max_length': '50'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'psychological_stress': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'toilet_facilities': ('django.db.models.fields.CharField', [], {'max_length': '20'}) }, u'patient.familymedicalhistory': { 'HIV_status_if_known': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'Meta': {'object_name': 'FamilyMedicalHistory'}, 'chronical_renal_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date': ('django.db.models.fields.DateField', [], {}), 'diabetes_melitus': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'epilepsy': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'haemorrhage': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'heart_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'hepatitis': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'hypertension': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'kidney_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'liver_problems': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'malaria': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'others': ('django.db.models.fields.TextField', [], {'default': "''", 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'pelvic_backinjuries': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'rhesus_d_antibodies': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'seizures': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'sexually_transmitted_infection': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'sickle_cell_trait': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'tuberculosis': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'urinary_tract_surgeries': ('django.db.models.fields.BooleanField', [], {'default': 'False'}) }, u'patient.guardian': { 'Meta': {'object_name': 'Guardian'}, 'contact_number': ('django.db.models.fields.CharField', [], {'max_length': '15'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'educational_level': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'first_name': ('django.db.models.fields.CharField', [], {'max_length': '50'}), 'home_address': ('django.db.models.fields.TextField', [], {}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'job': ('django.db.models.fields.CharField', [], {'max_length': '20'}), 'last_name': ('django.db.models.fields.CharField', [], {'max_length': '50'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'relation': ('django.db.models.fields.CharField', [], {'max_length': '2'}) }, u'patient.gynaecologicalhistory': { 'Meta': {'object_name': 'GynaecologicalHistory'}, 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date_of_last_pap_smear': ('django.db.models.fields.DateField', [], {}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'method_of_birth_control': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'previous_surgery': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PreviousSurgery']"}), 'result_pap_smear': ('django.db.models.fields.CharField', [], {'max_length': '2'}) }, u'patient.immunizationhistory': { 'Meta': {'object_name': 'ImmunizationHistory'}, 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'tetanus_toxoid1': ('django.db.models.fields.DateTimeField', [], {'null': 'True'}), 'tetanus_toxoid2': ('django.db.models.fields.DateTimeField', [], {'null': 'True'}), 'tetanus_toxoid3': ('django.db.models.fields.DateTimeField', [], {'null': 'True'}), 'vaccination': ('django.db.models.fields.CharField', [], {'max_length': '2'}) }, u'patient.laboratorytest': { 'Meta': {'object_name': 'LaboratoryTest'}, 'blood_group': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date': ('django.db.models.fields.DateField', [], {}), 'hemoglobin': ('django.db.models.fields.CharField', [], {'max_length': '1'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'serological_test_for_syphilis': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'urinalysis': ('django.db.models.fields.CharField', [], {'max_length': '2'}) }, u'patient.medicalhistory': { 'Meta': {'object_name': 'MedicalHistory'}, 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'family_medical_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.FamilyMedicalHistory']"}), 'gynaecological_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.GynaecologicalHistory']"}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'immunization_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.ImmunizationHistory']"}), 'menstrual_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.MenstrualHistory']"}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'obstetric_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.ObstetricHistory']"}), 'past_medical_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PastMedicalHistory']"}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'present_medical_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PresentMedicalHistory']"}) }, u'patient.menstrualhistory': { 'Meta': {'object_name': 'MenstrualHistory'}, 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'day_of_visit': ('django.db.models.fields.DateField', [], {}), 'expected_date_of_delivery': ('django.db.models.fields.DateField', [], {}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'last_menstrual_periods': ('django.db.models.fields.DateField', [], {}), 'menstrual_cycle': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'poa_by_lmp': ('django.db.models.fields.CharField', [], {'max_length': '100'}) }, u'patient.obstetrichistory': { 'Meta': {'object_name': 'ObstetricHistory'}, 'check_if_you_have_been_miscarriages': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'check_if_you_have_been_pregnant': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'list_previous_obstetric_history': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PreviousObstetricHistory']"}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}) }, u'patient.pastmedicalhistory': { 'HIV_status_if_known': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'Meta': {'object_name': 'PastMedicalHistory'}, 'chronical_renal_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date': ('django.db.models.fields.DateField', [], {}), 'diabetes_melitus': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'epilepsy': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'haemorrhage': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'heart_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'hepatitis': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'hypertension': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'kidney_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'liver_problems': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'malaria': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'others': ('django.db.models.fields.TextField', [], {'default': "''", 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'pelvic_backinjuries': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'rhesus_d_antibodies': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'seizures': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'sexually_transmitted_infection': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'sickle_cell_trait': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'tuberculosis': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'urinary_tract_surgeries': ('django.db.models.fields.BooleanField', [], {'default': 'False'}) }, u'patient.patientinformation': { 'Meta': {'object_name': 'PatientInformation'}, 'address': ('django.db.models.fields.TextField', [], {}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date_of_birth': ('django.db.models.fields.DateField', [], {}), 'email': ('django.db.models.fields.EmailField', [], {'max_length': '75'}), 'first_name': ('django.db.models.fields.CharField', [], {'max_length': '50'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'last_name': ('django.db.models.fields.CharField', [], {'max_length': '50'}), 'marital_status': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'operator': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['auth.User']"}), 'telephone_number': ('django.db.models.fields.CharField', [], {'max_length': '15'}) }, u'patient.prescription': { 'Meta': {'object_name': 'Prescription'}, 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date': ('django.db.models.fields.DateField', [], {}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'name_of_prescription': ('django.db.models.fields.TextField', [], {}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}) }, u'patient.presentmedicalhistory': { 'HIV_status_if_known': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'Meta': {'object_name': 'PresentMedicalHistory'}, 'chronical_renal_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date': ('django.db.models.fields.DateField', [], {}), 'diabetes_melitus': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'epilepsy': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'haemorrhage': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'heart_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'hepatitis': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'hypertension': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'kidney_disease': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'liver_problems': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'malaria': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'others': ('django.db.models.fields.TextField', [], {'default': "''", 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'pelvic_backinjuries': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'rhesus_d_antibodies': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'seizures': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'sexually_transmitted_infection': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'sickle_cell_trait': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'tuberculosis': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'urinary_tract_surgeries': ('django.db.models.fields.BooleanField', [], {'default': 'False'}) }, u'patient.previousobstetrichistory': { 'Meta': {'object_name': 'PreviousObstetricHistory'}, 'age_of_baby': ('django.db.models.fields.CharField', [], {'max_length': '30'}), 'birth_weight': ('django.db.models.fields.CharField', [], {'max_length': '50'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'length_of_pregnancy': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'name_of_baby': ('django.db.models.fields.CharField', [], {'max_length': '30'}), 'obstetrical_operation': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'periods_of_exclusive_feeding': ('django.db.models.fields.CharField', [], {'max_length': '30'}), 'problems': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'sex': ('django.db.models.fields.CharField', [], {'max_length': '1'}), 'types_of_delivery': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'year': ('django.db.models.fields.DateField', [], {}) }, u'patient.previoussurgery': { 'Meta': {'object_name': 'PreviousSurgery'}, 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'endometriosis': ('django.db.models.fields.BooleanField', [], {'default': 'True'}), 'fibrocystic_breasts': ('django.db.models.fields.BooleanField', [], {'default': 'True'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'others_please_state': ('django.db.models.fields.CharField', [], {'max_length': '20'}), 'ovarian_cysts': ('django.db.models.fields.BooleanField', [], {'default': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'uterine_fibroids': ('django.db.models.fields.BooleanField', [], {'default': 'True'}) }, u'patient.report': { 'Meta': {'object_name': 'Report'}, 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'diabetis': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), 'hiv': ('django.db.models.fields.BooleanField', [], {'default': 'False'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'pregnancy': ('django.db.models.fields.BooleanField', [], {'default': 'False'}) }, u'patient.routinecheckup': { 'Meta': {'object_name': 'Routinecheckup'}, 'abdominal_changes': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'blood_pressure': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'chest_and_heart_auscultation': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date': ('django.db.models.fields.DateField', [], {}), 'fetal_movement': ('django.db.models.fields.CharField', [], {'max_length': '300'}), 'height': ('django.db.models.fields.CharField', [], {'max_length': '200'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'name_of_examiner': ('django.db.models.fields.CharField', [], {'max_length': '50'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'symptom_events': ('django.db.models.fields.CharField', [], {'max_length': '300'}), 'uterine_height': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'vaginal_examination': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'visit': ('django.db.models.fields.CharField', [], {'max_length': '2'}), 'weight': ('django.db.models.fields.CharField', [], {'max_length': '200'}) }, u'patient.signanaemia': { 'Meta': {'object_name': 'Signanaemia'}, 'conjunctiva': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'fingernails': ('django.db.models.fields.CharField', [], {'max_length': '200'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'oral_mucosa': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'others_please_state': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'pale_complexion': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'shortness_of_breath': ('django.db.models.fields.CharField', [], {'max_length': '200'}), 'tip_of_tongue': ('django.db.models.fields.CharField', [], {'max_length': '200'}) }, u'patient.ultrasoundscanning': { 'AC': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'BPD': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'CRL': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'FL': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'HC': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'Meta': {'object_name': 'UltrasoundScanning'}, 'amount_of_amniotic_fluid': ('django.db.models.fields.IntegerField', [], {'max_length': '10'}), 'created': ('django.db.models.fields.DateTimeField', [], {'auto_now_add': 'True', 'blank': 'True'}), 'date': ('django.db.models.fields.DateField', [], {}), 'gestation_age': ('django.db.models.fields.CharField', [], {'max_length': '40'}), u'id': ('django.db.models.fields.AutoField', [], {'primary_key': 'True'}), 'modified': ('django.db.models.fields.DateTimeField', [], {'auto_now': 'True', 'blank': 'True'}), 'name_examiner': ('django.db.models.fields.CharField', [], {'max_length': '40'}), 'patient': ('django.db.models.fields.related.ForeignKey', [], {'to': u"orm['patient.PatientInformation']"}), 'position_of_the_baby': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'position_of_the_placenta': ('django.db.models.fields.CharField', [], {'max_length': '10'}), 'saved_ultrasound_image': ('django.db.models.fields.files.FileField', [], {'max_length': '100', 'null': 'True', 'blank': 'True'}) } } complete_apps = ['patient']
aazhbd/medical_info01
patient/migrations/0017_auto__add_field_immunizationhistory_tetanus_toxoid1__add_field_immuniz.py
Python
bsd-3-clause
30,488
[ "VisIt" ]
72256e63d9cc3e3e70043d2e594489d7361cbddb57b37c1dd90159219fbecd9d
from __future__ import division, generators import math, sys, warnings, datetime, new import numpy as np from numpy import ma import matplotlib rcParams = matplotlib.rcParams import matplotlib.artist as martist import matplotlib.axis as maxis import matplotlib.cbook as cbook import matplotlib.collections as mcoll import matplotlib.colors as mcolors import matplotlib.contour as mcontour import matplotlib.dates as mdates import matplotlib.font_manager as font_manager import matplotlib.image as mimage import matplotlib.legend as mlegend import matplotlib.lines as mlines import matplotlib.mlab as mlab import matplotlib.patches as mpatches import matplotlib.quiver as mquiver import matplotlib.scale as mscale import matplotlib.table as mtable import matplotlib.text as mtext import matplotlib.ticker as mticker import matplotlib.transforms as mtransforms iterable = cbook.iterable is_string_like = cbook.is_string_like def _process_plot_format(fmt): """ Process a matlab(TM) style color/line style format string. Return a (*linestyle*, *color*) tuple as a result of the processing. Default values are ('-', 'b'). Example format strings include: * 'ko': black circles * '.b': blue dots * 'r--': red dashed lines .. seealso:: :func:`~matplotlib.Line2D.lineStyles` and :func:`~matplotlib.pyplot.colors`: for all possible styles and color format string. """ linestyle = None marker = None color = None # Is fmt just a colorspec? try: color = mcolors.colorConverter.to_rgb(fmt) return linestyle, marker, color # Yes. except ValueError: pass # No, not just a color. # handle the multi char special cases and strip them from the # string if fmt.find('--')>=0: linestyle = '--' fmt = fmt.replace('--', '') if fmt.find('-.')>=0: linestyle = '-.' fmt = fmt.replace('-.', '') if fmt.find(' ')>=0: linestyle = 'None' fmt = fmt.replace(' ', '') chars = [c for c in fmt] for c in chars: if c in mlines.lineStyles: if linestyle is not None: raise ValueError( 'Illegal format string "{0!s}"; two linestyle symbols'.format(fmt)) linestyle = c elif c in mlines.lineMarkers: if marker is not None: raise ValueError( 'Illegal format string "{0!s}"; two marker symbols'.format(fmt)) marker = c elif c in mcolors.colorConverter.colors: if color is not None: raise ValueError( 'Illegal format string "{0!s}"; two color symbols'.format(fmt)) color = c else: raise ValueError( 'Unrecognized character %c in format string' % c) if linestyle is None and marker is None: linestyle = rcParams['lines.linestyle'] if linestyle is None: linestyle = 'None' if marker is None: marker = 'None' return linestyle, marker, color def set_default_color_cycle(clist): """ Change the default cycle of colors that will be used by the plot command. This must be called before creating the :class:`Axes` to which it will apply; it will apply to all future axes. *clist* is a sequence of mpl color specifiers """ _process_plot_var_args.defaultColors = clist[:] rcParams['lines.color'] = clist[0] class _process_plot_var_args: """ Process variable length arguments to the plot command, so that plot commands like the following are supported:: plot(t, s) plot(t1, s1, t2, s2) plot(t1, s1, 'ko', t2, s2) plot(t1, s1, 'ko', t2, s2, 'r--', t3, e3) an arbitrary number of *x*, *y*, *fmt* are allowed """ defaultColors = ['b','g','r','c','m','y','k'] def __init__(self, axes, command='plot'): self.axes = axes self.command = command self._clear_color_cycle() def _clear_color_cycle(self): self.colors = _process_plot_var_args.defaultColors[:] # if the default line color is a color format string, move it up # in the que try: ind = self.colors.index(rcParams['lines.color']) except ValueError: self.firstColor = rcParams['lines.color'] else: self.colors[0], self.colors[ind] = self.colors[ind], self.colors[0] self.firstColor = self.colors[0] self.Ncolors = len(self.colors) self.count = 0 def set_color_cycle(self, clist): self.colors = clist[:] self.firstColor = self.colors[0] self.Ncolors = len(self.colors) self.count = 0 def _get_next_cycle_color(self): if self.count==0: color = self.firstColor else: color = self.colors[int(self.count % self.Ncolors)] self.count += 1 return color def __call__(self, *args, **kwargs): if self.axes.xaxis is not None and self.axes.yaxis is not None: xunits = kwargs.pop( 'xunits', self.axes.xaxis.units) yunits = kwargs.pop( 'yunits', self.axes.yaxis.units) if xunits!=self.axes.xaxis.units: self.axes.xaxis.set_units(xunits) if yunits!=self.axes.yaxis.units: self.axes.yaxis.set_units(yunits) ret = self._grab_next_args(*args, **kwargs) return ret def set_lineprops(self, line, **kwargs): assert self.command == 'plot', 'set_lineprops only works with "plot"' for key, val in kwargs.items(): funcName = "set_{0!s}".format(key) if not hasattr(line,funcName): raise TypeError, 'There is no line property "{0!s}"'.format(key) func = getattr(line,funcName) func(val) def set_patchprops(self, fill_poly, **kwargs): assert self.command == 'fill', 'set_patchprops only works with "fill"' for key, val in kwargs.items(): funcName = "set_{0!s}".format(key) if not hasattr(fill_poly,funcName): raise TypeError, 'There is no patch property "{0!s}"'.format(key) func = getattr(fill_poly,funcName) func(val) def _xy_from_y(self, y): if self.axes.yaxis is not None: b = self.axes.yaxis.update_units(y) if b: return np.arange(len(y)), y, False if not ma.isMaskedArray(y): y = np.asarray(y) if len(y.shape) == 1: y = y[:,np.newaxis] nr, nc = y.shape x = np.arange(nr) if len(x.shape) == 1: x = x[:,np.newaxis] return x,y, True def _xy_from_xy(self, x, y): if self.axes.xaxis is not None and self.axes.yaxis is not None: bx = self.axes.xaxis.update_units(x) by = self.axes.yaxis.update_units(y) # right now multicol is not supported if either x or y are # unit enabled but this can be fixed.. if bx or by: return x, y, False x = ma.asarray(x) y = ma.asarray(y) if len(x.shape) == 1: x = x[:,np.newaxis] if len(y.shape) == 1: y = y[:,np.newaxis] nrx, ncx = x.shape nry, ncy = y.shape assert nrx == nry, 'Dimensions of x and y are incompatible' if ncx == ncy: return x, y, True if ncx == 1: x = np.repeat(x, ncy, axis=1) if ncy == 1: y = np.repeat(y, ncx, axis=1) assert x.shape == y.shape, 'Dimensions of x and y are incompatible' return x, y, True def _plot_1_arg(self, y, **kwargs): assert self.command == 'plot', 'fill needs at least 2 arguments' ret = [] x, y, multicol = self._xy_from_y(y) if multicol: for j in xrange(y.shape[1]): color = self._get_next_cycle_color() seg = mlines.Line2D(x, y[:,j], color = color, axes=self.axes, ) self.set_lineprops(seg, **kwargs) ret.append(seg) else: color = self._get_next_cycle_color() seg = mlines.Line2D(x, y, color = color, axes=self.axes, ) self.set_lineprops(seg, **kwargs) ret.append(seg) return ret def _plot_2_args(self, tup2, **kwargs): ret = [] if is_string_like(tup2[1]): assert self.command == 'plot', ('fill needs at least 2 non-string ' 'arguments') y, fmt = tup2 x, y, multicol = self._xy_from_y(y) linestyle, marker, color = _process_plot_format(fmt) def makeline(x, y): _color = color if _color is None: _color = self._get_next_cycle_color() seg = mlines.Line2D(x, y, color=_color, linestyle=linestyle, marker=marker, axes=self.axes, ) self.set_lineprops(seg, **kwargs) ret.append(seg) if multicol: for j in xrange(y.shape[1]): makeline(x[:,j], y[:,j]) else: makeline(x, y) return ret else: x, y = tup2 x, y, multicol = self._xy_from_xy(x, y) def makeline(x, y): color = self._get_next_cycle_color() seg = mlines.Line2D(x, y, color=color, axes=self.axes, ) self.set_lineprops(seg, **kwargs) ret.append(seg) def makefill(x, y): x = self.axes.convert_xunits(x) y = self.axes.convert_yunits(y) facecolor = self._get_next_cycle_color() seg = mpatches.Polygon(np.hstack( (x[:,np.newaxis],y[:,np.newaxis])), facecolor = facecolor, fill=True, closed=closed ) self.set_patchprops(seg, **kwargs) ret.append(seg) if self.command == 'plot': func = makeline else: closed = kwargs.get('closed', True) func = makefill if multicol: for j in xrange(y.shape[1]): func(x[:,j], y[:,j]) else: func(x, y) return ret def _plot_3_args(self, tup3, **kwargs): ret = [] x, y, fmt = tup3 x, y, multicol = self._xy_from_xy(x, y) linestyle, marker, color = _process_plot_format(fmt) def makeline(x, y): _color = color if _color is None: _color = self._get_next_cycle_color() seg = mlines.Line2D(x, y, color=_color, linestyle=linestyle, marker=marker, axes=self.axes, ) self.set_lineprops(seg, **kwargs) ret.append(seg) def makefill(x, y): facecolor = color x = self.axes.convert_xunits(x) y = self.axes.convert_yunits(y) seg = mpatches.Polygon(np.hstack( (x[:,np.newaxis],y[:,np.newaxis])), facecolor = facecolor, fill=True, closed=closed ) self.set_patchprops(seg, **kwargs) ret.append(seg) if self.command == 'plot': func = makeline else: closed = kwargs.get('closed', True) func = makefill if multicol: for j in xrange(y.shape[1]): func(x[:,j], y[:,j]) else: func(x, y) return ret def _grab_next_args(self, *args, **kwargs): remaining = args while 1: if len(remaining)==0: return if len(remaining)==1: for seg in self._plot_1_arg(remaining[0], **kwargs): yield seg remaining = [] continue if len(remaining)==2: for seg in self._plot_2_args(remaining, **kwargs): yield seg remaining = [] continue if len(remaining)==3: if not is_string_like(remaining[2]): raise ValueError, 'third arg must be a format string' for seg in self._plot_3_args(remaining, **kwargs): yield seg remaining=[] continue if is_string_like(remaining[2]): for seg in self._plot_3_args(remaining[:3], **kwargs): yield seg remaining=remaining[3:] else: for seg in self._plot_2_args(remaining[:2], **kwargs): yield seg remaining=remaining[2:] class Axes(martist.Artist): """ The :class:`Axes` contains most of the figure elements: :class:`~matplotlib.axis.Axis`, :class:`~matplotlib.axis.Tick`, :class:`~matplotlib.lines.Line2D`, :class:`~matplotlib.text.Text`, :class:`~matplotlib.patches.Polygon`, etc., and sets the coordinate system. The :class:`Axes` instance supports callbacks through a callbacks attribute which is a :class:`~matplotlib.cbook.CallbackRegistry` instance. The events you can connect to are 'xlim_changed' and 'ylim_changed' and the callback will be called with func(*ax*) where *ax* is the :class:`Axes` instance. """ name = "rectilinear" _shared_x_axes = cbook.Grouper() _shared_y_axes = cbook.Grouper() def __str__(self): return "Axes({0:g},{1:g};{2:g}x{3:g})".format(*tuple(self._position.bounds)) def __init__(self, fig, rect, axisbg = None, # defaults to rc axes.facecolor frameon = True, sharex=None, # use Axes instance's xaxis info sharey=None, # use Axes instance's yaxis info label='', **kwargs ): """ Build an :class:`Axes` instance in :class:`~matplotlib.figure.Figure` *fig* with *rect=[left, bottom, width, height]* in :class:`~matplotlib.figure.Figure` coordinates Optional keyword arguments: ================ ========================================= Keyword Description ================ ========================================= *adjustable* [ 'box' | 'datalim' ] *alpha* float: the alpha transparency *anchor* [ 'C', 'SW', 'S', 'SE', 'E', 'NE', 'N', 'NW', 'W' ] *aspect* [ 'auto' | 'equal' | aspect_ratio ] *autoscale_on* [ *True* | *False* ] whether or not to autoscale the *viewlim* *axis_bgcolor* any matplotlib color, see :func:`~matplotlib.pyplot.colors` *axisbelow* draw the grids and ticks below the other artists *cursor_props* a (*float*, *color*) tuple *figure* a :class:`~matplotlib.figure.Figure` instance *frame_on* a boolean - draw the axes frame *label* the axes label *navigate* [ *True* | *False* ] *navigate_mode* [ 'PAN' | 'ZOOM' | None ] the navigation toolbar button status *position* [left, bottom, width, height] in class:`~matplotlib.figure.Figure` coords *sharex* an class:`~matplotlib.axes.Axes` instance to share the x-axis with *sharey* an class:`~matplotlib.axes.Axes` instance to share the y-axis with *title* the title string *visible* [ *True* | *False* ] whether the axes is visible *xlabel* the xlabel *xlim* (*xmin*, *xmax*) view limits *xscale* [{scale!s}] *xticklabels* sequence of strings *xticks* sequence of floats *ylabel* the ylabel strings *ylim* (*ymin*, *ymax*) view limits *yscale* [{scale!s}] *yticklabels* sequence of strings *yticks* sequence of floats ================ ========================================= """.format(**{'scale': ' | '.join([repr(x) for x in mscale.get_scale_names()])}) martist.Artist.__init__(self) if isinstance(rect, mtransforms.Bbox): self._position = rect else: self._position = mtransforms.Bbox.from_bounds(*rect) self._originalPosition = self._position.frozen() self.set_axes(self) self.set_aspect('auto') self._adjustable = 'box' self.set_anchor('C') self._sharex = sharex self._sharey = sharey if sharex is not None: self._shared_x_axes.join(self, sharex) if sharex._adjustable == 'box': sharex._adjustable = 'datalim' #warnings.warn( # 'shared axes: "adjustable" is being changed to "datalim"') self._adjustable = 'datalim' if sharey is not None: self._shared_y_axes.join(self, sharey) if sharey._adjustable == 'box': sharey._adjustable = 'datalim' #warnings.warn( # 'shared axes: "adjustable" is being changed to "datalim"') self._adjustable = 'datalim' self.set_label(label) self.set_figure(fig) # this call may differ for non-sep axes, eg polar self._init_axis() if axisbg is None: axisbg = rcParams['axes.facecolor'] self._axisbg = axisbg self._frameon = frameon self._axisbelow = rcParams['axes.axisbelow'] self._hold = rcParams['axes.hold'] self._connected = {} # a dict from events to (id, func) self.cla() # funcs used to format x and y - fall back on major formatters self.fmt_xdata = None self.fmt_ydata = None self.set_cursor_props((1,'k')) # set the cursor properties for axes self._cachedRenderer = None self.set_navigate(True) self.set_navigate_mode(None) if len(kwargs): martist.setp(self, **kwargs) if self.xaxis is not None: self._xcid = self.xaxis.callbacks.connect('units finalize', self.relim) if self.yaxis is not None: self._ycid = self.yaxis.callbacks.connect('units finalize', self.relim) def get_window_extent(self, *args, **kwargs): ''' get the axes bounding box in display space; *args* and *kwargs* are empty ''' return self.bbox def _init_axis(self): "move this out of __init__ because non-separable axes don't use it" self.xaxis = maxis.XAxis(self) self.yaxis = maxis.YAxis(self) self._update_transScale() def set_figure(self, fig): """ Set the class:`~matplotlib.axes.Axes` figure accepts a class:`~matplotlib.figure.Figure` instance """ martist.Artist.set_figure(self, fig) self.bbox = mtransforms.TransformedBbox(self._position, fig.transFigure) #these will be updated later as data is added self.dataLim = mtransforms.Bbox.unit() self.viewLim = mtransforms.Bbox.unit() self.transScale = mtransforms.TransformWrapper( mtransforms.IdentityTransform()) self._set_lim_and_transforms() def _set_lim_and_transforms(self): """ set the *dataLim* and *viewLim* :class:`~matplotlib.transforms.Bbox` attributes and the *transScale*, *transData*, *transLimits* and *transAxes* transformations. """ self.transAxes = mtransforms.BboxTransformTo(self.bbox) # Transforms the x and y axis separately by a scale factor # It is assumed that this part will have non-linear components self.transScale = mtransforms.TransformWrapper( mtransforms.IdentityTransform()) # An affine transformation on the data, generally to limit the # range of the axes self.transLimits = mtransforms.BboxTransformFrom( mtransforms.TransformedBbox(self.viewLim, self.transScale)) # The parentheses are important for efficiency here -- they # group the last two (which are usually affines) separately # from the first (which, with log-scaling can be non-affine). self.transData = self.transScale + (self.transLimits + self.transAxes) self._xaxis_transform = mtransforms.blended_transform_factory( self.axes.transData, self.axes.transAxes) self._yaxis_transform = mtransforms.blended_transform_factory( self.axes.transAxes, self.axes.transData) def get_xaxis_transform(self): """ Get the transformation used for drawing x-axis labels, ticks and gridlines. The x-direction is in data coordinates and the y-direction is in axis coordinates. .. note:: This transformation is primarily used by the :class:`~matplotlib.axis.Axis` class, and is meant to be overridden by new kinds of projections that may need to place axis elements in different locations. """ return self._xaxis_transform def get_xaxis_text1_transform(self, pad_points): """ Get the transformation used for drawing x-axis labels, which will add the given amount of padding (in points) between the axes and the label. The x-direction is in data coordinates and the y-direction is in axis coordinates. Returns a 3-tuple of the form:: (transform, valign, halign) where *valign* and *halign* are requested alignments for the text. .. note:: This transformation is primarily used by the :class:`~matplotlib.axis.Axis` class, and is meant to be overridden by new kinds of projections that may need to place axis elements in different locations. """ return (self._xaxis_transform + mtransforms.ScaledTranslation(0, -1 * pad_points / 72.0, self.figure.dpi_scale_trans), "top", "center") def get_xaxis_text2_transform(self, pad_points): """ Get the transformation used for drawing the secondary x-axis labels, which will add the given amount of padding (in points) between the axes and the label. The x-direction is in data coordinates and the y-direction is in axis coordinates. Returns a 3-tuple of the form:: (transform, valign, halign) where *valign* and *halign* are requested alignments for the text. .. note:: This transformation is primarily used by the :class:`~matplotlib.axis.Axis` class, and is meant to be overridden by new kinds of projections that may need to place axis elements in different locations. """ return (self._xaxis_transform + mtransforms.ScaledTranslation(0, pad_points / 72.0, self.figure.dpi_scale_trans), "bottom", "center") def get_yaxis_transform(self): """ Get the transformation used for drawing y-axis labels, ticks and gridlines. The x-direction is in axis coordinates and the y-direction is in data coordinates. .. note:: This transformation is primarily used by the :class:`~matplotlib.axis.Axis` class, and is meant to be overridden by new kinds of projections that may need to place axis elements in different locations. """ return self._yaxis_transform def get_yaxis_text1_transform(self, pad_points): """ Get the transformation used for drawing y-axis labels, which will add the given amount of padding (in points) between the axes and the label. The x-direction is in axis coordinates and the y-direction is in data coordinates. Returns a 3-tuple of the form:: (transform, valign, halign) where *valign* and *halign* are requested alignments for the text. .. note:: This transformation is primarily used by the :class:`~matplotlib.axis.Axis` class, and is meant to be overridden by new kinds of projections that may need to place axis elements in different locations. """ return (self._yaxis_transform + mtransforms.ScaledTranslation(-1 * pad_points / 72.0, 0, self.figure.dpi_scale_trans), "center", "right") def get_yaxis_text2_transform(self, pad_points): """ Get the transformation used for drawing the secondary y-axis labels, which will add the given amount of padding (in points) between the axes and the label. The x-direction is in axis coordinates and the y-direction is in data coordinates. Returns a 3-tuple of the form:: (transform, valign, halign) where *valign* and *halign* are requested alignments for the text. .. note:: This transformation is primarily used by the :class:`~matplotlib.axis.Axis` class, and is meant to be overridden by new kinds of projections that may need to place axis elements in different locations. """ return (self._yaxis_transform + mtransforms.ScaledTranslation(pad_points / 72.0, 0, self.figure.dpi_scale_trans), "center", "left") def _update_transScale(self): self.transScale.set( mtransforms.blended_transform_factory( self.xaxis.get_transform(), self.yaxis.get_transform())) if hasattr(self, "lines"): for line in self.lines: line._transformed_path.invalidate() def get_position(self, original=False): 'Return the a copy of the axes rectangle as a Bbox' if original: return self._originalPosition.frozen() else: return self._position.frozen() def set_position(self, pos, which='both'): """ Set the axes position with:: pos = [left, bottom, width, height] in relative 0,1 coords, or *pos* can be a :class:`~matplotlib.transforms.Bbox` There are two position variables: one which is ultimately used, but which may be modified by :meth:`apply_aspect`, and a second which is the starting point for :meth:`apply_aspect`. Optional keyword arguments: *which* ========== ==================== value description ========== ==================== 'active' to change the first 'original' to change the second 'both' to change both ========== ==================== """ if not isinstance(pos, mtransforms.BboxBase): pos = mtransforms.Bbox.from_bounds(*pos) if which in ('both', 'active'): self._position.set(pos) if which in ('both', 'original'): self._originalPosition.set(pos) def reset_position(self): 'Make the original position the active position' pos = self.get_position(original=True) self.set_position(pos, which='active') def _set_artist_props(self, a): 'set the boilerplate props for artists added to axes' a.set_figure(self.figure) if not a.is_transform_set(): a.set_transform(self.transData) a.set_axes(self) def _gen_axes_patch(self): """ Returns the patch used to draw the background of the axes. It is also used as the clipping path for any data elements on the axes. In the standard axes, this is a rectangle, but in other projections it may not be. .. note:: Intended to be overridden by new projection types. """ return mpatches.Rectangle((0.0, 0.0), 1.0, 1.0) def cla(self): 'Clear the current axes' # Note: this is called by Axes.__init__() self.xaxis.cla() self.yaxis.cla() self.ignore_existing_data_limits = True self.callbacks = cbook.CallbackRegistry(('xlim_changed', 'ylim_changed')) if self._sharex is not None: # major and minor are class instances with # locator and formatter attributes self.xaxis.major = self._sharex.xaxis.major self.xaxis.minor = self._sharex.xaxis.minor x0, x1 = self._sharex.get_xlim() self.set_xlim(x0, x1, emit=False) self.xaxis.set_scale(self._sharex.xaxis.get_scale()) else: self.xaxis.set_scale('linear') if self._sharey is not None: self.yaxis.major = self._sharey.yaxis.major self.yaxis.minor = self._sharey.yaxis.minor y0, y1 = self._sharey.get_ylim() self.set_ylim(y0, y1, emit=False) self.yaxis.set_scale(self._sharey.yaxis.get_scale()) else: self.yaxis.set_scale('linear') self._autoscaleon = True self._update_transScale() # needed? self._get_lines = _process_plot_var_args(self) self._get_patches_for_fill = _process_plot_var_args(self, 'fill') self._gridOn = rcParams['axes.grid'] self.lines = [] self.patches = [] self.texts = [] self.tables = [] self.artists = [] self.images = [] self.legend_ = None self.collections = [] # collection.Collection instances self.grid(self._gridOn) props = font_manager.FontProperties(size=rcParams['axes.titlesize']) self.titleOffsetTrans = mtransforms.ScaledTranslation( 0.0, 5.0 / 72.0, self.figure.dpi_scale_trans) self.title = mtext.Text( x=0.5, y=1.0, text='', fontproperties=props, verticalalignment='bottom', horizontalalignment='center', ) self.title.set_transform(self.transAxes + self.titleOffsetTrans) self.title.set_clip_box(None) self._set_artist_props(self.title) # the patch draws the background of the axes. we want this to # be below the other artists; the axesPatch name is # deprecated. We use the frame to draw the edges so we are # setting the edgecolor to None self.patch = self.axesPatch = self._gen_axes_patch() self.patch.set_figure(self.figure) self.patch.set_facecolor(self._axisbg) self.patch.set_edgecolor('None') self.patch.set_linewidth(0) self.patch.set_transform(self.transAxes) # the frame draws the border around the axes and we want this # above. this is a place holder for a more sophisticated # artist that might just draw a left, bottom frame, or a # centered frame, etc the axesFrame name is deprecated self.frame = self.axesFrame = self._gen_axes_patch() self.frame.set_figure(self.figure) self.frame.set_facecolor('none') self.frame.set_edgecolor(rcParams['axes.edgecolor']) self.frame.set_linewidth(rcParams['axes.linewidth']) self.frame.set_transform(self.transAxes) self.frame.set_zorder(2.5) self.axison = True self.xaxis.set_clip_path(self.patch) self.yaxis.set_clip_path(self.patch) self._shared_x_axes.clean() self._shared_y_axes.clean() def clear(self): 'clear the axes' self.cla() def set_color_cycle(self, clist): """ Set the color cycle for any future plot commands on this Axes. clist is a list of mpl color specifiers. """ self._get_lines.set_color_cycle(clist) def ishold(self): 'return the HOLD status of the axes' return self._hold def hold(self, b=None): """ call signature:: hold(b=None) Set the hold state. If *hold* is *None* (default), toggle the *hold* state. Else set the *hold* state to boolean value *b*. Examples: * toggle hold: >>> hold() * turn hold on: >>> hold(True) * turn hold off >>> hold(False) When hold is True, subsequent plot commands will be added to the current axes. When hold is False, the current axes and figure will be cleared on the next plot command """ if b is None: self._hold = not self._hold else: self._hold = b def get_aspect(self): return self._aspect def set_aspect(self, aspect, adjustable=None, anchor=None): """ *aspect* ======== ================================================ value description ======== ================================================ 'auto' automatic; fill position rectangle with data 'normal' same as 'auto'; deprecated 'equal' same scaling from data to plot units for x and y num a circle will be stretched such that the height is num times the width. aspect=1 is the same as aspect='equal'. ======== ================================================ *adjustable* ========= ============================ value description ========= ============================ 'box' change physical size of axes 'datalim' change xlim or ylim ========= ============================ *anchor* ===== ===================== value description ===== ===================== 'C' centered 'SW' lower left corner 'S' middle of bottom edge 'SE' lower right corner etc. ===== ===================== """ if aspect in ('normal', 'auto'): self._aspect = 'auto' elif aspect == 'equal': self._aspect = 'equal' else: self._aspect = float(aspect) # raise ValueError if necessary if adjustable is not None: self.set_adjustable(adjustable) if anchor is not None: self.set_anchor(anchor) def get_adjustable(self): return self._adjustable def set_adjustable(self, adjustable): """ ACCEPTS: [ 'box' | 'datalim' ] """ if adjustable in ('box', 'datalim'): if self in self._shared_x_axes or self in self._shared_y_axes: if adjustable == 'box': raise ValueError( 'adjustable must be "datalim" for shared axes') self._adjustable = adjustable else: raise ValueError('argument must be "box", or "datalim"') def get_anchor(self): return self._anchor def set_anchor(self, anchor): """ *anchor* ===== ============ value description ===== ============ 'C' Center 'SW' bottom left 'S' bottom 'SE' bottom right 'E' right 'NE' top right 'N' top 'NW' top left 'W' left ===== ============ """ if anchor in mtransforms.Bbox.coefs.keys() or len(anchor) == 2: self._anchor = anchor else: raise ValueError('argument must be among {0!s}'.format( ', '.join(mtransforms.BBox.coefs.keys()))) def get_data_ratio(self): """ Returns the aspect ratio of the raw data. This method is intended to be overridden by new projection types. """ xmin,xmax = self.get_xbound() xsize = max(math.fabs(xmax-xmin), 1e-30) ymin,ymax = self.get_ybound() ysize = max(math.fabs(ymax-ymin), 1e-30) return ysize/xsize def apply_aspect(self, position=None): ''' Use :meth:`_aspect` and :meth:`_adjustable` to modify the axes box or the view limits. ''' if position is None: position = self.get_position(original=True) aspect = self.get_aspect() if aspect == 'auto': self.set_position( position , which='active') return if aspect == 'equal': A = 1 else: A = aspect #Ensure at drawing time that any Axes involved in axis-sharing # does not have its position changed. if self in self._shared_x_axes or self in self._shared_y_axes: if self._adjustable == 'box': self._adjustable = 'datalim' warnings.warn( 'shared axes: "adjustable" is being changed to "datalim"') figW,figH = self.get_figure().get_size_inches() fig_aspect = figH/figW if self._adjustable == 'box': box_aspect = A * self.get_data_ratio() pb = position.frozen() pb1 = pb.shrunk_to_aspect(box_aspect, pb, fig_aspect) self.set_position(pb1.anchored(self.get_anchor(), pb), 'active') return # reset active to original in case it had been changed # by prior use of 'box' self.set_position(position, which='active') xmin,xmax = self.get_xbound() xsize = max(math.fabs(xmax-xmin), 1e-30) ymin,ymax = self.get_ybound() ysize = max(math.fabs(ymax-ymin), 1e-30) l,b,w,h = position.bounds box_aspect = fig_aspect * (h/w) data_ratio = box_aspect / A y_expander = (data_ratio*xsize/ysize - 1.0) #print 'y_expander', y_expander # If y_expander > 0, the dy/dx viewLim ratio needs to increase if abs(y_expander) < 0.005: #print 'good enough already' return dL = self.dataLim xr = 1.05 * dL.width yr = 1.05 * dL.height xmarg = xsize - xr ymarg = ysize - yr Ysize = data_ratio * xsize Xsize = ysize / data_ratio Xmarg = Xsize - xr Ymarg = Ysize - yr xm = 0 # Setting these targets to, e.g., 0.05*xr does not seem to help. ym = 0 #print 'xmin, xmax, ymin, ymax', xmin, xmax, ymin, ymax #print 'xsize, Xsize, ysize, Ysize', xsize, Xsize, ysize, Ysize changex = (self in self._shared_y_axes and self not in self._shared_x_axes) changey = (self in self._shared_x_axes and self not in self._shared_y_axes) if changex and changey: warnings.warn("adjustable='datalim' cannot work with shared " "x and y axes") return if changex: adjust_y = False else: #print 'xmarg, ymarg, Xmarg, Ymarg', xmarg, ymarg, Xmarg, Ymarg if xmarg > xm and ymarg > ym: adjy = ((Ymarg > 0 and y_expander < 0) or (Xmarg < 0 and y_expander > 0)) else: adjy = y_expander > 0 #print 'y_expander, adjy', y_expander, adjy adjust_y = changey or adjy #(Ymarg > xmarg) if adjust_y: yc = 0.5*(ymin+ymax) y0 = yc - Ysize/2.0 y1 = yc + Ysize/2.0 self.set_ybound((y0, y1)) #print 'New y0, y1:', y0, y1 #print 'New ysize, ysize/xsize', y1-y0, (y1-y0)/xsize else: xc = 0.5*(xmin+xmax) x0 = xc - Xsize/2.0 x1 = xc + Xsize/2.0 self.set_xbound((x0, x1)) #print 'New x0, x1:', x0, x1 #print 'New xsize, ysize/xsize', x1-x0, ysize/(x1-x0) def axis(self, *v, **kwargs): ''' Convenience method for manipulating the x and y view limits and the aspect ratio of the plot. *kwargs* are passed on to :meth:`set_xlim` and :meth:`set_ylim` ''' if len(v)==1 and is_string_like(v[0]): s = v[0].lower() if s=='on': self.set_axis_on() elif s=='off': self.set_axis_off() elif s in ('equal', 'tight', 'scaled', 'normal', 'auto', 'image'): self.set_autoscale_on(True) self.set_aspect('auto') self.autoscale_view() # self.apply_aspect() if s=='equal': self.set_aspect('equal', adjustable='datalim') elif s == 'scaled': self.set_aspect('equal', adjustable='box', anchor='C') self.set_autoscale_on(False) # Req. by Mark Bakker elif s=='tight': self.autoscale_view(tight=True) self.set_autoscale_on(False) elif s == 'image': self.autoscale_view(tight=True) self.set_autoscale_on(False) self.set_aspect('equal', adjustable='box', anchor='C') else: raise ValueError('Unrecognized string %s to axis; ' 'try on or off' % s) xmin, xmax = self.get_xlim() ymin, ymax = self.get_ylim() return xmin, xmax, ymin, ymax try: v[0] except IndexError: emit = kwargs.get('emit', True) xmin = kwargs.get('xmin', None) xmax = kwargs.get('xmax', None) xmin, xmax = self.set_xlim(xmin, xmax, emit) ymin = kwargs.get('ymin', None) ymax = kwargs.get('ymax', None) ymin, ymax = self.set_ylim(ymin, ymax, emit) return xmin, xmax, ymin, ymax v = v[0] if len(v) != 4: raise ValueError('v must contain [xmin xmax ymin ymax]') self.set_xlim([v[0], v[1]]) self.set_ylim([v[2], v[3]]) return v def get_child_artists(self): """ Return a list of artists the axes contains. .. deprecated:: 0.98 """ raise DeprecationWarning('Use get_children instead') def get_frame(self): 'Return the axes Rectangle frame' warnings.warn('use ax.patch instead', DeprecationWarning) return self.patch def get_legend(self): 'Return the legend.Legend instance, or None if no legend is defined' return self.legend_ def get_images(self): 'return a list of Axes images contained by the Axes' return cbook.silent_list('AxesImage', self.images) def get_lines(self): 'Return a list of lines contained by the Axes' return cbook.silent_list('Line2D', self.lines) def get_xaxis(self): 'Return the XAxis instance' return self.xaxis def get_xgridlines(self): 'Get the x grid lines as a list of Line2D instances' return cbook.silent_list('Line2D xgridline', self.xaxis.get_gridlines()) def get_xticklines(self): 'Get the xtick lines as a list of Line2D instances' return cbook.silent_list('Text xtickline', self.xaxis.get_ticklines()) def get_yaxis(self): 'Return the YAxis instance' return self.yaxis def get_ygridlines(self): 'Get the y grid lines as a list of Line2D instances' return cbook.silent_list('Line2D ygridline', self.yaxis.get_gridlines()) def get_yticklines(self): 'Get the ytick lines as a list of Line2D instances' return cbook.silent_list('Line2D ytickline', self.yaxis.get_ticklines()) #### Adding and tracking artists def has_data(self): '''Return *True* if any artists have been added to axes. This should not be used to determine whether the *dataLim* need to be updated, and may not actually be useful for anything. ''' return ( len(self.collections) + len(self.images) + len(self.lines) + len(self.patches))>0 def add_artist(self, a): 'Add any :class:`~matplotlib.artist.Artist` to the axes' a.set_axes(self) self.artists.append(a) self._set_artist_props(a) a.set_clip_path(self.patch) a._remove_method = lambda h: self.artists.remove(h) def add_collection(self, collection, autolim=True): ''' add a :class:`~matplotlib.collections.Collection` instance to the axes ''' label = collection.get_label() if not label: collection.set_label('collection{0:d}'.format(len(self.collections))) self.collections.append(collection) self._set_artist_props(collection) collection.set_clip_path(self.patch) if autolim: if collection._paths and len(collection._paths): self.update_datalim(collection.get_datalim(self.transData)) collection._remove_method = lambda h: self.collections.remove(h) def add_line(self, line): ''' Add a :class:`~matplotlib.lines.Line2D` to the list of plot lines ''' self._set_artist_props(line) line.set_clip_path(self.patch) self._update_line_limits(line) if not line.get_label(): line.set_label('_line{0:d}'.format(len(self.lines))) self.lines.append(line) line._remove_method = lambda h: self.lines.remove(h) def _update_line_limits(self, line): p = line.get_path() if p.vertices.size > 0: self.dataLim.update_from_path(p, self.ignore_existing_data_limits, updatex=line.x_isdata, updatey=line.y_isdata) self.ignore_existing_data_limits = False def add_patch(self, p): """ Add a :class:`~matplotlib.patches.Patch` *p* to the list of axes patches; the clipbox will be set to the Axes clipping box. If the transform is not set, it will be set to :attr:`transData`. """ self._set_artist_props(p) p.set_clip_path(self.patch) self._update_patch_limits(p) self.patches.append(p) p._remove_method = lambda h: self.patches.remove(h) def _update_patch_limits(self, patch): 'update the data limits for patch *p*' # hist can add zero height Rectangles, which is useful to keep # the bins, counts and patches lined up, but it throws off log # scaling. We'll ignore rects with zero height or width in # the auto-scaling if (isinstance(patch, mpatches.Rectangle) and (patch.get_width()==0 or patch.get_height()==0)): return vertices = patch.get_path().vertices if vertices.size > 0: xys = patch.get_patch_transform().transform(vertices) if patch.get_data_transform() != self.transData: transform = (patch.get_data_transform() + self.transData.inverted()) xys = transform.transform(xys) self.update_datalim(xys, updatex=patch.x_isdata, updatey=patch.y_isdata) def add_table(self, tab): ''' Add a :class:`~matplotlib.tables.Table` instance to the list of axes tables ''' self._set_artist_props(tab) self.tables.append(tab) tab.set_clip_path(self.patch) tab._remove_method = lambda h: self.tables.remove(h) def relim(self): 'recompute the data limits based on current artists' # Collections are deliberately not supported (yet); see # the TODO note in artists.py. self.dataLim.ignore(True) self.ignore_existing_data_limits = True for line in self.lines: self._update_line_limits(line) for p in self.patches: self._update_patch_limits(p) def update_datalim(self, xys, updatex=True, updatey=True): 'Update the data lim bbox with seq of xy tups or equiv. 2-D array' # if no data is set currently, the bbox will ignore its # limits and set the bound to be the bounds of the xydata. # Otherwise, it will compute the bounds of it's current data # and the data in xydata if iterable(xys) and not len(xys): return if not ma.isMaskedArray(xys): xys = np.asarray(xys) self.dataLim.update_from_data_xy(xys, self.ignore_existing_data_limits, updatex=updatex, updatey=updatey) self.ignore_existing_data_limits = False def update_datalim_numerix(self, x, y): 'Update the data lim bbox with seq of xy tups' # if no data is set currently, the bbox will ignore it's # limits and set the bound to be the bounds of the xydata. # Otherwise, it will compute the bounds of it's current data # and the data in xydata if iterable(x) and not len(x): return self.dataLim.update_from_data(x, y, self.ignore_existing_data_limits) self.ignore_existing_data_limits = False def update_datalim_bounds(self, bounds): ''' Update the datalim to include the given :class:`~matplotlib.transforms.Bbox` *bounds* ''' self.dataLim.set(mtransforms.Bbox.union([self.dataLim, bounds])) def _process_unit_info(self, xdata=None, ydata=None, kwargs=None): 'look for unit *kwargs* and update the axis instances as necessary' if self.xaxis is None or self.yaxis is None: return #print 'processing', self.get_geometry() if xdata is not None: # we only need to update if there is nothing set yet. if not self.xaxis.have_units(): self.xaxis.update_units(xdata) #print '\tset from xdata', self.xaxis.units if ydata is not None: # we only need to update if there is nothing set yet. if not self.yaxis.have_units(): self.yaxis.update_units(ydata) #print '\tset from ydata', self.yaxis.units # process kwargs 2nd since these will override default units if kwargs is not None: xunits = kwargs.pop( 'xunits', self.xaxis.units) if xunits!=self.xaxis.units: #print '\tkw setting xunits', xunits self.xaxis.set_units(xunits) # If the units being set imply a different converter, # we need to update. if xdata is not None: self.xaxis.update_units(xdata) yunits = kwargs.pop('yunits', self.yaxis.units) if yunits!=self.yaxis.units: #print '\tkw setting yunits', yunits self.yaxis.set_units(yunits) # If the units being set imply a different converter, # we need to update. if ydata is not None: self.yaxis.update_units(ydata) def in_axes(self, mouseevent): ''' return *True* if the given *mouseevent* (in display coords) is in the Axes ''' return self.patch.contains(mouseevent)[0] def get_autoscale_on(self): """ Get whether autoscaling is applied on plot commands """ return self._autoscaleon def set_autoscale_on(self, b): """ Set whether autoscaling is applied on plot commands accepts: [ *True* | *False* ] """ self._autoscaleon = b def autoscale_view(self, tight=False, scalex=True, scaley=True): """ autoscale the view limits using the data limits. You can selectively autoscale only a single axis, eg, the xaxis by setting *scaley* to *False*. The autoscaling preserves any axis direction reversal that has already been done. """ # if image data only just use the datalim if not self._autoscaleon: return if scalex: xshared = self._shared_x_axes.get_siblings(self) dl = [ax.dataLim for ax in xshared] bb = mtransforms.BboxBase.union(dl) x0, x1 = bb.intervalx if scaley: yshared = self._shared_y_axes.get_siblings(self) dl = [ax.dataLim for ax in yshared] bb = mtransforms.BboxBase.union(dl) y0, y1 = bb.intervaly if (tight or (len(self.images)>0 and len(self.lines)==0 and len(self.patches)==0)): if scalex: self.set_xbound(x0, x1) if scaley: self.set_ybound(y0, y1) return if scalex: XL = self.xaxis.get_major_locator().view_limits(x0, x1) self.set_xbound(XL) if scaley: YL = self.yaxis.get_major_locator().view_limits(y0, y1) self.set_ybound(YL) #### Drawing def draw(self, renderer=None, inframe=False): "Draw everything (plot lines, axes, labels)" if renderer is None: renderer = self._cachedRenderer if renderer is None: raise RuntimeError('No renderer defined') if not self.get_visible(): return renderer.open_group('axes') self.apply_aspect() # the patch draws the background rectangle -- the frame below # will draw the edges if self.axison and self._frameon: self.patch.draw(renderer) artists = [] if len(self.images)<=1 or renderer.option_image_nocomposite(): for im in self.images: im.draw(renderer) else: # make a composite image blending alpha # list of (mimage.Image, ox, oy) mag = renderer.get_image_magnification() ims = [(im.make_image(mag),0,0) for im in self.images if im.get_visible()] l, b, r, t = self.bbox.extents width = mag*((round(r) + 0.5) - (round(l) - 0.5)) height = mag*((round(t) + 0.5) - (round(b) - 0.5)) im = mimage.from_images(height, width, ims) im.is_grayscale = False l, b, w, h = self.bbox.bounds # composite images need special args so they will not # respect z-order for now renderer.draw_image( round(l), round(b), im, self.bbox, self.patch.get_path(), self.patch.get_transform()) artists.extend(self.collections) artists.extend(self.patches) artists.extend(self.lines) artists.extend(self.texts) artists.extend(self.artists) if self.axison and not inframe: if self._axisbelow: self.xaxis.set_zorder(0.5) self.yaxis.set_zorder(0.5) else: self.xaxis.set_zorder(2.5) self.yaxis.set_zorder(2.5) artists.extend([self.xaxis, self.yaxis]) if not inframe: artists.append(self.title) artists.extend(self.tables) if self.legend_ is not None: artists.append(self.legend_) # the frame draws the edges around the axes patch -- we # decouple these so the patch can be in the background and the # frame in the foreground. if self.axison and self._frameon: artists.append(self.frame) dsu = [ (a.zorder, i, a) for i, a in enumerate(artists) if not a.get_animated() ] dsu.sort() for zorder, i, a in dsu: a.draw(renderer) renderer.close_group('axes') self._cachedRenderer = renderer def draw_artist(self, a): """ This method can only be used after an initial draw which caches the renderer. It is used to efficiently update Axes data (axis ticks, labels, etc are not updated) """ assert self._cachedRenderer is not None a.draw(self._cachedRenderer) def redraw_in_frame(self): """ This method can only be used after an initial draw which caches the renderer. It is used to efficiently update Axes data (axis ticks, labels, etc are not updated) """ assert self._cachedRenderer is not None self.draw(self._cachedRenderer, inframe=True) def get_renderer_cache(self): return self._cachedRenderer def __draw_animate(self): # ignore for now; broken if self._lastRenderer is None: raise RuntimeError('You must first call ax.draw()') dsu = [(a.zorder, a) for a in self.animated.keys()] dsu.sort() renderer = self._lastRenderer renderer.blit() for tmp, a in dsu: a.draw(renderer) #### Axes rectangle characteristics def get_frame_on(self): """ Get whether the axes rectangle patch is drawn """ return self._frameon def set_frame_on(self, b): """ Set whether the axes rectangle patch is drawn ACCEPTS: [ *True* | *False* ] """ self._frameon = b def get_axisbelow(self): """ Get whether axis below is true or not """ return self._axisbelow def set_axisbelow(self, b): """ Set whether the axis ticks and gridlines are above or below most artists ACCEPTS: [ *True* | *False* ] """ self._axisbelow = b def grid(self, b=None, **kwargs): """ call signature:: grid(self, b=None, **kwargs) Set the axes grids on or off; *b* is a boolean If *b* is *None* and ``len(kwargs)==0``, toggle the grid state. If *kwargs* are supplied, it is assumed that you want a grid and *b* is thus set to *True* *kawrgs* are used to set the grid line properties, eg:: ax.grid(color='r', linestyle='-', linewidth=2) Valid :class:`~matplotlib.lines.Line2D` kwargs are %(Line2D)s """ if len(kwargs): b = True self.xaxis.grid(b, **kwargs) self.yaxis.grid(b, **kwargs) grid.__doc__ = cbook.dedent(grid.__doc__) % martist.kwdocd def ticklabel_format(self, **kwargs): """ Convenience method for manipulating the ScalarFormatter used by default for linear axes. Optional keyword arguments: ============ ===================================== Keyword Description ============ ===================================== *style* [ 'sci' (or 'scientific') | 'plain' ] plain turns off scientific notation *scilimits* (m, n), pair of integers; if *style* is 'sci', scientific notation will be used for numbers outside the range 10`-m`:sup: to 10`n`:sup:. Use (0,0) to include all numbers. *axis* [ 'x' | 'y' | 'both' ] ============ ===================================== Only the major ticks are affected. If the method is called when the :class:`~matplotlib.ticker.ScalarFormatter` is not the :class:`~matplotlib.ticker.Formatter` being used, an :exc:`AttributeError` will be raised. """ style = kwargs.pop('style', '').lower() scilimits = kwargs.pop('scilimits', None) if scilimits is not None: try: m, n = scilimits m+n+1 # check that both are numbers except (ValueError, TypeError): raise ValueError("scilimits must be a sequence of 2 integers") axis = kwargs.pop('axis', 'both').lower() if style[:3] == 'sci': sb = True elif style in ['plain', 'comma']: sb = False if style == 'plain': cb = False else: cb = True raise NotImplementedError, "comma style remains to be added" elif style == '': sb = None else: raise ValueError, "%s is not a valid style value" try: if sb is not None: if axis == 'both' or axis == 'x': self.xaxis.major.formatter.set_scientific(sb) if axis == 'both' or axis == 'y': self.yaxis.major.formatter.set_scientific(sb) if scilimits is not None: if axis == 'both' or axis == 'x': self.xaxis.major.formatter.set_powerlimits(scilimits) if axis == 'both' or axis == 'y': self.yaxis.major.formatter.set_powerlimits(scilimits) except AttributeError: raise AttributeError( "This method only works with the ScalarFormatter.") def set_axis_off(self): """turn off the axis""" self.axison = False def set_axis_on(self): """turn on the axis""" self.axison = True def get_axis_bgcolor(self): 'Return the axis background color' return self._axisbg def set_axis_bgcolor(self, color): """ set the axes background color ACCEPTS: any matplotlib color - see :func:`~matplotlib.pyplot.colors` """ self._axisbg = color self.patch.set_facecolor(color) ### data limits, ticks, tick labels, and formatting def invert_xaxis(self): "Invert the x-axis." left, right = self.get_xlim() self.set_xlim(right, left) def xaxis_inverted(self): 'Returns True if the x-axis is inverted.' left, right = self.get_xlim() return right < left def get_xbound(self): """ Returns the x-axis numerical bounds where:: lowerBound < upperBound """ left, right = self.get_xlim() if left < right: return left, right else: return right, left def set_xbound(self, lower=None, upper=None): """ Set the lower and upper numerical bounds of the x-axis. This method will honor axes inversion regardless of parameter order. """ if upper is None and iterable(lower): lower,upper = lower old_lower,old_upper = self.get_xbound() if lower is None: lower = old_lower if upper is None: upper = old_upper if self.xaxis_inverted(): if lower < upper: self.set_xlim(upper, lower) else: self.set_xlim(lower, upper) else: if lower < upper: self.set_xlim(lower, upper) else: self.set_xlim(upper, lower) def get_xlim(self): """ Get the x-axis range [*xmin*, *xmax*] """ return tuple(self.viewLim.intervalx) def set_xlim(self, xmin=None, xmax=None, emit=True, **kwargs): """ call signature:: set_xlim(self, *args, **kwargs) Set the limits for the xaxis Returns the current xlimits as a length 2 tuple: [*xmin*, *xmax*] Examples:: set_xlim((valmin, valmax)) set_xlim(valmin, valmax) set_xlim(xmin=1) # xmax unchanged set_xlim(xmax=1) # xmin unchanged Keyword arguments: *ymin*: scalar the min of the ylim *ymax*: scalar the max of the ylim *emit*: [ True | False ] notify observers of lim change ACCEPTS: len(2) sequence of floats """ if xmax is None and iterable(xmin): xmin,xmax = xmin self._process_unit_info(xdata=(xmin, xmax)) if xmin is not None: xmin = self.convert_xunits(xmin) if xmax is not None: xmax = self.convert_xunits(xmax) old_xmin,old_xmax = self.get_xlim() if xmin is None: xmin = old_xmin if xmax is None: xmax = old_xmax xmin, xmax = mtransforms.nonsingular(xmin, xmax, increasing=False) xmin, xmax = self.xaxis.limit_range_for_scale(xmin, xmax) self.viewLim.intervalx = (xmin, xmax) if emit: self.callbacks.process('xlim_changed', self) # Call all of the other x-axes that are shared with this one for other in self._shared_x_axes.get_siblings(self): if other is not self: other.set_xlim(self.viewLim.intervalx, emit=False) if (other.figure != self.figure and other.figure.canvas is not None): other.figure.canvas.draw_idle() return xmin, xmax def get_xscale(self): 'return the xaxis scale string: {0!s}'.format(( ", ".join(mscale.get_scale_names()))) return self.xaxis.get_scale() def set_xscale(self, value, **kwargs): """ call signature:: set_xscale(value) Set the scaling of the x-axis: %(scale)s ACCEPTS: [%(scale)s] Different kwargs are accepted, depending on the scale: %(scale_docs)s """ self.xaxis.set_scale(value, **kwargs) self.autoscale_view() self._update_transScale() set_xscale.__doc__ = cbook.dedent(set_xscale.__doc__) % { 'scale': ' | '.join([repr(x) for x in mscale.get_scale_names()]), 'scale_docs': mscale.get_scale_docs().strip()} def get_xticks(self, minor=False): 'Return the x ticks as a list of locations' return self.xaxis.get_ticklocs(minor=minor) def set_xticks(self, ticks, minor=False): """ Set the x ticks with list of *ticks* ACCEPTS: sequence of floats """ return self.xaxis.set_ticks(ticks, minor=minor) def get_xmajorticklabels(self): 'Get the xtick labels as a list of Text instances' return cbook.silent_list('Text xticklabel', self.xaxis.get_majorticklabels()) def get_xminorticklabels(self): 'Get the xtick labels as a list of Text instances' return cbook.silent_list('Text xticklabel', self.xaxis.get_minorticklabels()) def get_xticklabels(self, minor=False): 'Get the xtick labels as a list of Text instances' return cbook.silent_list('Text xticklabel', self.xaxis.get_ticklabels(minor=minor)) def set_xticklabels(self, labels, fontdict=None, minor=False, **kwargs): """ call signature:: set_xticklabels(labels, fontdict=None, minor=False, **kwargs) Set the xtick labels with list of strings *labels*. Return a list of axis text instances. *kwargs* set the :class:`~matplotlib.text.Text` properties. Valid properties are %(Text)s ACCEPTS: sequence of strings """ return self.xaxis.set_ticklabels(labels, fontdict, minor=minor, **kwargs) set_xticklabels.__doc__ = cbook.dedent( set_xticklabels.__doc__) % martist.kwdocd def invert_yaxis(self): "Invert the y-axis." left, right = self.get_ylim() self.set_ylim(right, left) def yaxis_inverted(self): 'Returns True if the y-axis is inverted.' left, right = self.get_ylim() return right < left def get_ybound(self): "Return y-axis numerical bounds in the form of lowerBound < upperBound" left, right = self.get_ylim() if left < right: return left, right else: return right, left def set_ybound(self, lower=None, upper=None): """Set the lower and upper numerical bounds of the y-axis. This method will honor axes inversion regardless of parameter order. """ if upper is None and iterable(lower): lower,upper = lower old_lower,old_upper = self.get_ybound() if lower is None: lower = old_lower if upper is None: upper = old_upper if self.yaxis_inverted(): if lower < upper: self.set_ylim(upper, lower) else: self.set_ylim(lower, upper) else: if lower < upper: self.set_ylim(lower, upper) else: self.set_ylim(upper, lower) def get_ylim(self): """ Get the y-axis range [*ymin*, *ymax*] """ return tuple(self.viewLim.intervaly) def set_ylim(self, ymin=None, ymax=None, emit=True, **kwargs): """ call signature:: set_ylim(self, *args, **kwargs): Set the limits for the yaxis; v = [ymin, ymax]:: set_ylim((valmin, valmax)) set_ylim(valmin, valmax) set_ylim(ymin=1) # ymax unchanged set_ylim(ymax=1) # ymin unchanged Keyword arguments: *ymin*: scalar the min of the ylim *ymax*: scalar the max of the ylim *emit*: [ True | False ] notify observers of lim change Returns the current ylimits as a length 2 tuple ACCEPTS: len(2) sequence of floats """ if ymax is None and iterable(ymin): ymin,ymax = ymin if ymin is not None: ymin = self.convert_yunits(ymin) if ymax is not None: ymax = self.convert_yunits(ymax) old_ymin,old_ymax = self.get_ylim() if ymin is None: ymin = old_ymin if ymax is None: ymax = old_ymax ymin, ymax = mtransforms.nonsingular(ymin, ymax, increasing=False) ymin, ymax = self.yaxis.limit_range_for_scale(ymin, ymax) self.viewLim.intervaly = (ymin, ymax) if emit: self.callbacks.process('ylim_changed', self) # Call all of the other y-axes that are shared with this one for other in self._shared_y_axes.get_siblings(self): if other is not self: other.set_ylim(self.viewLim.intervaly, emit=False) if (other.figure != self.figure and other.figure.canvas is not None): other.figure.canvas.draw_idle() return ymin, ymax def get_yscale(self): 'return the xaxis scale string: {0!s}'.format(( ", ".join(mscale.get_scale_names()))) return self.yaxis.get_scale() def set_yscale(self, value, **kwargs): """ call signature:: set_yscale(value) Set the scaling of the y-axis: %(scale)s ACCEPTS: [%(scale)s] Different kwargs are accepted, depending on the scale: %(scale_docs)s """ self.yaxis.set_scale(value, **kwargs) self.autoscale_view() self._update_transScale() set_yscale.__doc__ = cbook.dedent(set_yscale.__doc__) % { 'scale': ' | '.join([repr(x) for x in mscale.get_scale_names()]), 'scale_docs': mscale.get_scale_docs().strip()} def get_yticks(self, minor=False): 'Return the y ticks as a list of locations' return self.yaxis.get_ticklocs(minor=minor) def set_yticks(self, ticks, minor=False): """ Set the y ticks with list of *ticks* ACCEPTS: sequence of floats Keyword arguments: *minor*: [ False | True ] Sets the minor ticks if True """ return self.yaxis.set_ticks(ticks, minor=minor) def get_ymajorticklabels(self): 'Get the xtick labels as a list of Text instances' return cbook.silent_list('Text yticklabel', self.yaxis.get_majorticklabels()) def get_yminorticklabels(self): 'Get the xtick labels as a list of Text instances' return cbook.silent_list('Text yticklabel', self.yaxis.get_minorticklabels()) def get_yticklabels(self, minor=False): 'Get the xtick labels as a list of Text instances' return cbook.silent_list('Text yticklabel', self.yaxis.get_ticklabels(minor=minor)) def set_yticklabels(self, labels, fontdict=None, minor=False, **kwargs): """ call signature:: set_yticklabels(labels, fontdict=None, minor=False, **kwargs) Set the ytick labels with list of strings *labels*. Return a list of :class:`~matplotlib.text.Text` instances. *kwargs* set :class:`~matplotlib.text.Text` properties for the labels. Valid properties are %(Text)s ACCEPTS: sequence of strings """ return self.yaxis.set_ticklabels(labels, fontdict, minor=minor, **kwargs) set_yticklabels.__doc__ = cbook.dedent( set_yticklabels.__doc__) % martist.kwdocd def xaxis_date(self, tz=None): """Sets up x-axis ticks and labels that treat the x data as dates. *tz* is the time zone to use in labeling dates. Defaults to rc value. """ xmin, xmax = self.dataLim.intervalx if xmin==0.: # no data has been added - let's set the default datalim. # We should probably use a better proxy for the datalim # have been updated than the ignore setting dmax = today = datetime.date.today() dmin = today-datetime.timedelta(days=10) self._process_unit_info(xdata=(dmin, dmax)) dmin, dmax = self.convert_xunits([dmin, dmax]) self.viewLim.intervalx = dmin, dmax self.dataLim.intervalx = dmin, dmax locator = self.xaxis.get_major_locator() if not isinstance(locator, mdates.DateLocator): locator = mdates.AutoDateLocator(tz) self.xaxis.set_major_locator(locator) # the autolocator uses the viewlim to pick the right date # locator, but it may not have correct viewlim before an # autoscale. If the viewlim is still zero..1, set it to the # datalim and the autoscaler will update it on request if self.viewLim.intervalx[0]==0.: self.viewLim.intervalx = tuple(self.dataLim.intervalx) locator.refresh() formatter = self.xaxis.get_major_formatter() if not isinstance(formatter, mdates.DateFormatter): formatter = mdates.AutoDateFormatter(locator, tz) self.xaxis.set_major_formatter(formatter) def yaxis_date(self, tz=None): """Sets up y-axis ticks and labels that treat the y data as dates. *tz* is the time zone to use in labeling dates. Defaults to rc value. """ ymin, ymax = self.dataLim.intervaly if ymin==0.: # no data has been added - let's set the default datalim. # We should probably use a better proxy for the datalim # have been updated than the ignore setting dmax = today = datetime.date.today() dmin = today-datetime.timedelta(days=10) self._process_unit_info(ydata=(dmin, dmax)) dmin, dmax = self.convert_yunits([dmin, dmax]) self.viewLim.intervaly = dmin, dmax self.dataLim.intervaly = dmin, dmax locator = self.yaxis.get_major_locator() if not isinstance(locator, mdates.DateLocator): locator = mdates.AutoDateLocator(tz) self.yaxis.set_major_locator(locator) # the autolocator uses the viewlim to pick the right date # locator, but it may not have correct viewlim before an # autoscale. If the viewlim is still zero..1, set it to the # datalim and the autoscaler will update it on request if self.viewLim.intervaly[0]==0.: self.viewLim.intervaly = tuple(self.dataLim.intervaly) locator.refresh() formatter = self.xaxis.get_major_formatter() if not isinstance(formatter, mdates.DateFormatter): formatter = mdates.AutoDateFormatter(locator, tz) self.yaxis.set_major_formatter(formatter) def format_xdata(self, x): """ Return *x* string formatted. This function will use the attribute self.fmt_xdata if it is callable, else will fall back on the xaxis major formatter """ try: return self.fmt_xdata(x) except TypeError: func = self.xaxis.get_major_formatter().format_data_short val = func(x) return val def format_ydata(self, y): """ Return y string formatted. This function will use the :attr:`fmt_ydata` attribute if it is callable, else will fall back on the yaxis major formatter """ try: return self.fmt_ydata(y) except TypeError: func = self.yaxis.get_major_formatter().format_data_short val = func(y) return val def format_coord(self, x, y): 'return a format string formatting the *x*, *y* coord' if x is None: x = '???' if y is None: y = '???' xs = self.format_xdata(x) ys = self.format_ydata(y) return 'x={0!s}, y={1!s}'.format(xs, ys) #### Interactive manipulation def can_zoom(self): """ Return *True* if this axes support the zoom box """ return True def get_navigate(self): """ Get whether the axes responds to navigation commands """ return self._navigate def set_navigate(self, b): """ Set whether the axes responds to navigation toolbar commands ACCEPTS: [ True | False ] """ self._navigate = b def get_navigate_mode(self): """ Get the navigation toolbar button status: 'PAN', 'ZOOM', or None """ return self._navigate_mode def set_navigate_mode(self, b): """ Set the navigation toolbar button status; .. warning:: this is not a user-API function. """ self._navigate_mode = b def start_pan(self, x, y, button): """ Called when a pan operation has started. *x*, *y* are the mouse coordinates in display coords. button is the mouse button number: * 1: LEFT * 2: MIDDLE * 3: RIGHT .. note:: Intended to be overridden by new projection types. """ self._pan_start = cbook.Bunch( lim = self.viewLim.frozen(), trans = self.transData.frozen(), trans_inverse = self.transData.inverted().frozen(), bbox = self.bbox.frozen(), x = x, y = y ) def end_pan(self): """ Called when a pan operation completes (when the mouse button is up.) .. note:: Intended to be overridden by new projection types. """ del self._pan_start def drag_pan(self, button, key, x, y): """ Called when the mouse moves during a pan operation. *button* is the mouse button number: * 1: LEFT * 2: MIDDLE * 3: RIGHT *key* is a "shift" key *x*, *y* are the mouse coordinates in display coords. .. note:: Intended to be overridden by new projection types. """ def format_deltas(key, dx, dy): if key=='control': if(abs(dx)>abs(dy)): dy = dx else: dx = dy elif key=='x': dy = 0 elif key=='y': dx = 0 elif key=='shift': if 2*abs(dx) < abs(dy): dx=0 elif 2*abs(dy) < abs(dx): dy=0 elif(abs(dx)>abs(dy)): dy=dy/abs(dy)*abs(dx) else: dx=dx/abs(dx)*abs(dy) return (dx,dy) p = self._pan_start dx = x - p.x dy = y - p.y if dx == 0 and dy == 0: return if button == 1: dx, dy = format_deltas(key, dx, dy) result = p.bbox.translated(-dx, -dy) \ .transformed(p.trans_inverse) elif button == 3: try: dx = -dx / float(self.bbox.width) dy = -dy / float(self.bbox.height) dx, dy = format_deltas(key, dx, dy) if self.get_aspect() != 'auto': dx = 0.5 * (dx + dy) dy = dx alpha = np.power(10.0, (dx, dy)) start = p.trans_inverse.transform_point((p.x, p.y)) lim_points = p.lim.get_points() result = start + alpha * (lim_points - start) result = mtransforms.Bbox(result) except OverflowError: warnings.warn('Overflow while panning') return self.set_xlim(*result.intervalx) self.set_ylim(*result.intervaly) def get_cursor_props(self): """ return the cursor propertiess as a (*linewidth*, *color*) tuple, where *linewidth* is a float and *color* is an RGBA tuple """ return self._cursorProps def set_cursor_props(self, *args): """ Set the cursor property as:: ax.set_cursor_props(linewidth, color) or:: ax.set_cursor_props((linewidth, color)) ACCEPTS: a (*float*, *color*) tuple """ if len(args)==1: lw, c = args[0] elif len(args)==2: lw, c = args else: raise ValueError('args must be a (linewidth, color) tuple') c =mcolors.colorConverter.to_rgba(c) self._cursorProps = lw, c def connect(self, s, func): """ Register observers to be notified when certain events occur. Register with callback functions with the following signatures. The function has the following signature:: func(ax) # where ax is the instance making the callback. The following events can be connected to: 'xlim_changed','ylim_changed' The connection id is is returned - you can use this with disconnect to disconnect from the axes event """ raise DeprecationWarning('use the callbacks CallbackRegistry instance ' 'instead') def disconnect(self, cid): 'disconnect from the Axes event.' raise DeprecationWarning('use the callbacks CallbackRegistry instance ' 'instead') def get_children(self): 'return a list of child artists' children = [] children.append(self.xaxis) children.append(self.yaxis) children.extend(self.lines) children.extend(self.patches) children.extend(self.texts) children.extend(self.tables) children.extend(self.artists) children.extend(self.images) if self.legend_ is not None: children.append(self.legend_) children.extend(self.collections) children.append(self.title) children.append(self.patch) children.append(self.frame) return children def contains(self,mouseevent): """Test whether the mouse event occured in the axes. Returns T/F, {} """ if callable(self._contains): return self._contains(self,mouseevent) return self.patch.contains(mouseevent) def pick(self, *args): """ call signature:: pick(mouseevent) each child artist will fire a pick event if mouseevent is over the artist and the artist has picker set """ if len(args)>1: raise DeprecationWarning('New pick API implemented -- ' 'see API_CHANGES in the src distribution') martist.Artist.pick(self,args[0]) def __pick(self, x, y, trans=None, among=None): """ Return the artist under point that is closest to the *x*, *y*. If *trans* is *None*, *x*, and *y* are in window coords, (0,0 = lower left). Otherwise, *trans* is a :class:`~matplotlib.transforms.Transform` that specifies the coordinate system of *x*, *y*. The selection of artists from amongst which the pick function finds an artist can be narrowed using the optional keyword argument *among*. If provided, this should be either a sequence of permitted artists or a function taking an artist as its argument and returning a true value if and only if that artist can be selected. Note this algorithm calculates distance to the vertices of the polygon, so if you want to pick a patch, click on the edge! """ # MGDTODO: Needs updating if trans is not None: xywin = trans.transform_point((x,y)) else: xywin = x,y def dist_points(p1, p2): 'return the distance between two points' x1, y1 = p1 x2, y2 = p2 return math.sqrt((x1-x2)**2+(y1-y2)**2) def dist_x_y(p1, x, y): '*x* and *y* are arrays; return the distance to the closest point' x1, y1 = p1 return min(np.sqrt((x-x1)**2+(y-y1)**2)) def dist(a): if isinstance(a, Text): bbox = a.get_window_extent() l,b,w,h = bbox.bounds verts = (l,b), (l,b+h), (l+w,b+h), (l+w, b) xt, yt = zip(*verts) elif isinstance(a, Patch): path = a.get_path() tverts = a.get_transform().transform_path(path) xt, yt = zip(*tverts) elif isinstance(a, mlines.Line2D): xdata = a.get_xdata(orig=False) ydata = a.get_ydata(orig=False) xt, yt = a.get_transform().numerix_x_y(xdata, ydata) return dist_x_y(xywin, np.asarray(xt), np.asarray(yt)) artists = self.lines + self.patches + self.texts if callable(among): artists = filter(test, artists) elif iterable(among): amongd = {k: 1 for k in among} artists = [a for a in artists if a in amongd] elif among is None: pass else: raise ValueError('among must be callable or iterable') if not len(artists): return None ds = [ (dist(a),a) for a in artists] ds.sort() return ds[0][1] #### Labelling def get_title(self): """ Get the title text string. """ return self.title.get_text() def set_title(self, label, fontdict=None, **kwargs): """ call signature:: set_title(label, fontdict=None, **kwargs): Set the title for the axes. kwargs are Text properties: %(Text)s ACCEPTS: str .. seealso:: :meth:`text`: for information on how override and the optional args work """ default = { 'fontsize':rcParams['axes.titlesize'], 'verticalalignment' : 'bottom', 'horizontalalignment' : 'center' } self.title.set_text(label) self.title.update(default) if fontdict is not None: self.title.update(fontdict) self.title.update(kwargs) return self.title set_title.__doc__ = cbook.dedent(set_title.__doc__) % martist.kwdocd def get_xlabel(self): """ Get the xlabel text string. """ label = self.xaxis.get_label() return label.get_text() def set_xlabel(self, xlabel, fontdict=None, **kwargs): """ call signature:: set_xlabel(xlabel, fontdict=None, **kwargs) Set the label for the xaxis. Valid kwargs are Text properties: %(Text)s ACCEPTS: str .. seealso:: :meth:`text`: for information on how override and the optional args work """ label = self.xaxis.get_label() label.set_text(xlabel) if fontdict is not None: label.update(fontdict) label.update(kwargs) return label set_xlabel.__doc__ = cbook.dedent(set_xlabel.__doc__) % martist.kwdocd def get_ylabel(self): """ Get the ylabel text string. """ label = self.yaxis.get_label() return label.get_text() def set_ylabel(self, ylabel, fontdict=None, **kwargs): """ call signature:: set_ylabel(ylabel, fontdict=None, **kwargs) Set the label for the yaxis Valid kwargs are Text properties: %(Text)s ACCEPTS: str .. seealso:: :meth:`text`: for information on how override and the optional args work """ label = self.yaxis.get_label() label.set_text(ylabel) if fontdict is not None: label.update(fontdict) label.update(kwargs) return label set_ylabel.__doc__ = cbook.dedent(set_ylabel.__doc__) % martist.kwdocd def text(self, x, y, s, fontdict=None, withdash=False, **kwargs): """ call signature:: text(x, y, s, fontdict=None, **kwargs) Add text in string *s* to axis at location *x*, *y*, data coordinates. Keyword arguments: *fontdict*: A dictionary to override the default text properties. If *fontdict* is *None*, the defaults are determined by your rc parameters. *withdash*: [ False | True ] Creates a :class:`~matplotlib.text.TextWithDash` instance instead of a :class:`~matplotlib.text.Text` instance. Individual keyword arguments can be used to override any given parameter:: text(x, y, s, fontsize=12) The default transform specifies that text is in data coords, alternatively, you can specify text in axis coords (0,0 is lower-left and 1,1 is upper-right). The example below places text in the center of the axes:: text(0.5, 0.5,'matplotlib', horizontalalignment='center', verticalalignment='center', transform = ax.transAxes) You can put a rectangular box around the text instance (eg. to set a background color) by using the keyword *bbox*. *bbox* is a dictionary of :class:`matplotlib.patches.Rectangle` properties. For example:: text(x, y, s, bbox=dict(facecolor='red', alpha=0.5)) Valid kwargs are :class:`matplotlib.text.Text` properties: %(Text)s """ default = { 'verticalalignment' : 'bottom', 'horizontalalignment' : 'left', #'verticalalignment' : 'top', 'transform' : self.transData, } # At some point if we feel confident that TextWithDash # is robust as a drop-in replacement for Text and that # the performance impact of the heavier-weight class # isn't too significant, it may make sense to eliminate # the withdash kwarg and simply delegate whether there's # a dash to TextWithDash and dashlength. if withdash: t = mtext.TextWithDash( x=x, y=y, text=s, ) else: t = mtext.Text( x=x, y=y, text=s, ) self._set_artist_props(t) t.update(default) if fontdict is not None: t.update(fontdict) t.update(kwargs) self.texts.append(t) t._remove_method = lambda h: self.texts.remove(h) #if t.get_clip_on(): t.set_clip_box(self.bbox) if 'clip_on' in kwargs: t.set_clip_box(self.bbox) return t text.__doc__ = cbook.dedent(text.__doc__) % martist.kwdocd def annotate(self, *args, **kwargs): """ call signature:: annotate(s, xy, xytext=None, xycoords='data', textcoords='data', arrowprops=None, **kwargs) Keyword arguments: %(Annotation)s .. plot:: mpl_examples/pylab_examples/annotation_demo2.py """ a = mtext.Annotation(*args, **kwargs) a.set_transform(mtransforms.IdentityTransform()) self._set_artist_props(a) if kwargs.has_key('clip_on'): a.set_clip_path(self.patch) self.texts.append(a) return a annotate.__doc__ = cbook.dedent(annotate.__doc__) % martist.kwdocd #### Lines and spans def axhline(self, y=0, xmin=0, xmax=1, **kwargs): """ call signature:: axhline(y=0, xmin=0, xmax=1, **kwargs) Axis Horizontal Line Draw a horizontal line at *y* from *xmin* to *xmax*. With the default values of *xmin* = 0 and *xmax* = 1, this line will always span the horizontal extent of the axes, regardless of the xlim settings, even if you change them, eg. with the :meth:`set_xlim` command. That is, the horizontal extent is in axes coords: 0=left, 0.5=middle, 1.0=right but the *y* location is in data coordinates. Return value is the :class:`~matplotlib.lines.Line2D` instance. kwargs are the same as kwargs to plot, and can be used to control the line properties. Eg., * draw a thick red hline at *y* = 0 that spans the xrange >>> axhline(linewidth=4, color='r') * draw a default hline at *y* = 1 that spans the xrange >>> axhline(y=1) * draw a default hline at *y* = .5 that spans the the middle half of the xrange >>> axhline(y=.5, xmin=0.25, xmax=0.75) Valid kwargs are :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s .. seealso:: :meth:`axhspan`: for example plot and source code """ ymin, ymax = self.get_ybound() # We need to strip away the units for comparison with # non-unitized bounds yy = self.convert_yunits( y ) scaley = (yy<ymin) or (yy>ymax) trans = mtransforms.blended_transform_factory( self.transAxes, self.transData) l = mlines.Line2D([xmin,xmax], [y,y], transform=trans, **kwargs) l.x_isdata = False self.add_line(l) self.autoscale_view(scalex=False, scaley=scaley) return l axhline.__doc__ = cbook.dedent(axhline.__doc__) % martist.kwdocd def axvline(self, x=0, ymin=0, ymax=1, **kwargs): """ call signature:: axvline(x=0, ymin=0, ymax=1, **kwargs) Axis Vertical Line Draw a vertical line at *x* from *ymin* to *ymax*. With the default values of *ymin* = 0 and *ymax* = 1, this line will always span the vertical extent of the axes, regardless of the xlim settings, even if you change them, eg. with the :meth:`set_xlim` command. That is, the vertical extent is in axes coords: 0=bottom, 0.5=middle, 1.0=top but the *x* location is in data coordinates. Return value is the :class:`~matplotlib.lines.Line2D` instance. kwargs are the same as kwargs to plot, and can be used to control the line properties. Eg., * draw a thick red vline at *x* = 0 that spans the yrange >>> axvline(linewidth=4, color='r') * draw a default vline at *x* = 1 that spans the yrange >>> axvline(x=1) * draw a default vline at *x* = .5 that spans the the middle half of the yrange >>> axvline(x=.5, ymin=0.25, ymax=0.75) Valid kwargs are :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s .. seealso:: :meth:`axhspan`: for example plot and source code """ xmin, xmax = self.get_xbound() # We need to strip away the units for comparison with # non-unitized bounds xx = self.convert_xunits( x ) scalex = (xx<xmin) or (xx>xmax) trans = mtransforms.blended_transform_factory( self.transData, self.transAxes) l = mlines.Line2D([x,x], [ymin,ymax] , transform=trans, **kwargs) l.y_isdata = False self.add_line(l) self.autoscale_view(scalex=scalex, scaley=False) return l axvline.__doc__ = cbook.dedent(axvline.__doc__) % martist.kwdocd def axhspan(self, ymin, ymax, xmin=0, xmax=1, **kwargs): """ call signature:: axhspan(ymin, ymax, xmin=0, xmax=1, **kwargs) Axis Horizontal Span. *y* coords are in data units and *x* coords are in axes (relative 0-1) units. Draw a horizontal span (rectangle) from *ymin* to *ymax*. With the default values of *xmin* = 0 and *xmax* = 1, this always spans the xrange, regardless of the xlim settings, even if you change them, eg. with the :meth:`set_xlim` command. That is, the horizontal extent is in axes coords: 0=left, 0.5=middle, 1.0=right but the *y* location is in data coordinates. Return value is a :class:`matplotlib.patches.Polygon` instance. Examples: * draw a gray rectangle from *y* = 0.25-0.75 that spans the horizontal extent of the axes >>> axhspan(0.25, 0.75, facecolor='0.5', alpha=0.5) Valid kwargs are :class:`~matplotlib.patches.Polygon` properties: %(Polygon)s **Example:** .. plot:: mpl_examples/pylab_examples/axhspan_demo.py """ trans = mtransforms.blended_transform_factory( self.transAxes, self.transData) # process the unit information self._process_unit_info( [xmin, xmax], [ymin, ymax], kwargs=kwargs ) # first we need to strip away the units xmin, xmax = self.convert_xunits( [xmin, xmax] ) ymin, ymax = self.convert_yunits( [ymin, ymax] ) verts = (xmin, ymin), (xmin, ymax), (xmax, ymax), (xmax, ymin) p = mpatches.Polygon(verts, **kwargs) p.set_transform(trans) p.x_isdata = False self.add_patch(p) return p axhspan.__doc__ = cbook.dedent(axhspan.__doc__) % martist.kwdocd def axvspan(self, xmin, xmax, ymin=0, ymax=1, **kwargs): """ call signature:: axvspan(xmin, xmax, ymin=0, ymax=1, **kwargs) Axis Vertical Span. *x* coords are in data units and *y* coords are in axes (relative 0-1) units. Draw a vertical span (rectangle) from *xmin* to *xmax*. With the default values of *ymin* = 0 and *ymax* = 1, this always spans the yrange, regardless of the ylim settings, even if you change them, eg. with the :meth:`set_ylim` command. That is, the vertical extent is in axes coords: 0=bottom, 0.5=middle, 1.0=top but the *y* location is in data coordinates. Return value is the :class:`matplotlib.patches.Polygon` instance. Examples: * draw a vertical green translucent rectangle from x=1.25 to 1.55 that spans the yrange of the axes >>> axvspan(1.25, 1.55, facecolor='g', alpha=0.5) Valid kwargs are :class:`~matplotlib.patches.Polygon` properties: %(Polygon)s .. seealso:: :meth:`axhspan`: for example plot and source code """ trans = mtransforms.blended_transform_factory( self.transData, self.transAxes) # process the unit information self._process_unit_info( [xmin, xmax], [ymin, ymax], kwargs=kwargs ) # first we need to strip away the units xmin, xmax = self.convert_xunits( [xmin, xmax] ) ymin, ymax = self.convert_yunits( [ymin, ymax] ) verts = [(xmin, ymin), (xmin, ymax), (xmax, ymax), (xmax, ymin)] p = mpatches.Polygon(verts, **kwargs) p.set_transform(trans) p.y_isdata = False self.add_patch(p) return p axvspan.__doc__ = cbook.dedent(axvspan.__doc__) % martist.kwdocd def hlines(self, y, xmin, xmax, colors='k', linestyles='solid', label='', **kwargs): """ call signature:: hlines(y, xmin, xmax, colors='k', linestyles='solid', **kwargs) Plot horizontal lines at each *y* from *xmin* to *xmax*. Returns the :class:`~matplotlib.collections.LineCollection` that was added. Required arguments: *y*: a 1-D numpy array or iterable. *xmin* and *xmax*: can be scalars or ``len(x)`` numpy arrays. If they are scalars, then the respective values are constant, else the widths of the lines are determined by *xmin* and *xmax*. Optional keyword arguments: *colors*: a line collections color argument, either a single color or a ``len(y)`` list of colors *linestyles*: [ 'solid' | 'dashed' | 'dashdot' | 'dotted' ] **Example:** .. plot:: mpl_examples/pylab_examples/hline_demo.py """ if kwargs.get('fmt') is not None: raise DeprecationWarning('hlines now uses a ' 'collections.LineCollection and not a ' 'list of Line2D to draw; see API_CHANGES') # We do the conversion first since not all unitized data is uniform y = self.convert_yunits( y ) xmin = self.convert_xunits( xmin ) xmax = self.convert_xunits( xmax ) if not iterable(y): y = [y] if not iterable(xmin): xmin = [xmin] if not iterable(xmax): xmax = [xmax] y = np.asarray(y) xmin = np.asarray(xmin) xmax = np.asarray(xmax) if len(xmin)==1: xmin = np.resize( xmin, y.shape ) if len(xmax)==1: xmax = np.resize( xmax, y.shape ) if len(xmin)!=len(y): raise ValueError, 'xmin and y are unequal sized sequences' if len(xmax)!=len(y): raise ValueError, 'xmax and y are unequal sized sequences' verts = [ ((thisxmin, thisy), (thisxmax, thisy)) for thisxmin, thisxmax, thisy in zip(xmin, xmax, y)] coll = mcoll.LineCollection(verts, colors=colors, linestyles=linestyles, label=label) self.add_collection(coll) coll.update(kwargs) minx = min(xmin.min(), xmax.min()) maxx = max(xmin.max(), xmax.max()) miny = y.min() maxy = y.max() corners = (minx, miny), (maxx, maxy) self.update_datalim(corners) self.autoscale_view() return coll hlines.__doc__ = cbook.dedent(hlines.__doc__) def vlines(self, x, ymin, ymax, colors='k', linestyles='solid', label='', **kwargs): """ call signature:: vlines(x, ymin, ymax, color='k', linestyles='solid') Plot vertical lines at each *x* from *ymin* to *ymax*. *ymin* or *ymax* can be scalars or len(*x*) numpy arrays. If they are scalars, then the respective values are constant, else the heights of the lines are determined by *ymin* and *ymax*. *colors* a line collections color args, either a single color or a len(*x*) list of colors *linestyles* one of [ 'solid' | 'dashed' | 'dashdot' | 'dotted' ] Returns the :class:`matplotlib.collections.LineCollection` that was added. kwargs are :class:`~matplotlib.collections.LineCollection` properties: %(LineCollection)s """ if kwargs.get('fmt') is not None: raise DeprecationWarning('vlines now uses a ' 'collections.LineCollection and not a ' 'list of Line2D to draw; see API_CHANGES') self._process_unit_info(xdata=x, ydata=ymin, kwargs=kwargs) # We do the conversion first since not all unitized data is uniform x = self.convert_xunits( x ) ymin = self.convert_yunits( ymin ) ymax = self.convert_yunits( ymax ) if not iterable(x): x = [x] if not iterable(ymin): ymin = [ymin] if not iterable(ymax): ymax = [ymax] x = np.asarray(x) ymin = np.asarray(ymin) ymax = np.asarray(ymax) if len(ymin)==1: ymin = np.resize( ymin, x.shape ) if len(ymax)==1: ymax = np.resize( ymax, x.shape ) if len(ymin)!=len(x): raise ValueError, 'ymin and x are unequal sized sequences' if len(ymax)!=len(x): raise ValueError, 'ymax and x are unequal sized sequences' Y = np.array([ymin, ymax]).T verts = [ ((thisx, thisymin), (thisx, thisymax)) for thisx, (thisymin, thisymax) in zip(x,Y)] #print 'creating line collection' coll = mcoll.LineCollection(verts, colors=colors, linestyles=linestyles, label=label) self.add_collection(coll) coll.update(kwargs) minx = min( x ) maxx = max( x ) miny = min( min(ymin), min(ymax) ) maxy = max( max(ymin), max(ymax) ) corners = (minx, miny), (maxx, maxy) self.update_datalim(corners) self.autoscale_view() return coll vlines.__doc__ = cbook.dedent(vlines.__doc__) % martist.kwdocd #### Basic plotting def plot(self, *args, **kwargs): """ Plot lines and/or markers to the :class:`~matplotlib.axes.Axes`. *args* is a variable length argument, allowing for multiple *x*, *y* pairs with an optional format string. For example, each of the following is legal:: plot(x, y) # plot x and y using default line style and color plot(x, y, 'bo') # plot x and y using blue circle markers plot(y) # plot y using x as index array 0..N-1 plot(y, 'r+') # ditto, but with red plusses If *x* and/or *y* is 2-dimensional, then the corresponding columns will be plotted. An arbitrary number of *x*, *y*, *fmt* groups can be specified, as in:: a.plot(x1, y1, 'g^', x2, y2, 'g-') Return value is a list of lines that were added. The following format string characters are accepted to control the line style or marker: ================ =============================== character description ================ =============================== '-' solid line style '--' dashed line style '-.' dash-dot line style ':' dotted line style '.' point marker ',' pixel marker 'o' circle marker 'v' triangle_down marker '^' triangle_up marker '<' triangle_left marker '>' triangle_right marker '1' tri_down marker '2' tri_up marker '3' tri_left marker '4' tri_right marker 's' square marker 'p' pentagon marker '*' star marker 'h' hexagon1 marker 'H' hexagon2 marker '+' plus marker 'x' x marker 'D' diamond marker 'd' thin_diamond marker '|' vline marker '_' hline marker ================ =============================== The following color abbreviations are supported: ========== ======== character color ========== ======== 'b' blue 'g' green 'r' red 'c' cyan 'm' magenta 'y' yellow 'k' black 'w' white ========== ======== In addition, you can specify colors in many weird and wonderful ways, including full names (``'green'``), hex strings (``'#008000'``), RGB or RGBA tuples (``(0,1,0,1)``) or grayscale intensities as a string (``'0.8'``). Of these, the string specifications can be used in place of a ``fmt`` group, but the tuple forms can be used only as ``kwargs``. Line styles and colors are combined in a single format string, as in ``'bo'`` for blue circles. The *kwargs* can be used to set line properties (any property that has a ``set_*`` method). You can use this to set a line label (for auto legends), linewidth, anitialising, marker face color, etc. Here is an example:: plot([1,2,3], [1,2,3], 'go-', label='line 1', linewidth=2) plot([1,2,3], [1,4,9], 'rs', label='line 2') axis([0, 4, 0, 10]) legend() If you make multiple lines with one plot command, the kwargs apply to all those lines, e.g.:: plot(x1, y1, x2, y2, antialised=False) Neither line will be antialiased. You do not need to use format strings, which are just abbreviations. All of the line properties can be controlled by keyword arguments. For example, you can set the color, marker, linestyle, and markercolor with:: plot(x, y, color='green', linestyle='dashed', marker='o', markerfacecolor='blue', markersize=12). See :class:`~matplotlib.lines.Line2D` for details. The kwargs are :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s kwargs *scalex* and *scaley*, if defined, are passed on to :meth:`~matplotlib.axes.Axes.autoscale_view` to determine whether the *x* and *y* axes are autoscaled; the default is *True*. """ scalex = kwargs.pop( 'scalex', True) scaley = kwargs.pop( 'scaley', True) if not self._hold: self.cla() lines = [] for line in self._get_lines(*args, **kwargs): self.add_line(line) lines.append(line) self.autoscale_view(scalex=scalex, scaley=scaley) return lines plot.__doc__ = cbook.dedent(plot.__doc__) % martist.kwdocd def plot_date(self, x, y, fmt='bo', tz=None, xdate=True, ydate=False, **kwargs): """ call signature:: plot_date(x, y, fmt='bo', tz=None, xdate=True, ydate=False, **kwargs) Similar to the :func:`~matplotlib.pyplot.plot` command, except the *x* or *y* (or both) data is considered to be dates, and the axis is labeled accordingly. *x* and/or *y* can be a sequence of dates represented as float days since 0001-01-01 UTC. Keyword arguments: *fmt*: string The plot format string. *tz*: [ None | timezone string ] The time zone to use in labeling dates. If *None*, defaults to rc value. *xdate*: [ True | False ] If *True*, the *x*-axis will be labeled with dates. *ydate*: [ False | True ] If *True*, the *y*-axis will be labeled with dates. Note if you are using custom date tickers and formatters, it may be necessary to set the formatters/locators after the call to :meth:`plot_date` since :meth:`plot_date` will set the default tick locator to :class:`matplotlib.ticker.AutoDateLocator` (if the tick locator is not already set to a :class:`matplotlib.ticker.DateLocator` instance) and the default tick formatter to :class:`matplotlib.ticker.AutoDateFormatter` (if the tick formatter is not already set to a :class:`matplotlib.ticker.DateFormatter` instance). Valid kwargs are :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s .. seealso:: :mod:`~matplotlib.dates`: for helper functions :func:`~matplotlib.dates.date2num`, :func:`~matplotlib.dates.num2date` and :func:`~matplotlib.dates.drange`: for help on creating the required floating point dates. """ if not self._hold: self.cla() ret = self.plot(x, y, fmt, **kwargs) if xdate: self.xaxis_date(tz) if ydate: self.yaxis_date(tz) self.autoscale_view() return ret plot_date.__doc__ = cbook.dedent(plot_date.__doc__) % martist.kwdocd def loglog(self, *args, **kwargs): """ call signature:: loglog(*args, **kwargs) Make a plot with log scaling on the *x* and *y* axis. :func:`~matplotlib.pyplot.loglog` supports all the keyword arguments of :func:`~matplotlib.pyplot.plot` and :meth:`matplotlib.axes.Axes.set_xscale` / :meth:`matplotlib.axes.Axes.set_yscale`. Notable keyword arguments: *basex*/*basey*: scalar > 1 base of the *x*/*y* logarithm *subsx*/*subsy*: [ None | sequence ] the location of the minor *x*/*y* ticks; *None* defaults to autosubs, which depend on the number of decades in the plot; see :meth:`matplotlib.axes.Axes.set_xscale` / :meth:`matplotlib.axes.Axes.set_yscale` for details The remaining valid kwargs are :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s **Example:** .. plot:: mpl_examples/pylab_examples/log_demo.py """ if not self._hold: self.cla() dx = {'basex': kwargs.pop('basex', 10), 'subsx': kwargs.pop('subsx', None), } dy = {'basey': kwargs.pop('basey', 10), 'subsy': kwargs.pop('subsy', None), } self.set_xscale('log', **dx) self.set_yscale('log', **dy) b = self._hold self._hold = True # we've already processed the hold l = self.plot(*args, **kwargs) self._hold = b # restore the hold return l loglog.__doc__ = cbook.dedent(loglog.__doc__) % martist.kwdocd def semilogx(self, *args, **kwargs): """ call signature:: semilogx(*args, **kwargs) Make a plot with log scaling on the *x* axis. :func:`semilogx` supports all the keyword arguments of :func:`~matplotlib.pyplot.plot` and :meth:`matplotlib.axes.Axes.set_xscale`. Notable keyword arguments: *basex*: scalar > 1 base of the *x* logarithm *subsx*: [ None | sequence ] The location of the minor xticks; *None* defaults to autosubs, which depend on the number of decades in the plot; see :meth:`~matplotlib.axes.Axes.set_xscale` for details. The remaining valid kwargs are :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s .. seealso:: :meth:`loglog`: For example code and figure """ if not self._hold: self.cla() d = {'basex': kwargs.pop( 'basex', 10), 'subsx': kwargs.pop( 'subsx', None), } self.set_xscale('log', **d) b = self._hold self._hold = True # we've already processed the hold l = self.plot(*args, **kwargs) self._hold = b # restore the hold return l semilogx.__doc__ = cbook.dedent(semilogx.__doc__) % martist.kwdocd def semilogy(self, *args, **kwargs): """ call signature:: semilogy(*args, **kwargs) Make a plot with log scaling on the *y* axis. :func:`semilogy` supports all the keyword arguments of :func:`~matplotlib.pylab.plot` and :meth:`matplotlib.axes.Axes.set_yscale`. Notable keyword arguments: *basey*: scalar > 1 Base of the *y* logarithm *subsy*: [ None | sequence ] The location of the minor yticks; *None* defaults to autosubs, which depend on the number of decades in the plot; see :meth:`~matplotlib.axes.Axes.set_yscale` for details. The remaining valid kwargs are :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s .. seealso:: :meth:`loglog`: For example code and figure """ if not self._hold: self.cla() d = {'basey': kwargs.pop('basey', 10), 'subsy': kwargs.pop('subsy', None), } self.set_yscale('log', **d) b = self._hold self._hold = True # we've already processed the hold l = self.plot(*args, **kwargs) self._hold = b # restore the hold return l semilogy.__doc__ = cbook.dedent(semilogy.__doc__) % martist.kwdocd def acorr(self, x, **kwargs): """ call signature:: acorr(x, normed=False, detrend=mlab.detrend_none, usevlines=False, maxlags=None, **kwargs) Plot the autocorrelation of *x*. If *normed* = *True*, normalize the data by the autocorrelation at 0-th lag. *x* is detrended by the *detrend* callable (default no normalization). Data are plotted as ``plot(lags, c, **kwargs)`` Return value is a tuple (*lags*, *c*, *line*) where: - *lags* are a length 2*maxlags+1 lag vector - *c* is the 2*maxlags+1 auto correlation vector - *line* is a :class:`~matplotlib.lines.Line2D` instance returned by :meth:`plot` The default *linestyle* is None and the default *marker* is ``'o'``, though these can be overridden with keyword args. The cross correlation is performed with :func:`numpy.correlate` with *mode* = 2. If *usevlines* is *True*, :meth:`~matplotlib.axes.Axes.vlines` rather than :meth:`~matplotlib.axes.Axes.plot` is used to draw vertical lines from the origin to the acorr. Otherwise, the plot style is determined by the kwargs, which are :class:`~matplotlib.lines.Line2D` properties. *maxlags* is a positive integer detailing the number of lags to show. The default value of *None* will return all :math:`2 \mathrm{len}(x) - 1` lags. The return value is a tuple (*lags*, *c*, *linecol*, *b*) where - *linecol* is the :class:`~matplotlib.collections.LineCollection` - *b* is the *x*-axis. .. seealso:: :meth:`~matplotlib.axes.Axes.plot` or :meth:`~matplotlib.axes.Axes.vlines`: For documentation on valid kwargs. **Example:** :func:`~matplotlib.pyplot.xcorr` above, and :func:`~matplotlib.pyplot.acorr` below. **Example:** .. plot:: mpl_examples/pylab_examples/xcorr_demo.py """ return self.xcorr(x, x, **kwargs) acorr.__doc__ = cbook.dedent(acorr.__doc__) % martist.kwdocd def xcorr(self, x, y, normed=False, detrend=mlab.detrend_none, usevlines=False, maxlags=None, **kwargs): """ call signature:: xcorr(x, y, normed=False, detrend=mlab.detrend_none, usevlines=False, **kwargs): Plot the cross correlation between *x* and *y*. If *normed* = *True*, normalize the data by the cross correlation at 0-th lag. *x* and y are detrended by the *detrend* callable (default no normalization). *x* and *y* must be equal length. Data are plotted as ``plot(lags, c, **kwargs)`` Return value is a tuple (*lags*, *c*, *line*) where: - *lags* are a length ``2*maxlags+1`` lag vector - *c* is the ``2*maxlags+1`` auto correlation vector - *line* is a :class:`~matplotlib.lines.Line2D` instance returned by :func:`~matplotlib.pyplot.plot`. The default *linestyle* is *None* and the default *marker* is 'o', though these can be overridden with keyword args. The cross correlation is performed with :func:`numpy.correlate` with *mode* = 2. If *usevlines* is *True*: :func:`~matplotlib.pyplot.vlines` rather than :func:`~matplotlib.pyplot.plot` is used to draw vertical lines from the origin to the xcorr. Otherwise the plotstyle is determined by the kwargs, which are :class:`~matplotlib.lines.Line2D` properties. The return value is a tuple (*lags*, *c*, *linecol*, *b*) where *linecol* is the :class:`matplotlib.collections.LineCollection` instance and *b* is the *x*-axis. *maxlags* is a positive integer detailing the number of lags to show. The default value of *None* will return all ``(2*len(x)-1)`` lags. **Example:** :func:`~matplotlib.pyplot.xcorr` above, and :func:`~matplotlib.pyplot.acorr` below. **Example:** .. plot:: mpl_examples/pylab_examples/xcorr_demo.py """ Nx = len(x) if Nx!=len(y): raise ValueError('x and y must be equal length') x = detrend(np.asarray(x)) y = detrend(np.asarray(y)) c = np.correlate(x, y, mode=2) if normed: c/= np.sqrt(np.dot(x,x) * np.dot(y,y)) if maxlags is None: maxlags = Nx - 1 if maxlags >= Nx or maxlags < 1: raise ValueError('maglags must be None or strictly ' 'positive < %d'%Nx) lags = np.arange(-maxlags,maxlags+1) c = c[Nx-1-maxlags:Nx+maxlags] if usevlines: a = self.vlines(lags, [0], c, **kwargs) b = self.axhline(**kwargs) else: kwargs.setdefault('marker', 'o') kwargs.setdefault('linestyle', 'None') a, = self.plot(lags, c, **kwargs) b = None return lags, c, a, b xcorr.__doc__ = cbook.dedent(xcorr.__doc__) % martist.kwdocd def legend(self, *args, **kwargs): """ call signature:: legend(*args, **kwargs) Place a legend on the current axes at location *loc*. Labels are a sequence of strings and *loc* can be a string or an integer specifying the legend location. To make a legend with existing lines:: legend() :meth:`legend` by itself will try and build a legend using the label property of the lines/patches/collections. You can set the label of a line by doing:: plot(x, y, label='my data') or:: line.set_label('my data'). If label is set to '_nolegend_', the item will not be shown in legend. To automatically generate the legend from labels:: legend( ('label1', 'label2', 'label3') ) To make a legend for a list of lines and labels:: legend( (line1, line2, line3), ('label1', 'label2', 'label3') ) To make a legend at a given location, using a location argument:: legend( ('label1', 'label2', 'label3'), loc='upper left') or:: legend( (line1, line2, line3), ('label1', 'label2', 'label3'), loc=2) The location codes are =============== ============= Location String Location Code =============== ============= 'best' 0 'upper right' 1 'upper left' 2 'lower left' 3 'lower right' 4 'right' 5 'center left' 6 'center right' 7 'lower center' 8 'upper center' 9 'center' 10 =============== ============= If none of these are locations are suitable, loc can be a 2-tuple giving x,y in axes coords, ie:: loc = 0, 1 # left top loc = 0.5, 0.5 # center Keyword arguments: *isaxes*: [ True | False ] Indicates that this is an axes legend *numpoints*: integer The number of points in the legend line, default is 4 *prop*: [ None | FontProperties ] A :class:`matplotlib.font_manager.FontProperties` instance, or *None* to use rc settings. *pad*: [ None | scalar ] The fractional whitespace inside the legend border, between 0 and 1. If *None*, use rc settings. *markerscale*: [ None | scalar ] The relative size of legend markers vs. original. If *None*, use rc settings. *shadow*: [ None | False | True ] If *True*, draw a shadow behind legend. If *None*, use rc settings. *labelsep*: [ None | scalar ] The vertical space between the legend entries. If *None*, use rc settings. *handlelen*: [ None | scalar ] The length of the legend lines. If *None*, use rc settings. *handletextsep*: [ None | scalar ] The space between the legend line and legend text. If *None*, use rc settings. *axespad*: [ None | scalar ] The border between the axes and legend edge. If *None*, use rc settings. **Example:** .. plot:: mpl_examples/api/legend_demo.py """ def get_handles(): handles = self.lines[:] handles.extend(self.patches) handles.extend([c for c in self.collections if isinstance(c, mcoll.LineCollection)]) handles.extend([c for c in self.collections if isinstance(c, mcoll.RegularPolyCollection)]) return handles if len(args)==0: handles = [] labels = [] for handle in get_handles(): label = handle.get_label() if (label is not None and label != '' and not label.startswith('_')): handles.append(handle) labels.append(label) if len(handles) == 0: warnings.warn("No labeled objects found. " "Use label='...' kwarg on individual plots.") return None elif len(args)==1: # LABELS labels = args[0] handles = [h for h, label in zip(get_handles(), labels)] elif len(args)==2: if is_string_like(args[1]) or isinstance(args[1], int): # LABELS, LOC labels, loc = args handles = [h for h, label in zip(get_handles(), labels)] kwargs['loc'] = loc else: # LINES, LABELS handles, labels = args elif len(args)==3: # LINES, LABELS, LOC handles, labels, loc = args kwargs['loc'] = loc else: raise TypeError('Invalid arguments to legend') handles = cbook.flatten(handles) self.legend_ = mlegend.Legend(self, handles, labels, **kwargs) return self.legend_ #### Specialized plotting def step(self, x, y, *args, **kwargs): ''' call signature:: step(x, y, *args, **kwargs) Make a step plot. Additional keyword args to :func:`step` are the same as those for :func:`~matplotlib.pyplot.plot`. *x* and *y* must be 1-D sequences, and it is assumed, but not checked, that *x* is uniformly increasing. Keyword arguments: *where*: [ 'pre' | 'post' | 'mid' ] If 'pre', the interval from x[i] to x[i+1] has level y[i] If 'post', that interval has level y[i+1] If 'mid', the jumps in *y* occur half-way between the *x*-values. ''' where = kwargs.pop('where', 'pre') if where not in ('pre', 'post', 'mid'): raise ValueError("'where' argument to step must be " "'pre', 'post' or 'mid'") kwargs['linestyle'] = 'steps-' + where return self.plot(x, y, *args, **kwargs) def bar(self, left, height, width=0.8, bottom=None, color=None, edgecolor=None, linewidth=None, yerr=None, xerr=None, ecolor=None, capsize=3, align='edge', orientation='vertical', log=False, **kwargs ): """ call signature:: bar(left, height, width=0.8, bottom=0, color=None, edgecolor=None, linewidth=None, yerr=None, xerr=None, ecolor=None, capsize=3, align='edge', orientation='vertical', log=False) Make a bar plot with rectangles bounded by: *left*, *left* + *width*, *bottom*, *bottom* + *height* (left, right, bottom and top edges) *left*, *height*, *width*, and *bottom* can be either scalars or sequences Return value is a list of :class:`matplotlib.patches.Rectangle` instances. Required arguments: ======== =============================================== Argument Description ======== =============================================== *left* the x coordinates of the left sides of the bars *height* the heights of the bars ======== =============================================== Optional keyword arguments: =============== ========================================== Keyword Description =============== ========================================== *width* the widths of the bars *bottom* the y coordinates of the bottom edges of the bars *color* the colors of the bars *edgecolor* the colors of the bar edges *linewidth* width of bar edges; None means use default linewidth; 0 means don't draw edges. *xerr* if not None, will be used to generate errorbars on the bar chart *yerr* if not None, will be used to generate errorbars on the bar chart *ecolor* specifies the color of any errorbar *capsize* (default 3) determines the length in points of the error bar caps *align* 'edge' (default) | 'center' *orientation* 'vertical' | 'horizontal' *log* [False|True] False (default) leaves the orientation axis as-is; True sets it to log scale =============== ========================================== For vertical bars, *align* = 'edge' aligns bars by their left edges in left, while *align* = 'center' interprets these values as the *x* coordinates of the bar centers. For horizontal bars, *align* = 'edge' aligns bars by their bottom edges in bottom, while *align* = 'center' interprets these values as the *y* coordinates of the bar centers. The optional arguments *color*, *edgecolor*, *linewidth*, *xerr*, and *yerr* can be either scalars or sequences of length equal to the number of bars. This enables you to use bar as the basis for stacked bar charts, or candlestick plots. Other optional kwargs: %(Rectangle)s **Example:** A stacked bar chart. .. plot:: mpl_examples/pylab_examples/bar_stacked.py """ if not self._hold: self.cla() label = kwargs.pop('label', '') def make_iterable(x): if not iterable(x): return [x] else: return x # make them safe to take len() of _left = left left = make_iterable(left) height = make_iterable(height) width = make_iterable(width) _bottom = bottom bottom = make_iterable(bottom) linewidth = make_iterable(linewidth) adjust_ylim = False adjust_xlim = False if orientation == 'vertical': self._process_unit_info(xdata=left, ydata=height, kwargs=kwargs) if log: self.set_yscale('log') # size width and bottom according to length of left if _bottom is None: if self.get_yscale() == 'log': bottom = [1e-100] adjust_ylim = True else: bottom = [0] nbars = len(left) if len(width) == 1: width *= nbars if len(bottom) == 1: bottom *= nbars elif orientation == 'horizontal': self._process_unit_info(xdata=width, ydata=bottom, kwargs=kwargs) if log: self.set_xscale('log') # size left and height according to length of bottom if _left is None: if self.get_xscale() == 'log': left = [1e-100] adjust_xlim = True else: left = [0] nbars = len(bottom) if len(left) == 1: left *= nbars if len(height) == 1: height *= nbars else: raise ValueError, 'invalid orientation: {0!s}'.format(orientation) # do not convert to array here as unit info is lost #left = np.asarray(left) #height = np.asarray(height) #width = np.asarray(width) #bottom = np.asarray(bottom) if len(linewidth) < nbars: linewidth *= nbars if color is None: color = [None] * nbars else: color = list(mcolors.colorConverter.to_rgba_array(color)) if len(color) < nbars: color *= nbars if edgecolor is None: edgecolor = [None] * nbars else: edgecolor = list(mcolors.colorConverter.to_rgba_array(edgecolor)) if len(edgecolor) < nbars: edgecolor *= nbars if yerr is not None: if not iterable(yerr): yerr = [yerr]*nbars if xerr is not None: if not iterable(xerr): xerr = [xerr]*nbars # FIXME: convert the following to proper input validation # raising ValueError; don't use assert for this. assert len(left)==nbars, "argument 'left' must be {0:d} or scalar".format(nbars) assert len(height)==nbars, ("argument 'height' must be {0:d} or scalar".format( nbars)) assert len(width)==nbars, ("argument 'width' must be {0:d} or scalar".format( nbars)) assert len(bottom)==nbars, ("argument 'bottom' must be {0:d} or scalar".format( nbars)) if yerr is not None and len(yerr)!=nbars: raise ValueError( "bar() argument 'yerr' must be len({0!s}) or scalar".format(nbars)) if xerr is not None and len(xerr)!=nbars: raise ValueError( "bar() argument 'xerr' must be len({0!s}) or scalar".format(nbars)) patches = [] # lets do some conversions now since some types cannot be # subtracted uniformly if self.xaxis is not None: xconv = self.xaxis.converter if xconv is not None: units = self.xaxis.get_units() left = xconv.convert( left, units ) width = xconv.convert( width, units ) if self.yaxis is not None: yconv = self.yaxis.converter if yconv is not None : units = self.yaxis.get_units() bottom = yconv.convert( bottom, units ) height = yconv.convert( height, units ) if align == 'edge': pass elif align == 'center': if orientation == 'vertical': left = [left[i] - width[i]/2. for i in xrange(len(left))] elif orientation == 'horizontal': bottom = [bottom[i] - height[i]/2. for i in xrange(len(bottom))] else: raise ValueError, 'invalid alignment: {0!s}'.format(align) args = zip(left, bottom, width, height, color, edgecolor, linewidth) for l, b, w, h, c, e, lw in args: if h<0: b += h h = abs(h) if w<0: l += w w = abs(w) r = mpatches.Rectangle( xy=(l, b), width=w, height=h, facecolor=c, edgecolor=e, linewidth=lw, label=label ) label = '_nolegend_' r.update(kwargs) #print r.get_label(), label, 'label' in kwargs self.add_patch(r) patches.append(r) holdstate = self._hold self.hold(True) # ensure hold is on before plotting errorbars if xerr is not None or yerr is not None: if orientation == 'vertical': # using list comps rather than arrays to preserve unit info x = [l+0.5*w for l, w in zip(left, width)] y = [b+h for b,h in zip(bottom, height)] elif orientation == 'horizontal': # using list comps rather than arrays to preserve unit info x = [l+w for l,w in zip(left, width)] y = [b+0.5*h for b,h in zip(bottom, height)] self.errorbar( x, y, yerr=yerr, xerr=xerr, fmt=None, ecolor=ecolor, capsize=capsize) self.hold(holdstate) # restore previous hold state if adjust_xlim: xmin, xmax = self.dataLim.intervalx xmin = np.amin(width[width!=0]) # filter out the 0 width rects if xerr is not None: xmin = xmin - np.amax(xerr) xmin = max(xmin*0.9, 1e-100) self.dataLim.intervalx = (xmin, xmax) if adjust_ylim: ymin, ymax = self.dataLim.intervaly ymin = np.amin(height[height!=0]) # filter out the 0 height rects if yerr is not None: ymin = ymin - np.amax(yerr) ymin = max(ymin*0.9, 1e-100) self.dataLim.intervaly = (ymin, ymax) self.autoscale_view() return patches bar.__doc__ = cbook.dedent(bar.__doc__) % martist.kwdocd def barh(self, bottom, width, height=0.8, left=None, **kwargs): """ call signature:: barh(bottom, width, height=0.8, left=0, **kwargs) Make a horizontal bar plot with rectangles bounded by: *left*, *left* + *width*, *bottom*, *bottom* + *height* (left, right, bottom and top edges) *bottom*, *width*, *height*, and *left* can be either scalars or sequences Return value is a list of :class:`matplotlib.patches.Rectangle` instances. Required arguments: ======== ====================================================== Argument Description ======== ====================================================== *bottom* the vertical positions of the bottom edges of the bars *width* the lengths of the bars ======== ====================================================== Optional keyword arguments: =============== ========================================== Keyword Description =============== ========================================== *height* the heights (thicknesses) of the bars *left* the x coordinates of the left edges of the bars *color* the colors of the bars *edgecolor* the colors of the bar edges *linewidth* width of bar edges; None means use default linewidth; 0 means don't draw edges. *xerr* if not None, will be used to generate errorbars on the bar chart *yerr* if not None, will be used to generate errorbars on the bar chart *ecolor* specifies the color of any errorbar *capsize* (default 3) determines the length in points of the error bar caps *align* 'edge' (default) | 'center' *log* [False|True] False (default) leaves the horizontal axis as-is; True sets it to log scale =============== ========================================== Setting *align* = 'edge' aligns bars by their bottom edges in bottom, while *align* = 'center' interprets these values as the *y* coordinates of the bar centers. The optional arguments *color*, *edgecolor*, *linewidth*, *xerr*, and *yerr* can be either scalars or sequences of length equal to the number of bars. This enables you to use barh as the basis for stacked bar charts, or candlestick plots. other optional kwargs: %(Rectangle)s """ patches = self.bar(left=left, height=height, width=width, bottom=bottom, orientation='horizontal', **kwargs) return patches barh.__doc__ = cbook.dedent(barh.__doc__) % martist.kwdocd def broken_barh(self, xranges, yrange, **kwargs): """ call signature:: broken_barh(self, xranges, yrange, **kwargs) A collection of horizontal bars spanning *yrange* with a sequence of *xranges*. Required arguments: ========= ============================== Argument Description ========= ============================== *xranges* sequence of (*xmin*, *xwidth*) *yrange* sequence of (*ymin*, *ywidth*) ========= ============================== kwargs are :class:`matplotlib.collections.BrokenBarHCollection` properties: %(BrokenBarHCollection)s these can either be a single argument, ie:: facecolors = 'black' or a sequence of arguments for the various bars, ie:: facecolors = ('black', 'red', 'green') **Example:** .. plot:: mpl_examples/pylab_examples/broken_barh.py """ col = mcoll.BrokenBarHCollection(xranges, yrange, **kwargs) self.add_collection(col, autolim=True) self.autoscale_view() return col broken_barh.__doc__ = cbook.dedent(broken_barh.__doc__) % martist.kwdocd def stem(self, x, y, linefmt='b-', markerfmt='bo', basefmt='r-'): """ call signature:: stem(x, y, linefmt='b-', markerfmt='bo', basefmt='r-') A stem plot plots vertical lines (using *linefmt*) at each *x* location from the baseline to *y*, and places a marker there using *markerfmt*. A horizontal line at 0 is is plotted using *basefmt*. Return value is a tuple (*markerline*, *stemlines*, *baseline*). .. seealso:: `this document`__ for details :file:`examples/pylab_examples/stem_plot.py`: for a demo __ http://www.mathworks.com/access/helpdesk/help/techdoc/ref/stem.html """ remember_hold=self._hold if not self._hold: self.cla() self.hold(True) markerline, = self.plot(x, y, markerfmt) stemlines = [] for thisx, thisy in zip(x, y): l, = self.plot([thisx,thisx], [0, thisy], linefmt) stemlines.append(l) baseline, = self.plot([np.amin(x), np.amax(x)], [0,0], basefmt) self.hold(remember_hold) return markerline, stemlines, baseline def pie(self, x, explode=None, labels=None, colors=None, autopct=None, pctdistance=0.6, shadow=False, labeldistance=1.1): r""" call signature:: pie(x, explode=None, labels=None, colors=('b', 'g', 'r', 'c', 'm', 'y', 'k', 'w'), autopct=None, pctdistance=0.6, labeldistance=1.1, shadow=False) Make a pie chart of array *x*. The fractional area of each wedge is given by x/sum(x). If sum(x) <= 1, then the values of x give the fractional area directly and the array will not be normalized. Keyword arguments: *explode*: [ None | len(x) sequence ] If not *None*, is a len(*x*) array which specifies the fraction of the radius with which to offset each wedge. *colors*: [ None | color sequence ] A sequence of matplotlib color args through which the pie chart will cycle. *labels*: [ None | len(x) sequence of strings ] A sequence of strings providing the labels for each wedge *autopct*: [ None | format string | format function ] If not *None*, is a string or function used to label the wedges with their numeric value. The label will be placed inside the wedge. If it is a format string, the label will be ``fmt%pct``. If it is a function, it will be called. *pctdistance*: scalar The ratio between the center of each pie slice and the start of the text generated by *autopct*. Ignored if *autopct* is *None*; default is 0.6. *labeldistance*: scalar The radial distance at which the pie labels are drawn *shadow*: [ False | True ] Draw a shadow beneath the pie. The pie chart will probably look best if the figure and axes are square. Eg.:: figure(figsize=(8,8)) ax = axes([0.1, 0.1, 0.8, 0.8]) Return value: If *autopct* is None, return the tuple (*patches*, *texts*): - *patches* is a sequence of :class:`matplotlib.patches.Wedge` instances - *texts* is a list of the label :class:`matplotlib.text.Text` instances. If *autopct* is not *None*, return the tuple (*patches*, *texts*, *autotexts*), where *patches* and *texts* are as above, and *autotexts* is a list of :class:`~matplotlib.text.Text` instances for the numeric labels. """ self.set_frame_on(False) x = np.asarray(x).astype(np.float32) sx = float(x.sum()) if sx>1: x = np.divide(x,sx) if labels is None: labels = ['']*len(x) if explode is None: explode = [0]*len(x) assert(len(x)==len(labels)) assert(len(x)==len(explode)) if colors is None: colors = ('b', 'g', 'r', 'c', 'm', 'y', 'k', 'w') center = 0,0 radius = 1 theta1 = 0 i = 0 texts = [] slices = [] autotexts = [] for frac, label, expl in cbook.safezip(x,labels, explode): x, y = center theta2 = theta1 + frac thetam = 2*math.pi*0.5*(theta1+theta2) x += expl*math.cos(thetam) y += expl*math.sin(thetam) w = mpatches.Wedge((x,y), radius, 360.*theta1, 360.*theta2, facecolor=colors[i%len(colors)]) slices.append(w) self.add_patch(w) w.set_label(label) if shadow: # make sure to add a shadow after the call to # add_patch so the figure and transform props will be # set shad = mpatches.Shadow(w, -0.02, -0.02, #props={'facecolor':w.get_facecolor()} ) shad.set_zorder(0.9*w.get_zorder()) self.add_patch(shad) xt = x + labeldistance*radius*math.cos(thetam) yt = y + labeldistance*radius*math.sin(thetam) label_alignment = xt > 0 and 'left' or 'right' t = self.text(xt, yt, label, size=rcParams['xtick.labelsize'], horizontalalignment=label_alignment, verticalalignment='center') texts.append(t) if autopct is not None: xt = x + pctdistance*radius*math.cos(thetam) yt = y + pctdistance*radius*math.sin(thetam) if is_string_like(autopct): s = autopct%(100.*frac) elif callable(autopct): s = autopct(100.*frac) else: raise TypeError( 'autopct must be callable or a format string') t = self.text(xt, yt, s, horizontalalignment='center', verticalalignment='center') autotexts.append(t) theta1 = theta2 i += 1 self.set_xlim((-1.25, 1.25)) self.set_ylim((-1.25, 1.25)) self.set_xticks([]) self.set_yticks([]) if autopct is None: return slices, texts else: return slices, texts, autotexts def errorbar(self, x, y, yerr=None, xerr=None, fmt='-', ecolor=None, elinewidth=None, capsize=3, barsabove=False, lolims=False, uplims=False, xlolims=False, xuplims=False, **kwargs): """ call signature:: errorbar(x, y, yerr=None, xerr=None, fmt='-', ecolor=None, elinewidth=None, capsize=3, barsabove=False, lolims=False, uplims=False, xlolims=False, xuplims=False) Plot *x* versus *y* with error deltas in *yerr* and *xerr*. Vertical errorbars are plotted if *yerr* is not *None*. Horizontal errorbars are plotted if *xerr* is not *None*. *x*, *y*, *xerr*, and *yerr* can all be scalars, which plots a single error bar at *x*, *y*. Optional keyword arguments: *xerr*/*yerr*: [ scalar | N, Nx1, Nx2 array-like ] If a scalar number, len(N) array-like object, or an Nx1 array-like object, errorbars are drawn +/- value. If a rank-1, Nx2 Numpy array, errorbars are drawn at -column1 and +column2 *fmt*: '-' The plot format symbol for *y*. If *fmt* is *None*, just plot the errorbars with no line symbols. This can be useful for creating a bar plot with errorbars. *ecolor*: [ None | mpl color ] a matplotlib color arg which gives the color the errorbar lines; if *None*, use the marker color. *elinewidth*: scalar the linewidth of the errorbar lines. If *None*, use the linewidth. *capsize*: scalar the size of the error bar caps in points *barsabove*: [ True | False ] if *True*, will plot the errorbars above the plot symbols. Default is below. *lolims*/*uplims*/*xlolims*/*xuplims*: [ False | True ] These arguments can be used to indicate that a value gives only upper/lower limits. In that case a caret symbol is used to indicate this. lims-arguments may be of the same type as *xerr* and *yerr*. All other keyword arguments are passed on to the plot command for the markers, so you can add additional key=value pairs to control the errorbar markers. For example, this code makes big red squares with thick green edges:: x,y,yerr = rand(3,10) errorbar(x, y, yerr, marker='s', mfc='red', mec='green', ms=20, mew=4) where *mfc*, *mec*, *ms* and *mew* are aliases for the longer property names, *markerfacecolor*, *markeredgecolor*, *markersize* and *markeredgewith*. valid kwargs for the marker properties are %(Line2D)s Return value is a length 3 tuple. The first element is the :class:`~matplotlib.lines.Line2D` instance for the *y* symbol lines. The second element is a list of error bar cap lines, the third element is a list of :class:`~matplotlib.collections.LineCollection` instances for the horizontal and vertical error ranges. **Example:** .. plot:: mpl_examples/pylab_examples/errorbar_demo.py """ self._process_unit_info(xdata=x, ydata=y, kwargs=kwargs) if not self._hold: self.cla() # make sure all the args are iterable; use lists not arrays to # preserve units if not iterable(x): x = [x] if not iterable(y): y = [y] if xerr is not None: if not iterable(xerr): xerr = [xerr]*len(x) if yerr is not None: if not iterable(yerr): yerr = [yerr]*len(y) l0 = None if barsabove and fmt is not None: l0, = self.plot(x,y,fmt,**kwargs) barcols = [] caplines = [] lines_kw = {'label':'_nolegend_'} if elinewidth: lines_kw['linewidth'] = elinewidth else: if 'linewidth' in kwargs: lines_kw['linewidth']=kwargs['linewidth'] if 'lw' in kwargs: lines_kw['lw']=kwargs['lw'] if 'transform' in kwargs: lines_kw['transform'] = kwargs['transform'] # arrays fine here, they are booleans and hence not units if not iterable(lolims): lolims = np.asarray([lolims]*len(x), bool) else: lolims = np.asarray(lolims, bool) if not iterable(uplims): uplims = np.array([uplims]*len(x), bool) else: uplims = np.asarray(uplims, bool) if not iterable(xlolims): xlolims = np.array([xlolims]*len(x), bool) else: xlolims = np.asarray(xlolims, bool) if not iterable(xuplims): xuplims = np.array([xuplims]*len(x), bool) else: xuplims = np.asarray(xuplims, bool) def xywhere(xs, ys, mask): """ return xs[mask], ys[mask] where mask is True but xs and ys are not arrays """ assert len(xs)==len(ys) assert len(xs)==len(mask) xs = [thisx for thisx, b in zip(xs, mask) if b] ys = [thisy for thisy, b in zip(ys, mask) if b] return xs, ys if capsize > 0: plot_kw = { 'ms':2*capsize, 'label':'_nolegend_'} if 'markeredgewidth' in kwargs: plot_kw['markeredgewidth']=kwargs['markeredgewidth'] if 'mew' in kwargs: plot_kw['mew']=kwargs['mew'] if 'transform' in kwargs: plot_kw['transform'] = kwargs['transform'] if xerr is not None: if (iterable(xerr) and len(xerr)==2 and iterable(xerr[0]) and iterable(xerr[1])): # using list comps rather than arrays to preserve units left = [thisx-thiserr for (thisx, thiserr) in cbook.safezip(x,xerr[0])] right = [thisx+thiserr for (thisx, thiserr) in cbook.safezip(x,xerr[1])] else: # using list comps rather than arrays to preserve units left = [thisx-thiserr for (thisx, thiserr) in cbook.safezip(x,xerr)] right = [thisx+thiserr for (thisx, thiserr) in cbook.safezip(x,xerr)] barcols.append( self.hlines(y, left, right, **lines_kw ) ) if capsize > 0: if xlolims.any(): # can't use numpy logical indexing since left and # y are lists leftlo, ylo = xywhere(left, y, xlolims) caplines.extend( self.plot(leftlo, ylo, ls='None', marker=mlines.CARETLEFT, **plot_kw) ) xlolims = ~xlolims leftlo, ylo = xywhere(left, y, xlolims) caplines.extend( self.plot(leftlo, ylo, 'k|', **plot_kw) ) else: caplines.extend( self.plot(left, y, 'k|', **plot_kw) ) if xuplims.any(): rightup, yup = xywhere(right, y, xuplims) caplines.extend( self.plot(rightup, yup, ls='None', marker=mlines.CARETRIGHT, **plot_kw) ) xuplims = ~xuplims rightup, yup = xywhere(right, y, xuplims) caplines.extend( self.plot(rightup, yup, 'k|', **plot_kw) ) else: caplines.extend( self.plot(right, y, 'k|', **plot_kw) ) if yerr is not None: if (iterable(yerr) and len(yerr)==2 and iterable(yerr[0]) and iterable(yerr[1])): # using list comps rather than arrays to preserve units lower = [thisy-thiserr for (thisy, thiserr) in cbook.safezip(y,yerr[0])] upper = [thisy+thiserr for (thisy, thiserr) in cbook.safezip(y,yerr[1])] else: # using list comps rather than arrays to preserve units lower = [thisy-thiserr for (thisy, thiserr) in cbook.safezip(y,yerr)] upper = [thisy+thiserr for (thisy, thiserr) in cbook.safezip(y,yerr)] barcols.append( self.vlines(x, lower, upper, **lines_kw) ) if capsize > 0: if lolims.any(): xlo, lowerlo = xywhere(x, lower, lolims) caplines.extend( self.plot(xlo, lowerlo, ls='None', marker=mlines.CARETDOWN, **plot_kw) ) lolims = ~lolims xlo, lowerlo = xywhere(x, lower, lolims) caplines.extend( self.plot(xlo, lowerlo, 'k_', **plot_kw) ) else: caplines.extend( self.plot(x, lower, 'k_', **plot_kw) ) if uplims.any(): xup, upperup = xywhere(x, upper, uplims) caplines.extend( self.plot(xup, upperup, ls='None', marker=mlines.CARETUP, **plot_kw) ) uplims = ~uplims xup, upperup = xywhere(x, upper, uplims) caplines.extend( self.plot(xup, upperup, 'k_', **plot_kw) ) else: caplines.extend( self.plot(x, upper, 'k_', **plot_kw) ) if not barsabove and fmt is not None: l0, = self.plot(x,y,fmt,**kwargs) if ecolor is None: if l0 is None: ecolor = self._get_lines._get_next_cycle_color() else: ecolor = l0.get_color() for l in barcols: l.set_color(ecolor) for l in caplines: l.set_color(ecolor) self.autoscale_view() return (l0, caplines, barcols) errorbar.__doc__ = cbook.dedent(errorbar.__doc__) % martist.kwdocd def boxplot(self, x, notch=0, sym='b+', vert=1, whis=1.5, positions=None, widths=None): """ call signature:: boxplot(x, notch=0, sym='+', vert=1, whis=1.5, positions=None, widths=None) Make a box and whisker plot for each column of *x* or each vector in sequence *x*. The box extends from the lower to upper quartile values of the data, with a line at the median. The whiskers extend from the box to show the range of the data. Flier points are those past the end of the whiskers. - *notch* = 0 (default) produces a rectangular box plot. - *notch* = 1 will produce a notched box plot *sym* (default 'b+') is the default symbol for flier points. Enter an empty string ('') if you don't want to show fliers. - *vert* = 1 (default) makes the boxes vertical. - *vert* = 0 makes horizontal boxes. This seems goofy, but that's how Matlab did it. *whis* (default 1.5) defines the length of the whiskers as a function of the inner quartile range. They extend to the most extreme data point within ( ``whis*(75%-25%)`` ) data range. *positions* (default 1,2,...,n) sets the horizontal positions of the boxes. The ticks and limits are automatically set to match the positions. *widths* is either a scalar or a vector and sets the width of each box. The default is 0.5, or ``0.15*(distance between extreme positions)`` if that is smaller. *x* is an array or a sequence of vectors. Returns a dictionary mapping each component of the boxplot to a list of the :class:`matplotlib.lines.Line2D` instances created. **Example:** .. plot:: pyplots/boxplot_demo.py """ if not self._hold: self.cla() holdStatus = self._hold whiskers, caps, boxes, medians, fliers = [], [], [], [], [] # convert x to a list of vectors if hasattr(x, 'shape'): if len(x.shape) == 1: if hasattr(x[0], 'shape'): x = list(x) else: x = [x,] elif len(x.shape) == 2: nr, nc = x.shape if nr == 1: x = [x] elif nc == 1: x = [x.ravel()] else: x = [x[:,i] for i in xrange(nc)] else: raise ValueError, "input x can have no more than 2 dimensions" if not hasattr(x[0], '__len__'): x = [x] col = len(x) # get some plot info if positions is None: positions = range(1, col + 1) if widths is None: distance = max(positions) - min(positions) widths = min(0.15*max(distance,1.0), 0.5) if isinstance(widths, float) or isinstance(widths, int): widths = np.ones((col,), float) * widths # loop through columns, adding each to plot self.hold(True) for i,pos in enumerate(positions): d = np.ravel(x[i]) row = len(d) # get median and quartiles q1, med, q3 = mlab.prctile(d,[25,50,75]) # get high extreme iq = q3 - q1 hi_val = q3 + whis*iq wisk_hi = np.compress( d <= hi_val , d ) if len(wisk_hi) == 0: wisk_hi = q3 else: wisk_hi = max(wisk_hi) # get low extreme lo_val = q1 - whis*iq wisk_lo = np.compress( d >= lo_val, d ) if len(wisk_lo) == 0: wisk_lo = q1 else: wisk_lo = min(wisk_lo) # get fliers - if we are showing them flier_hi = [] flier_lo = [] flier_hi_x = [] flier_lo_x = [] if len(sym) != 0: flier_hi = np.compress( d > wisk_hi, d ) flier_lo = np.compress( d < wisk_lo, d ) flier_hi_x = np.ones(flier_hi.shape[0]) * pos flier_lo_x = np.ones(flier_lo.shape[0]) * pos # get x locations for fliers, whisker, whisker cap and box sides box_x_min = pos - widths[i] * 0.5 box_x_max = pos + widths[i] * 0.5 wisk_x = np.ones(2) * pos cap_x_min = pos - widths[i] * 0.25 cap_x_max = pos + widths[i] * 0.25 cap_x = [cap_x_min, cap_x_max] # get y location for median med_y = [med, med] # calculate 'regular' plot if notch == 0: # make our box vectors box_x = [box_x_min, box_x_max, box_x_max, box_x_min, box_x_min ] box_y = [q1, q1, q3, q3, q1 ] # make our median line vectors med_x = [box_x_min, box_x_max] # calculate 'notch' plot else: notch_max = med + 1.57*iq/np.sqrt(row) notch_min = med - 1.57*iq/np.sqrt(row) if notch_max > q3: notch_max = q3 if notch_min < q1: notch_min = q1 # make our notched box vectors box_x = [box_x_min, box_x_max, box_x_max, cap_x_max, box_x_max, box_x_max, box_x_min, box_x_min, cap_x_min, box_x_min, box_x_min ] box_y = [q1, q1, notch_min, med, notch_max, q3, q3, notch_max, med, notch_min, q1] # make our median line vectors med_x = [cap_x_min, cap_x_max] med_y = [med, med] # vertical or horizontal plot? if vert: def doplot(*args): return self.plot(*args) else: def doplot(*args): shuffled = [] for i in xrange(0, len(args), 3): shuffled.extend([args[i+1], args[i], args[i+2]]) return self.plot(*shuffled) whiskers.extend(doplot(wisk_x, [q1, wisk_lo], 'b--', wisk_x, [q3, wisk_hi], 'b--')) caps.extend(doplot(cap_x, [wisk_hi, wisk_hi], 'k-', cap_x, [wisk_lo, wisk_lo], 'k-')) boxes.extend(doplot(box_x, box_y, 'b-')) medians.extend(doplot(med_x, med_y, 'r-')) fliers.extend(doplot(flier_hi_x, flier_hi, sym, flier_lo_x, flier_lo, sym)) # fix our axes/ticks up a little if 1 == vert: setticks, setlim = self.set_xticks, self.set_xlim else: setticks, setlim = self.set_yticks, self.set_ylim newlimits = min(positions)-0.5, max(positions)+0.5 setlim(newlimits) setticks(positions) # reset hold status self.hold(holdStatus) return dict(whiskers=whiskers, caps=caps, boxes=boxes, medians=medians, fliers=fliers) def scatter(self, x, y, s=20, c='b', marker='o', cmap=None, norm=None, vmin=None, vmax=None, alpha=1.0, linewidths=None, faceted=True, verts=None, **kwargs): """ call signatures:: scatter(x, y, s=20, c='b', marker='o', cmap=None, norm=None, vmin=None, vmax=None, alpha=1.0, linewidths=None, verts=None, **kwargs) Make a scatter plot of *x* versus *y*, where *x*, *y* are 1-D sequences of the same length, *N*. Keyword arguments: *s*: size in points^2. It is a scalar or an array of the same length as *x* and *y*. *c*: a color. *c* can be a single color format string, or a sequence of color specifications of length *N*, or a sequence of *N* numbers to be mapped to colors using the *cmap* and *norm* specified via kwargs (see below). Note that *c* should not be a single numeric RGB or RGBA sequence because that is indistinguishable from an array of values to be colormapped. *c* can be a 2-D array in which the rows are RGB or RGBA, however. *marker*: can be one of: ===== ============== Value Description ===== ============== 's' square 'o' circle '^' triangle up '>' triangle right 'v' triangle down '<' triangle left 'd' diamond 'p' pentagram 'h' hexagon '8' octagon '+' plus 'x' cross ===== ============== The marker can also be a tuple (*numsides*, *style*, *angle*), which will create a custom, regular symbol. *numsides*: the number of sides *style*: the style of the regular symbol: ===== ============================================= Value Description ===== ============================================= 0 a regular polygon 1 a star-like symbol 2 an asterisk 3 a circle (*numsides* and *angle* is ignored) ===== ============================================= *angle*: the angle of rotation of the symbol Finally, *marker* can be (*verts*, 0): *verts* is a sequence of (*x*, *y*) vertices for a custom scatter symbol. Alternatively, use the kwarg combination *marker* = *None*, *verts* = *verts*. Any or all of *x*, *y*, *s*, and *c* may be masked arrays, in which case all masks will be combined and only unmasked points will be plotted. Other keyword arguments: the color mapping and normalization arguments will be used only if *c* is an array of floats. *cmap*: [ None | Colormap ] A :class:`matplotlib.colors.Colormap` instance. If *None*, defaults to rc ``image.cmap``. *cmap* is only used if *c* is an array of floats. *norm*: [ None | Normalize ] A :class:`matplotlib.colors.Normalize` instance is used to scale luminance data to 0, 1. If *None*, use the default :func:`normalize`. *norm* is only used if *c* is an array of floats. *vmin*/*vmax*: *vmin* and *vmax* are used in conjunction with norm to normalize luminance data. If either are None, the min and max of the color array *C* is used. Note if you pass a *norm* instance, your settings for *vmin* and *vmax* will be ignored. *alpha*: 0 <= scalar <= 1 The alpha value for the patches *linewidths*: [ None | scalar | sequence ] If *None*, defaults to (lines.linewidth,). Note that this is a tuple, and if you set the linewidths argument you must set it as a sequence of floats, as required by :class:`~matplotlib.collections.RegularPolyCollection`. Optional kwargs control the :class:`~matplotlib.collections.Collection` properties; in particular: *edgecolors*: 'none' to plot faces with no outlines *facecolors*: 'none' to plot unfilled outlines Here are the standard descriptions of all the :class:`~matplotlib.collections.Collection` kwargs: %(Collection)s A :class:`~matplotlib.collections.Collection` instance is returned. """ if not self._hold: self.cla() syms = { # a dict from symbol to (numsides, angle) 's' : (4,math.pi/4.0,0), # square 'o' : (20,3,0), # circle '^' : (3,0,0), # triangle up '>' : (3,math.pi/2.0,0), # triangle right 'v' : (3,math.pi,0), # triangle down '<' : (3,3*math.pi/2.0,0), # triangle left 'd' : (4,0,0), # diamond 'p' : (5,0,0), # pentagram 'h' : (6,0,0), # hexagon '8' : (8,0,0), # octagon '+' : (4,0,2), # plus 'x' : (4,math.pi/4.0,2) # cross } self._process_unit_info(xdata=x, ydata=y, kwargs=kwargs) x, y, s, c = cbook.delete_masked_points(x, y, s, c) if is_string_like(c) or cbook.is_sequence_of_strings(c): colors = mcolors.colorConverter.to_rgba_array(c, alpha) else: sh = np.shape(c) # The inherent ambiguity is resolved in favor of color # mapping, not interpretation as rgb or rgba: if len(sh) == 1 and sh[0] == len(x): colors = None # use cmap, norm after collection is created else: colors = mcolors.colorConverter.to_rgba_array(c, alpha) if not iterable(s): scales = (s,) else: scales = s if faceted: edgecolors = None else: edgecolors = 'none' warnings.warn( '''replace "faceted=False" with "edgecolors='none'"''', DeprecationWarning) #2008/04/18 sym = None symstyle = 0 # to be API compatible if marker is None and not (verts is None): marker = (verts, 0) verts = None if is_string_like(marker): # the standard way to define symbols using a string character sym = syms.get(marker) if sym is None and verts is None: raise ValueError('Unknown marker symbol to scatter') numsides, rotation, symstyle = syms[marker] elif iterable(marker): # accept marker to be: # (numsides, style, [angle]) # or # (verts[], style, [angle]) if len(marker)<2 or len(marker)>3: raise ValueError('Cannot create markersymbol from marker') if cbook.is_numlike(marker[0]): # (numsides, style, [angle]) if len(marker)==2: numsides, rotation = marker[0], 0. elif len(marker)==3: numsides, rotation = marker[0], marker[2] sym = True if marker[1] in (1,2): symstyle = marker[1] else: verts = np.asarray(marker[0]) if sym is not None: if symstyle==0: collection = mcoll.RegularPolyCollection( numsides, rotation, scales, facecolors = colors, edgecolors = edgecolors, linewidths = linewidths, offsets = zip(x,y), transOffset = self.transData, ) elif symstyle==1: collection = mcoll.StarPolygonCollection( numsides, rotation, scales, facecolors = colors, edgecolors = edgecolors, linewidths = linewidths, offsets = zip(x,y), transOffset = self.transData, ) elif symstyle==2: collection = mcoll.AsteriskPolygonCollection( numsides, rotation, scales, facecolors = colors, edgecolors = edgecolors, linewidths = linewidths, offsets = zip(x,y), transOffset = self.transData, ) elif symstyle==3: collection = mcoll.CircleCollection( scales, facecolors = colors, edgecolors = edgecolors, linewidths = linewidths, offsets = zip(x,y), transOffset = self.transData, ) else: rescale = np.sqrt(max(verts[:,0]**2+verts[:,1]**2)) verts /= rescale collection = mcoll.PolyCollection( (verts,), scales, facecolors = colors, edgecolors = edgecolors, linewidths = linewidths, offsets = zip(x,y), transOffset = self.transData, ) collection.set_transform(mtransforms.IdentityTransform()) collection.set_alpha(alpha) collection.update(kwargs) if colors is None: if norm is not None: assert(isinstance(norm, mcolors.Normalize)) if cmap is not None: assert(isinstance(cmap, mcolors.Colormap)) collection.set_array(np.asarray(c)) collection.set_cmap(cmap) collection.set_norm(norm) if vmin is not None or vmax is not None: collection.set_clim(vmin, vmax) else: collection.autoscale_None() temp_x = x temp_y = y minx = np.amin(temp_x) maxx = np.amax(temp_x) miny = np.amin(temp_y) maxy = np.amax(temp_y) w = maxx-minx h = maxy-miny # the pad is a little hack to deal with the fact that we don't # want to transform all the symbols whose scales are in points # to data coords to get the exact bounding box for efficiency # reasons. It can be done right if this is deemed important padx, pady = 0.05*w, 0.05*h corners = (minx-padx, miny-pady), (maxx+padx, maxy+pady) self.update_datalim( corners) self.autoscale_view() # add the collection last self.add_collection(collection) return collection scatter.__doc__ = cbook.dedent(scatter.__doc__) % martist.kwdocd def hexbin(self, x, y, C = None, gridsize = 100, bins = None, xscale = 'linear', yscale = 'linear', cmap=None, norm=None, vmin=None, vmax=None, alpha=1.0, linewidths=None, edgecolors='none', reduce_C_function = np.mean, **kwargs): """ call signature:: hexbin(x, y, C = None, gridsize = 100, bins = None, xscale = 'linear', yscale = 'linear', cmap=None, norm=None, vmin=None, vmax=None, alpha=1.0, linewidths=None, edgecolors='none' reduce_C_function = np.mean, **kwargs) Make a hexagonal binning plot of *x* versus *y*, where *x*, *y* are 1-D sequences of the same length, *N*. If *C* is None (the default), this is a histogram of the number of occurences of the observations at (x[i],y[i]). If *C* is specified, it specifies values at the coordinate (x[i],y[i]). These values are accumulated for each hexagonal bin and then reduced according to *reduce_C_function*, which defaults to numpy's mean function (np.mean). (If *C* is specified, it must also be a 1-D sequence of the same length as *x* and *y*.) *x*, *y* and/or *C* may be masked arrays, in which case only unmasked points will be plotted. Optional keyword arguments: *gridsize*: [ 100 | integer ] The number of hexagons in the *x*-direction, default is 100. The corresponding number of hexagons in the *y*-direction is chosen such that the hexagons are approximately regular. Alternatively, gridsize can be a tuple with two elements specifying the number of hexagons in the *x*-direction and the *y*-direction. *bins*: [ None | 'log' | integer | sequence ] If *None*, no binning is applied; the color of each hexagon directly corresponds to its count value. If 'log', use a logarithmic scale for the color map. Internally, :math:`log_{10}(i+1)` is used to determine the hexagon color. If an integer, divide the counts in the specified number of bins, and color the hexagons accordingly. If a sequence of values, the values of the lower bound of the bins to be used. *xscale*: [ 'linear' | 'log' ] Use a linear or log10 scale on the horizontal axis. *scale*: [ 'linear' | 'log' ] Use a linear or log10 scale on the vertical axis. Other keyword arguments controlling color mapping and normalization arguments: *cmap*: [ None | Colormap ] a :class:`matplotlib.cm.Colormap` instance. If *None*, defaults to rc ``image.cmap``. *norm*: [ None | Normalize ] :class:`matplotlib.colors.Normalize` instance is used to scale luminance data to 0,1. *vmin*/*vmax*: scalar *vmin* and *vmax* are used in conjunction with *norm* to normalize luminance data. If either are *None*, the min and max of the color array *C* is used. Note if you pass a norm instance, your settings for *vmin* and *vmax* will be ignored. *alpha*: scalar the alpha value for the patches *linewidths*: [ None | scalar ] If *None*, defaults to rc lines.linewidth. Note that this is a tuple, and if you set the linewidths argument you must set it as a sequence of floats, as required by :class:`~matplotlib.collections.RegularPolyCollection`. Other keyword arguments controlling the Collection properties: *edgecolors*: [ None | mpl color | color sequence ] If 'none', draws the edges in the same color as the fill color. This is the default, as it avoids unsightly unpainted pixels between the hexagons. If *None*, draws the outlines in the default color. If a matplotlib color arg or sequence of rgba tuples, draws the outlines in the specified color. Here are the standard descriptions of all the :class:`~matplotlib.collections.Collection` kwargs: %(Collection)s The return value is a :class:`~matplotlib.collections.PolyCollection` instance; use :meth:`~matplotlib.collection.PolyCollection.get_array` on this :class:`~matplotlib.collections.PolyCollection` to get the counts in each hexagon. **Example:** .. plot:: mpl_examples/pylab_examples/hexbin_demo.py """ if not self._hold: self.cla() self._process_unit_info(xdata=x, ydata=y, kwargs=kwargs) x, y, C = cbook.delete_masked_points(x, y, C) # Set the size of the hexagon grid if iterable(gridsize): nx, ny = gridsize else: nx = gridsize ny = int(nx/math.sqrt(3)) # Count the number of data in each hexagon x = np.array(x, float) y = np.array(y, float) if xscale=='log': x = np.log10(x) if yscale=='log': y = np.log10(y) xmin = np.amin(x) xmax = np.amax(x) ymin = np.amin(y) ymax = np.amax(y) # In the x-direction, the hexagons exactly cover the region from # xmin to xmax. Need some padding to avoid roundoff errors. padding = 1.e-9 * (xmax - xmin) xmin -= padding xmax += padding sx = (xmax-xmin) / nx sy = (ymax-ymin) / ny x = (x-xmin)/sx y = (y-ymin)/sy ix1 = np.round(x).astype(int) iy1 = np.round(y).astype(int) ix2 = np.floor(x).astype(int) iy2 = np.floor(y).astype(int) nx1 = nx + 1 ny1 = ny + 1 nx2 = nx ny2 = ny n = nx1*ny1+nx2*ny2 d1 = (x-ix1)**2 + 3.0 * (y-iy1)**2 d2 = (x-ix2-0.5)**2 + 3.0 * (y-iy2-0.5)**2 bdist = (d1<d2) if C is None: accum = np.zeros(n) # Create appropriate views into "accum" array. lattice1 = accum[:nx1*ny1] lattice2 = accum[nx1*ny1:] lattice1.shape = (nx1,ny1) lattice2.shape = (nx2,ny2) for i in xrange(len(x)): if bdist[i]: lattice1[ix1[i], iy1[i]]+=1 else: lattice2[ix2[i], iy2[i]]+=1 else: # create accumulation arrays lattice1 = np.empty((nx1,ny1),dtype=object) for i in xrange(nx1): for j in xrange(ny1): lattice1[i,j] = [] lattice2 = np.empty((nx2,ny2),dtype=object) for i in xrange(nx2): for j in xrange(ny2): lattice2[i,j] = [] for i in xrange(len(x)): if bdist[i]: lattice1[ix1[i], iy1[i]].append( C[i] ) else: lattice2[ix2[i], iy2[i]].append( C[i] ) for i in xrange(nx1): for j in xrange(ny1): vals = lattice1[i,j] if len(vals): lattice1[i,j] = reduce_C_function( vals ) else: lattice1[i,j] = np.nan for i in xrange(nx2): for j in xrange(ny2): vals = lattice2[i,j] if len(vals): lattice2[i,j] = reduce_C_function( vals ) else: lattice2[i,j] = np.nan accum = np.hstack(( lattice1.astype(float).ravel(), lattice2.astype(float).ravel())) good_idxs = ~np.isnan(accum) px = xmin + sx * np.array([ 0.5, 0.5, 0.0, -0.5, -0.5, 0.0]) py = ymin + sy * np.array([-0.5, 0.5, 1.0, 0.5, -0.5, -1.0]) / 3.0 polygons = np.zeros((6, n, 2), float) polygons[:,:nx1*ny1,0] = np.repeat(np.arange(nx1), ny1) polygons[:,:nx1*ny1,1] = np.tile(np.arange(ny1), nx1) polygons[:,nx1*ny1:,0] = np.repeat(np.arange(nx2) + 0.5, ny2) polygons[:,nx1*ny1:,1] = np.tile(np.arange(ny2), nx2) + 0.5 if C is not None: # remove accumulation bins with no data polygons = polygons[:,good_idxs,:] accum = accum[good_idxs] polygons = np.transpose(polygons, axes=[1,0,2]) polygons[:,:,0] *= sx polygons[:,:,1] *= sy polygons[:,:,0] += px polygons[:,:,1] += py if xscale=='log': polygons[:,:,0] = 10**(polygons[:,:,0]) xmin = 10**xmin xmax = 10**xmax self.set_xscale('log') if yscale=='log': polygons[:,:,1] = 10**(polygons[:,:,1]) ymin = 10**ymin ymax = 10**ymax self.set_yscale('log') if edgecolors=='none': edgecolors = 'face' collection = mcoll.PolyCollection( polygons, edgecolors = edgecolors, linewidths = linewidths, transOffset = self.transData, ) # Transform accum if needed if bins=='log': accum = np.log10(accum+1) elif binsis notNone: if not iterable(bins): minimum, maximum = min(accum), max(accum) bins-=1 # one less edge than bins bins = minimum + (maximum-minimum)*np.arange(bins)/bins bins = np.sort(bins) accum = bins.searchsorted(accum) if norm is not None: assert(isinstance(norm, mcolors.Normalize)) if cmap is not None: assert(isinstance(cmap, mcolors.Colormap)) collection.set_array(accum) collection.set_cmap(cmap) collection.set_norm(norm) collection.set_alpha(alpha) collection.update(kwargs) if vmin is not None or vmax is not None: collection.set_clim(vmin, vmax) else: collection.autoscale_None() corners = ((xmin, ymin), (xmax, ymax)) self.update_datalim( corners) self.autoscale_view() # add the collection last self.add_collection(collection) return collection hexbin.__doc__ = cbook.dedent(hexbin.__doc__) % martist.kwdocd def arrow(self, x, y, dx, dy, **kwargs): """ call signature:: arrow(x, y, dx, dy, **kwargs) Draws arrow on specified axis from (*x*, *y*) to (*x* + *dx*, *y* + *dy*). Optional kwargs control the arrow properties: %(FancyArrow)s **Example:** .. plot:: mpl_examples/pylab_examples/arrow_demo.py """ a = mpatches.FancyArrow(x, y, dx, dy, **kwargs) self.add_artist(a) return a arrow.__doc__ = cbook.dedent(arrow.__doc__) % martist.kwdocd def quiverkey(self, *args, **kw): qk = mquiver.QuiverKey(*args, **kw) self.add_artist(qk) return qk quiverkey.__doc__ = mquiver.QuiverKey.quiverkey_doc def quiver(self, *args, **kw): if not self._hold: self.cla() q = mquiver.Quiver(self, *args, **kw) self.add_collection(q, False) self.update_datalim(q.XY) self.autoscale_view() return q quiver.__doc__ = mquiver.Quiver.quiver_doc def barbs(self, *args, **kw): """ %(barbs_doc)s **Example:** .. plot:: mpl_examples/pylab_examples/barb_demo.py """ if not self._hold: self.cla() b = mquiver.Barbs(self, *args, **kw) self.add_collection(b) self.update_datalim(b.get_offsets()) self.autoscale_view() return b barbs.__doc__ = cbook.dedent(barbs.__doc__) % { 'barbs_doc': mquiver.Barbs.barbs_doc} def fill(self, *args, **kwargs): """ call signature:: fill(*args, **kwargs) Plot filled polygons. *args* is a variable length argument, allowing for multiple *x*, *y* pairs with an optional color format string; see :func:`~matplotlib.pyplot.plot` for details on the argument parsing. For example, to plot a polygon with vertices at *x*, *y* in blue.:: ax.fill(x,y, 'b' ) An arbitrary number of *x*, *y*, *color* groups can be specified:: ax.fill(x1, y1, 'g', x2, y2, 'r') Return value is a list of :class:`~matplotlib.patches.Patch` instances that were added. The same color strings that :func:`~matplotlib.pyplot.plot` supports are supported by the fill format string. If you would like to fill below a curve, eg. shade a region between 0 and *y* along *x*, use :meth:`fill_between` The *closed* kwarg will close the polygon when *True* (default). kwargs control the Polygon properties: %(Polygon)s **Example:** .. plot:: mpl_examples/pylab_examples/fill_demo.py """ if not self._hold: self.cla() patches = [] for poly in self._get_patches_for_fill(*args, **kwargs): self.add_patch( poly ) patches.append( poly ) self.autoscale_view() return patches fill.__doc__ = cbook.dedent(fill.__doc__) % martist.kwdocd def fill_between(self, x, y1, y2=0, where=None, **kwargs): """ call signature:: fill_between(x, y1, y2=0, where=None, **kwargs) Create a :class:`~matplotlib.collections.PolyCollection` filling the regions between *y1* and *y2* where ``where==True`` *x* an N length np array of the x data *y1* an N length scalar or np array of the x data *y2* an N length scalar or np array of the x data *where* if None, default to fill between everywhere. If not None, it is a a N length numpy boolean array and the fill will only happen over the regions where ``where==True`` *kwargs* keyword args passed on to the :class:`PolyCollection` kwargs control the Polygon properties: %(PolyCollection)s .. plot:: mpl_examples/pylab_examples/fill_between.py """ # Handle united data, such as dates self._process_unit_info(xdata=x, ydata=y1, kwargs=kwargs) self._process_unit_info(ydata=y2) # Convert the arrays so we can work with them x = np.asarray(self.convert_xunits(x)) y1 = np.asarray(self.convert_yunits(y1)) y2 = np.asarray(self.convert_yunits(y2)) if not cbook.iterable(y1): y1 = np.ones_like(x)*y1 if not cbook.iterable(y2): y2 = np.ones_like(x)*y2 if where is None: where = np.ones(len(x), np.bool) where = np.asarray(where) assert( (len(x)==len(y1)) and (len(x)==len(y2)) and len(x)==len(where)) polys = [] for ind0, ind1 in mlab.contiguous_regions(where): theseverts = [] xslice = x[ind0:ind1] y1slice = y1[ind0:ind1] y2slice = y2[ind0:ind1] if not len(xslice): continue N = len(xslice) X = np.zeros((2*N+2, 2), np.float) # the purpose of the next two lines is for when y2 is a # scalar like 0 and we want the fill to go all the way # down to 0 even if none of the y1 sample points do X[0] = xslice[0], y2slice[0] X[N+1] = xslice[-1], y2slice[-1] X[1:N+1,0] = xslice X[1:N+1,1] = y1slice X[N+2:,0] = xslice[::-1] X[N+2:,1] = y2slice[::-1] polys.append(X) collection = mcoll.PolyCollection(polys, **kwargs) # now update the datalim and autoscale XY1 = np.array([x[where], y1[where]]).T XY2 = np.array([x[where], y2[where]]).T self.dataLim.update_from_data_xy(XY1, self.ignore_existing_data_limits, updatex=True, updatey=True) self.dataLim.update_from_data_xy(XY2, self.ignore_existing_data_limits, updatex=False, updatey=True) self.add_collection(collection) self.autoscale_view() return collection fill_between.__doc__ = cbook.dedent(fill_between.__doc__) % martist.kwdocd #### plotting z(x,y): imshow, pcolor and relatives, contour def imshow(self, X, cmap=None, norm=None, aspect=None, interpolation=None, alpha=1.0, vmin=None, vmax=None, origin=None, extent=None, shape=None, filternorm=1, filterrad=4.0, imlim=None, resample=None, url=None, **kwargs): """ call signature:: imshow(X, cmap=None, norm=None, aspect=None, interpolation=None, alpha=1.0, vmin=None, vmax=None, origin=None, extent=None, **kwargs) Display the image in *X* to current axes. *X* may be a float array, a uint8 array or a PIL image. If *X* is an array, *X* can have the following shapes: * MxN -- luminance (grayscale, float array only) * MxNx3 -- RGB (float or uint8 array) * MxNx4 -- RGBA (float or uint8 array) The value for each component of MxNx3 and MxNx4 float arrays should be in the range 0.0 to 1.0; MxN float arrays may be normalised. An :class:`matplotlib.image.AxesImage` instance is returned. Keyword arguments: *cmap*: [ None | Colormap ] A :class:`matplotlib.cm.Colormap` instance, eg. cm.jet. If *None*, default to rc ``image.cmap`` value. *cmap* is ignored when *X* has RGB(A) information *aspect*: [ None | 'auto' | 'equal' | scalar ] If 'auto', changes the image aspect ratio to match that of the axes If 'equal', and *extent* is *None*, changes the axes aspect ratio to match that of the image. If *extent* is not *None*, the axes aspect ratio is changed to match that of the extent. If *None*, default to rc ``image.aspect`` value. *interpolation*: Acceptable values are *None*, 'nearest', 'bilinear', 'bicubic', 'spline16', 'spline36', 'hanning', 'hamming', 'hermite', 'kaiser', 'quadric', 'catrom', 'gaussian', 'bessel', 'mitchell', 'sinc', 'lanczos', If *interpolation* is *None*, default to rc ``image.interpolation``. See also the *filternorm* and *filterrad* parameters *norm*: [ None | Normalize ] An :class:`matplotlib.colors.Normalize` instance; if *None*, default is ``normalization()``. This scales luminance -> 0-1 *norm* is only used for an MxN float array. *vmin*/*vmax*: [ None | scalar ] Used to scale a luminance image to 0-1. If either is *None*, the min and max of the luminance values will be used. Note if *norm* is not *None*, the settings for *vmin* and *vmax* will be ignored. *alpha*: scalar The alpha blending value, between 0 (transparent) and 1 (opaque) *origin*: [ None | 'upper' | 'lower' ] Place the [0,0] index of the array in the upper left or lower left corner of the axes. If *None*, default to rc ``image.origin``. *extent*: [ None | scalars (left, right, bottom, top) ] Eata values of the axes. The default assigns zero-based row, column indices to the *x*, *y* centers of the pixels. *shape*: [ None | scalars (columns, rows) ] For raw buffer images *filternorm*: A parameter for the antigrain image resize filter. From the antigrain documentation, if *filternorm* = 1, the filter normalizes integer values and corrects the rounding errors. It doesn't do anything with the source floating point values, it corrects only integers according to the rule of 1.0 which means that any sum of pixel weights must be equal to 1.0. So, the filter function must produce a graph of the proper shape. *filterrad*: The filter radius for filters that have a radius parameter, i.e. when interpolation is one of: 'sinc', 'lanczos' or 'blackman' Additional kwargs are :class:`~matplotlib.artist.Artist` properties: %(Artist)s **Example:** .. plot:: mpl_examples/pylab_examples/image_demo.py """ if not self._hold: self.cla() if norm is not None: assert(isinstance(norm, mcolors.Normalize)) if cmap is not None: assert(isinstance(cmap, mcolors.Colormap)) if aspect is None: aspect = rcParams['image.aspect'] self.set_aspect(aspect) im = mimage.AxesImage(self, cmap, norm, interpolation, origin, extent, filternorm=filternorm, filterrad=filterrad, resample=resample, **kwargs) im.set_data(X) im.set_alpha(alpha) self._set_artist_props(im) im.set_clip_path(self.patch) #if norm is None and shape is None: # im.set_clim(vmin, vmax) if vmin is not None or vmax is not None: im.set_clim(vmin, vmax) else: im.autoscale_None() im.set_url(url) xmin, xmax, ymin, ymax = im.get_extent() corners = (xmin, ymin), (xmax, ymax) self.update_datalim(corners) if self._autoscaleon: self.set_xlim((xmin, xmax)) self.set_ylim((ymin, ymax)) self.images.append(im) return im imshow.__doc__ = cbook.dedent(imshow.__doc__) % martist.kwdocd def _pcolorargs(self, funcname, *args): if len(args)==1: C = args[0] numRows, numCols = C.shape X, Y = np.meshgrid(np.arange(numCols+1), np.arange(numRows+1) ) elif len(args)==3: X, Y, C = args else: raise TypeError( 'Illegal arguments to {0!s}; see help({1!s})'.format(funcname, funcname)) Nx = X.shape[-1] Ny = Y.shape[0] if len(X.shape) <> 2 or X.shape[0] == 1: x = X.reshape(1,Nx) X = x.repeat(Ny, axis=0) if len(Y.shape) <> 2 or Y.shape[1] == 1: y = Y.reshape(Ny, 1) Y = y.repeat(Nx, axis=1) if X.shape != Y.shape: raise TypeError( 'Incompatible X, Y inputs to {0!s}; see help({1!s})'.format( funcname, funcname)) return X, Y, C def pcolor(self, *args, **kwargs): """ call signatures:: pcolor(C, **kwargs) pcolor(X, Y, C, **kwargs) Create a pseudocolor plot of a 2-D array. *C* is the array of color values. *X* and *Y*, if given, specify the (*x*, *y*) coordinates of the colored quadrilaterals; the quadrilateral for C[i,j] has corners at:: (X[i, j], Y[i, j]), (X[i, j+1], Y[i, j+1]), (X[i+1, j], Y[i+1, j]), (X[i+1, j+1], Y[i+1, j+1]). Ideally the dimensions of *X* and *Y* should be one greater than those of *C*; if the dimensions are the same, then the last row and column of *C* will be ignored. Note that the the column index corresponds to the *x*-coordinate, and the row index corresponds to *y*; for details, see the :ref:`Grid Orientation <axes-pcolor-grid-orientation>` section below. If either or both of *X* and *Y* are 1-D arrays or column vectors, they will be expanded as needed into the appropriate 2-D arrays, making a rectangular grid. *X*, *Y* and *C* may be masked arrays. If either C[i, j], or one of the vertices surrounding C[i,j] (*X* or *Y* at [i, j], [i+1, j], [i, j+1],[i+1, j+1]) is masked, nothing is plotted. Keyword arguments: *cmap*: [ None | Colormap ] A :class:`matplotlib.cm.Colormap` instance. If *None*, use rc settings. norm: [ None | Normalize ] An :class:`matplotlib.colors.Normalize` instance is used to scale luminance data to 0,1. If *None*, defaults to :func:`normalize`. *vmin*/*vmax*: [ None | scalar ] *vmin* and *vmax* are used in conjunction with *norm* to normalize luminance data. If either are *None*, the min and max of the color array *C* is used. If you pass a *norm* instance, *vmin* and *vmax* will be ignored. *shading*: [ 'flat' | 'faceted' ] If 'faceted', a black grid is drawn around each rectangle; if 'flat', edges are not drawn. Default is 'flat', contrary to Matlab(TM). This kwarg is deprecated; please use 'edgecolors' instead: * shading='flat' -- edgecolors='None' * shading='faceted -- edgecolors='k' *edgecolors*: [ None | 'None' | color | color sequence] If *None*, the rc setting is used by default. If 'None', edges will not be visible. An mpl color or sequence of colors will set the edge color *alpha*: 0 <= scalar <= 1 the alpha blending value Return value is a :class:`matplotlib.collection.Collection` instance. .. _axes-pcolor-grid-orientation: The grid orientation follows the Matlab(TM) convention: an array *C* with shape (*nrows*, *ncolumns*) is plotted with the column number as *X* and the row number as *Y*, increasing up; hence it is plotted the way the array would be printed, except that the *Y* axis is reversed. That is, *C* is taken as *C*(*y*, *x*). Similarly for :func:`~matplotlib.pyplot.meshgrid`:: x = np.arange(5) y = np.arange(3) X, Y = meshgrid(x,y) is equivalent to: X = array([[0, 1, 2, 3, 4], [0, 1, 2, 3, 4], [0, 1, 2, 3, 4]]) Y = array([[0, 0, 0, 0, 0], [1, 1, 1, 1, 1], [2, 2, 2, 2, 2]]) so if you have:: C = rand( len(x), len(y)) then you need:: pcolor(X, Y, C.T) or:: pcolor(C.T) Matlab :func:`pcolor` always discards the last row and column of *C*, but matplotlib displays the last row and column if *X* and *Y* are not specified, or if *X* and *Y* have one more row and column than *C*. kwargs can be used to control the :class:`~matplotlib.collection.PolyCollection` properties: %(PolyCollection)s """ if not self._hold: self.cla() alpha = kwargs.pop('alpha', 1.0) norm = kwargs.pop('norm', None) cmap = kwargs.pop('cmap', None) vmin = kwargs.pop('vmin', None) vmax = kwargs.pop('vmax', None) shading = kwargs.pop('shading', 'flat') X, Y, C = self._pcolorargs('pcolor', *args) Ny, Nx = X.shape # convert to MA, if necessary. C = ma.asarray(C) X = ma.asarray(X) Y = ma.asarray(Y) mask = ma.getmaskarray(X)+ma.getmaskarray(Y) xymask = mask[0:-1,0:-1]+mask[1:,1:]+mask[0:-1,1:]+mask[1:,0:-1] # don't plot if C or any of the surrounding vertices are masked. mask = ma.getmaskarray(C)[0:Ny-1,0:Nx-1]+xymask newaxis = np.newaxis compress = np.compress ravelmask = (mask==0).ravel() X1 = compress(ravelmask, ma.filled(X[0:-1,0:-1]).ravel()) Y1 = compress(ravelmask, ma.filled(Y[0:-1,0:-1]).ravel()) X2 = compress(ravelmask, ma.filled(X[1:,0:-1]).ravel()) Y2 = compress(ravelmask, ma.filled(Y[1:,0:-1]).ravel()) X3 = compress(ravelmask, ma.filled(X[1:,1:]).ravel()) Y3 = compress(ravelmask, ma.filled(Y[1:,1:]).ravel()) X4 = compress(ravelmask, ma.filled(X[0:-1,1:]).ravel()) Y4 = compress(ravelmask, ma.filled(Y[0:-1,1:]).ravel()) npoly = len(X1) xy = np.concatenate((X1[:,newaxis], Y1[:,newaxis], X2[:,newaxis], Y2[:,newaxis], X3[:,newaxis], Y3[:,newaxis], X4[:,newaxis], Y4[:,newaxis], X1[:,newaxis], Y1[:,newaxis]), axis=1) verts = xy.reshape((npoly, 5, 2)) #verts = zip(zip(X1,Y1),zip(X2,Y2),zip(X3,Y3),zip(X4,Y4)) C = compress(ravelmask, ma.filled(C[0:Ny-1,0:Nx-1]).ravel()) if shading == 'faceted': edgecolors = (0,0,0,1), linewidths = (0.25,) else: edgecolors = 'face' linewidths = (1.0,) kwargs.setdefault('edgecolors', edgecolors) kwargs.setdefault('antialiaseds', (0,)) kwargs.setdefault('linewidths', linewidths) collection = mcoll.PolyCollection(verts, **kwargs) collection.set_alpha(alpha) collection.set_array(C) if norm is not None: assert(isinstance(norm, mcolors.Normalize)) if cmap is not None: assert(isinstance(cmap, mcolors.Colormap)) collection.set_cmap(cmap) collection.set_norm(norm) if vmin is not None or vmax is not None: collection.set_clim(vmin, vmax) else: collection.autoscale_None() self.grid(False) x = X.compressed() y = Y.compressed() minx = np.amin(x) maxx = np.amax(x) miny = np.amin(y) maxy = np.amax(y) corners = (minx, miny), (maxx, maxy) self.update_datalim( corners) self.autoscale_view() self.add_collection(collection) return collection pcolor.__doc__ = cbook.dedent(pcolor.__doc__) % martist.kwdocd def pcolormesh(self, *args, **kwargs): """ call signatures:: pcolormesh(C) pcolormesh(X, Y, C) pcolormesh(C, **kwargs) *C* may be a masked array, but *X* and *Y* may not. Masked array support is implemented via *cmap* and *norm*; in contrast, :func:`~matplotlib.pyplot.pcolor` simply does not draw quadrilaterals with masked colors or vertices. Keyword arguments: *cmap*: [ None | Colormap ] A :class:`matplotlib.cm.Colormap` instance. If None, use rc settings. *norm*: [ None | Normalize ] A :class:`matplotlib.colors.Normalize` instance is used to scale luminance data to 0,1. If None, defaults to :func:`normalize`. *vmin*/*vmax*: [ None | scalar ] *vmin* and *vmax* are used in conjunction with *norm* to normalize luminance data. If either are *None*, the min and max of the color array *C* is used. If you pass a *norm* instance, *vmin* and *vmax* will be ignored. *shading*: [ 'flat' | 'faceted' ] If 'faceted', a black grid is drawn around each rectangle; if 'flat', edges are not drawn. Default is 'flat', contrary to Matlab(TM). This kwarg is deprecated; please use 'edgecolors' instead: * shading='flat' -- edgecolors='None' * shading='faceted -- edgecolors='k' *edgecolors*: [ None | 'None' | color | color sequence] If None, the rc setting is used by default. If 'None', edges will not be visible. An mpl color or sequence of colors will set the edge color *alpha*: 0 <= scalar <= 1 the alpha blending value Return value is a :class:`matplotlib.collection.QuadMesh` object. kwargs can be used to control the :class:`matplotlib.collections.QuadMesh` properties: %(QuadMesh)s .. seealso:: :func:`~matplotlib.pyplot.pcolor`: For an explanation of the grid orientation and the expansion of 1-D *X* and/or *Y* to 2-D arrays. """ if not self._hold: self.cla() alpha = kwargs.pop('alpha', 1.0) norm = kwargs.pop('norm', None) cmap = kwargs.pop('cmap', None) vmin = kwargs.pop('vmin', None) vmax = kwargs.pop('vmax', None) shading = kwargs.pop('shading', 'flat') edgecolors = kwargs.pop('edgecolors', 'None') antialiased = kwargs.pop('antialiased', False) X, Y, C = self._pcolorargs('pcolormesh', *args) Ny, Nx = X.shape # convert to one dimensional arrays C = ma.ravel(C[0:Ny-1, 0:Nx-1]) # data point in each cell is value at # lower left corner X = X.ravel() Y = Y.ravel() coords = np.zeros(((Nx * Ny), 2), dtype=float) coords[:, 0] = X coords[:, 1] = Y if shading == 'faceted' or edgecolors != 'None': showedges = 1 else: showedges = 0 collection = mcoll.QuadMesh( Nx - 1, Ny - 1, coords, showedges, antialiased=antialiased) # kwargs are not used collection.set_alpha(alpha) collection.set_array(C) if norm is not None: assert(isinstance(norm, mcolors.Normalize)) if cmap is not None: assert(isinstance(cmap, mcolors.Colormap)) collection.set_cmap(cmap) collection.set_norm(norm) if vmin is not None or vmax is not None: collection.set_clim(vmin, vmax) else: collection.autoscale_None() self.grid(False) minx = np.amin(X) maxx = np.amax(X) miny = np.amin(Y) maxy = np.amax(Y) corners = (minx, miny), (maxx, maxy) self.update_datalim( corners) self.autoscale_view() self.add_collection(collection) return collection pcolormesh.__doc__ = cbook.dedent(pcolormesh.__doc__) % martist.kwdocd def pcolorfast(self, *args, **kwargs): """ pseudocolor plot of a 2-D array Experimental; this is a version of pcolor that does not draw lines, that provides the fastest possible rendering with the Agg backend, and that can handle any quadrilateral grid. Call signatures:: pcolor(C, **kwargs) pcolor(xr, yr, C, **kwargs) pcolor(x, y, C, **kwargs) pcolor(X, Y, C, **kwargs) C is the 2D array of color values corresponding to quadrilateral cells. Let (nr, nc) be its shape. C may be a masked array. ``pcolor(C, **kwargs)`` is equivalent to ``pcolor([0,nc], [0,nr], C, **kwargs)`` *xr*, *yr* specify the ranges of *x* and *y* corresponding to the rectangular region bounding *C*. If:: xr = [x0, x1] and:: yr = [y0,y1] then *x* goes from *x0* to *x1* as the second index of *C* goes from 0 to *nc*, etc. (*x0*, *y0*) is the outermost corner of cell (0,0), and (*x1*, *y1*) is the outermost corner of cell (*nr*-1, *nc*-1). All cells are rectangles of the same size. This is the fastest version. *x*, *y* are 1D arrays of length *nc* +1 and *nr* +1, respectively, giving the x and y boundaries of the cells. Hence the cells are rectangular but the grid may be nonuniform. The speed is intermediate. (The grid is checked, and if found to be uniform the fast version is used.) *X* and *Y* are 2D arrays with shape (*nr* +1, *nc* +1) that specify the (x,y) coordinates of the corners of the colored quadrilaterals; the quadrilateral for C[i,j] has corners at (X[i,j],Y[i,j]), (X[i,j+1],Y[i,j+1]), (X[i+1,j],Y[i+1,j]), (X[i+1,j+1],Y[i+1,j+1]). The cells need not be rectangular. This is the most general, but the slowest to render. It may produce faster and more compact output using ps, pdf, and svg backends, however. Note that the the column index corresponds to the x-coordinate, and the row index corresponds to y; for details, see the "Grid Orientation" section below. Optional keyword arguments: *cmap*: [ None | Colormap ] A cm Colormap instance from cm. If None, use rc settings. *norm*: [ None | Normalize ] An mcolors.Normalize instance is used to scale luminance data to 0,1. If None, defaults to normalize() *vmin*/*vmax*: [ None | scalar ] *vmin* and *vmax* are used in conjunction with norm to normalize luminance data. If either are *None*, the min and max of the color array *C* is used. If you pass a norm instance, *vmin* and *vmax* will be *None*. *alpha*: 0 <= scalar <= 1 the alpha blending value Return value is an image if a regular or rectangular grid is specified, and a QuadMesh collection in the general quadrilateral case. """ if not self._hold: self.cla() alpha = kwargs.pop('alpha', 1.0) norm = kwargs.pop('norm', None) cmap = kwargs.pop('cmap', None) vmin = kwargs.pop('vmin', None) vmax = kwargs.pop('vmax', None) if norm is not None: assert(isinstance(norm, mcolors.Normalize)) if cmap is not None: assert(isinstance(cmap, mcolors.Colormap)) C = args[-1] nr, nc = C.shape if len(args) == 1: style = "image" x = [0, nc] y = [0, nr] elif len(args) == 3: x, y = args[:2] x = np.asarray(x) y = np.asarray(y) if x.ndim == 1 and y.ndim == 1: if x.size == 2 and y.size == 2: style = "image" else: dx = np.diff(x) dy = np.diff(y) if (np.ptp(dx) < 0.01*np.abs(dx.mean()) and np.ptp(dy) < 0.01*np.abs(dy.mean())): style = "image" else: style = "pcolorimage" elif x.ndim == 2 and y.ndim == 2: style = "quadmesh" else: raise TypeError("arguments do not match valid signatures") else: raise TypeError("need 1 argument or 3 arguments") if style == "quadmesh": # convert to one dimensional arrays # This should also be moved to the QuadMesh class C = ma.ravel(C) # data point in each cell is value # at lower left corner X = x.ravel() Y = y.ravel() Nx = nc+1 Ny = nr+1 # The following needs to be cleaned up; the renderer # requires separate contiguous arrays for X and Y, # but the QuadMesh class requires the 2D array. coords = np.empty(((Nx * Ny), 2), np.float64) coords[:, 0] = X coords[:, 1] = Y # The QuadMesh class can also be changed to # handle relevant superclass kwargs; the initializer # should do much more than it does now. collection = mcoll.QuadMesh(nc, nr, coords, 0) collection.set_alpha(alpha) collection.set_array(C) collection.set_cmap(cmap) collection.set_norm(norm) self.add_collection(collection) xl, xr, yb, yt = X.min(), X.max(), Y.min(), Y.max() ret = collection else: # One of the image styles: xl, xr, yb, yt = x[0], x[-1], y[0], y[-1] if style == "image": im = mimage.AxesImage(self, cmap, norm, interpolation='nearest', origin='lower', extent=(xl, xr, yb, yt), **kwargs) im.set_data(C) im.set_alpha(alpha) self.images.append(im) ret = im if style == "pcolorimage": im = mimage.PcolorImage(self, x, y, C, cmap=cmap, norm=norm, alpha=alpha, **kwargs) self.images.append(im) ret = im self._set_artist_props(ret) if vmin is not None or vmax is not None: ret.set_clim(vmin, vmax) else: ret.autoscale_None() self.update_datalim(np.array([[xl, yb], [xr, yt]])) self.autoscale_view(tight=True) return ret def contour(self, *args, **kwargs): if not self._hold: self.cla() kwargs['filled'] = False return mcontour.ContourSet(self, *args, **kwargs) contour.__doc__ = mcontour.ContourSet.contour_doc def contourf(self, *args, **kwargs): if not self._hold: self.cla() kwargs['filled'] = True return mcontour.ContourSet(self, *args, **kwargs) contourf.__doc__ = mcontour.ContourSet.contour_doc def clabel(self, CS, *args, **kwargs): return CS.clabel(*args, **kwargs) clabel.__doc__ = mcontour.ContourSet.clabel.__doc__ def table(self, **kwargs): """ call signature:: table(cellText=None, cellColours=None, cellLoc='right', colWidths=None, rowLabels=None, rowColours=None, rowLoc='left', colLabels=None, colColours=None, colLoc='center', loc='bottom', bbox=None): Add a table to the current axes. Returns a :class:`matplotlib.table.Table` instance. For finer grained control over tables, use the :class:`~matplotlib.table.Table` class and add it to the axes with :meth:`~matplotlib.axes.Axes.add_table`. Thanks to John Gill for providing the class and table. kwargs control the :class:`~matplotlib.table.Table` properties: %(Table)s """ return mtable.table(self, **kwargs) table.__doc__ = cbook.dedent(table.__doc__) % martist.kwdocd def twinx(self): """ call signature:: ax = twinx() create a twin of Axes for generating a plot with a sharex x-axis but independent y axis. The y-axis of self will have ticks on left and the returned axes will have ticks on the right """ ax2 = self.figure.add_axes(self.get_position(True), sharex=self, frameon=False) ax2.yaxis.tick_right() ax2.yaxis.set_label_position('right') self.yaxis.tick_left() return ax2 def twiny(self): """ call signature:: ax = twiny() create a twin of Axes for generating a plot with a shared y-axis but independent x axis. The x-axis of self will have ticks on bottom and the returned axes will have ticks on the top """ ax2 = self.figure.add_axes(self.get_position(True), sharey=self, frameon=False) ax2.xaxis.tick_top() ax2.xaxis.set_label_position('top') self.xaxis.tick_bottom() return ax2 def get_shared_x_axes(self): 'Return a copy of the shared axes Grouper object for x axes' return self._shared_x_axes def get_shared_y_axes(self): 'Return a copy of the shared axes Grouper object for y axes' return self._shared_y_axes #### Data analysis def hist(self, x, bins=10, range=None, normed=False, cumulative=False, bottom=None, histtype='bar', align='mid', orientation='vertical', rwidth=None, log=False, **kwargs): """ call signature:: hist(x, bins=10, range=None, normed=False, cumulative=False, bottom=None, histtype='bar', align='mid', orientation='vertical', rwidth=None, log=False, **kwargs) Compute and draw the histogram of *x*. The return value is a tuple (*n*, *bins*, *patches*) or ([*n0*, *n1*, ...], *bins*, [*patches0*, *patches1*,...]) if the input contains multiple data. Keyword arguments: *bins*: Either an integer number of bins or a sequence giving the bins. *x* are the data to be binned. *x* can be an array, a 2D array with multiple data in its columns, or a list of arrays with data of different length. Note, if *bins* is an integer input argument=numbins, *bins* + 1 bin edges will be returned, compatible with the semantics of :func:`numpy.histogram` with the *new* = True argument. Unequally spaced bins are supported if *bins* is a sequence. *range*: The lower and upper range of the bins. Lower and upper outliers are ignored. If not provided, *range* is (x.min(), x.max()). Range has no effect if *bins* is a sequence. If *bins* is a sequence or *range* is specified, autoscaling is set off (*autoscale_on* is set to *False*) and the xaxis limits are set to encompass the full specified bin range. *normed*: If *True*, the first element of the return tuple will be the counts normalized to form a probability density, i.e., ``n/(len(x)*dbin)``. In a probability density, the integral of the histogram should be 1; you can verify that with a trapezoidal integration of the probability density function:: pdf, bins, patches = ax.hist(...) print np.sum(pdf * np.diff(bins)) *cumulative*: If *True*, then a histogram is computed where each bin gives the counts in that bin plus all bins for smaller values. The last bin gives the total number of datapoints. If *normed* is also *True* then the histogram is normalized such that the last bin equals 1. If *cumulative* evaluates to less than 0 (e.g. -1), the direction of accumulation is reversed. In this case, if *normed* is also *True*, then the histogram is normalized such that the first bin equals 1. *histtype*: [ 'bar' | 'barstacked' | 'step' | 'stepfilled' ] The type of histogram to draw. - 'bar' is a traditional bar-type histogram. If multiple data are given the bars are aranged side by side. - 'barstacked' is a bar-type histogram where multiple data are stacked on top of each other. - 'step' generates a lineplot that is by default unfilled. - 'stepfilled' generates a lineplot that is by default filled. *align*: ['left' | 'mid' | 'right' ] Controls how the histogram is plotted. - 'left': bars are centered on the left bin edges. - 'mid': bars are centered between the bin edges. - 'right': bars are centered on the right bin edges. *orientation*: [ 'horizontal' | 'vertical' ] If 'horizontal', :func:`~matplotlib.pyplot.barh` will be used for bar-type histograms and the *bottom* kwarg will be the left edges. *rwidth*: The relative width of the bars as a fraction of the bin width. If *None*, automatically compute the width. Ignored if *histtype* = 'step' or 'stepfilled'. *log*: If *True*, the histogram axis will be set to a log scale. If *log* is *True* and *x* is a 1D array, empty bins will be filtered out and only the non-empty (*n*, *bins*, *patches*) will be returned. kwargs are used to update the properties of the hist :class:`~matplotlib.patches.Rectangle` instances: %(Rectangle)s You can use labels for your histogram, and only the first :class:`~matplotlib.patches.Rectangle` gets the label (the others get the magic string '_nolegend_'. This will make the histograms work in the intuitive way for bar charts:: ax.hist(10+2*np.random.randn(1000), label='men') ax.hist(12+3*np.random.randn(1000), label='women', alpha=0.5) ax.legend() **Example:** .. plot:: mpl_examples/pylab_examples/histogram_demo.py """ if not self._hold: self.cla() # NOTE: the range keyword overwrites the built-in func range !!! # needs to be fixed in with numpy !!! if kwargs.get('width') is not None: raise DeprecationWarning( 'hist now uses the rwidth to give relative width ' 'and not absolute width') try: # make sure a copy is created: don't use asarray x = np.transpose(np.array(x)) if len(x.shape)==1: x.shape = (1,x.shape[0]) elif len(x.shape)==2 and x.shape[1]<x.shape[0]: warnings.warn('2D hist should be nsamples x nvariables; ' 'this looks transposed') except ValueError: # multiple hist with data of different length if iterable(x[0]) and not is_string_like(x[0]): tx = [] for i in xrange(len(x)): tx.append( np.array(x[i]) ) x = tx else: raise ValueError, 'Can not use providet data to create a histogram' # Check whether bins or range are given explicitly. In that # case do not autoscale axes. binsgiven = (cbook.iterable(bins) or range is not None) # check the version of the numpy if np.__version__ < "1.3": # version 1.1 and 1.2 hist_kwargs = dict(range=range, normed=bool(normed), new=True) else: # version 1.3 and later, drop new=True hist_kwargs = dict(range=range, normed=bool(normed)) n = [] for i in xrange(len(x)): # this will automatically overwrite bins, # so that each histogram uses the same bins m, bins = np.histogram(x[i], bins, **hist_kwargs) n.append(m) if cumulative: slc = slice(None) if cbook.is_numlike(cumulative) and cumulative < 0: slc = slice(None,None,-1) if normed: n = [(m * np.diff(bins))[slc].cumsum()[slc] for m in n] else: n = [m[slc].cumsum()[slc] for m in n] patches = [] if histtype.startswith('bar'): totwidth = np.diff(bins) stacked = False if rwidth is not None: dr = min(1., max(0., rwidth)) elif len(n)>1: dr = 0.8 else: dr = 1.0 if histtype=='bar': width = dr*totwidth/len(n) dw = width if len(n)>1: boffset = -0.5*dr*totwidth*(1.-1./len(n)) else: boffset = 0.0 elif histtype=='barstacked': width = dr*totwidth boffset, dw = 0.0, 0.0 stacked = True else: raise ValueError, 'invalid histtype: {0!s}'.format(histtype) if align == 'mid' or align == 'edge': boffset += 0.5*totwidth elif align == 'right': boffset += totwidth elif align != 'left' and align != 'center': raise ValueError, 'invalid align: {0!s}'.format(align) if orientation == 'horizontal': for m in n: color = self._get_lines._get_next_cycle_color() patch = self.barh(bins[:-1]+boffset, m, height=width, left=bottom, align='center', log=log, color=color) patches.append(patch) if stacked: if bottom is None: bottom = 0.0 bottom += m boffset += dw elif orientation == 'vertical': for m in n: color = self._get_lines._get_next_cycle_color() patch = self.bar(bins[:-1]+boffset, m, width=width, bottom=bottom, align='center', log=log, color=color) patches.append(patch) if stacked: if bottom is None: bottom = 0.0 bottom += m boffset += dw else: raise ValueError, 'invalid orientation: {0!s}'.format(orientation) elif histtype.startswith('step'): x = np.zeros( 2*len(bins), np.float ) y = np.zeros( 2*len(bins), np.float ) x[0::2], x[1::2] = bins, bins if align == 'left' or align == 'center': x -= 0.5*(bins[1]-bins[0]) elif align == 'right': x += 0.5*(bins[1]-bins[0]) elif align != 'mid' and align != 'edge': raise ValueError, 'invalid align: {0!s}'.format(align) if log: y[0],y[-1] = 1e-100, 1e-100 if orientation == 'horizontal': self.set_xscale('log') elif orientation == 'vertical': self.set_yscale('log') fill = False if histtype == 'stepfilled': fill = True elif histtype != 'step': raise ValueError, 'invalid histtype: {0!s}'.format(histtype) for m in n: y[1:-1:2], y[2::2] = m, m if orientation == 'horizontal': x,y = y,x elif orientation != 'vertical': raise ValueError, 'invalid orientation: {0!s}'.format(orientation) color = self._get_lines._get_next_cycle_color() if fill: patches.append( self.fill(x, y, closed=False, facecolor=color) ) else: patches.append( self.fill(x, y, closed=False, edgecolor=color, fill=False) ) # adopted from adjust_x/ylim part of the bar method if orientation == 'horizontal': xmin, xmax = 0, self.dataLim.intervalx[1] for m in n: xmin = np.amin(m[m!=0]) # filter out the 0 height bins xmin = max(xmin*0.9, 1e-100) self.dataLim.intervalx = (xmin, xmax) elif orientation == 'vertical': ymin, ymax = 0, self.dataLim.intervaly[1] for m in n: ymin = np.amin(m[m!=0]) # filter out the 0 height bins ymin = max(ymin*0.9, 1e-100) self.dataLim.intervaly = (ymin, ymax) self.autoscale_view() else: raise ValueError, 'invalid histtype: {0!s}'.format(histtype) label = kwargs.pop('label', '') for patch in patches: for p in patch: p.update(kwargs) p.set_label(label) label = '_nolegend_' if binsgiven: self.set_autoscale_on(False) if orientation == 'vertical': self.autoscale_view(scalex=False, scaley=True) XL = self.xaxis.get_major_locator().view_limits(bins[0], bins[-1]) self.set_xbound(XL) else: self.autoscale_view(scalex=True, scaley=False) YL = self.yaxis.get_major_locator().view_limits(bins[0], bins[-1]) self.set_ybound(YL) if len(n)==1: return n[0], bins, cbook.silent_list('Patch', patches[0]) else: return n, bins, cbook.silent_list('Lists of Patches', patches) hist.__doc__ = cbook.dedent(hist.__doc__) % martist.kwdocd def psd(self, x, NFFT=256, Fs=2, Fc=0, detrend=mlab.detrend_none, window=mlab.window_hanning, noverlap=0, pad_to=None, sides='default', scale_by_freq=None, **kwargs): """ call signature:: psd(x, NFFT=256, Fs=2, Fc=0, detrend=mlab.detrend_none, window=mlab.window_hanning, noverlap=0, pad_to=None, sides='default', scale_by_freq=None, **kwargs) The power spectral density by Welch's average periodogram method. The vector *x* is divided into *NFFT* length segments. Each segment is detrended by function *detrend* and windowed by function *window*. *noverlap* gives the length of the overlap between segments. The :math:`|\mathrm{fft}(i)|^2` of each segment :math:`i` are averaged to compute *Pxx*, with a scaling to correct for power loss due to windowing. *Fs* is the sampling frequency. %(PSD)s *Fc*: integer The center frequency of *x* (defaults to 0), which offsets the x extents of the plot to reflect the frequency range used when a signal is acquired and then filtered and downsampled to baseband. Returns the tuple (*Pxx*, *freqs*). For plotting, the power is plotted as :math:`10\log_{10}(P_{xx})` for decibels, though *Pxx* itself is returned. References: Bendat & Piersol -- Random Data: Analysis and Measurement Procedures, John Wiley & Sons (1986) kwargs control the :class:`~matplotlib.lines.Line2D` properties: %(Line2D)s **Example:** .. plot:: mpl_examples/pylab_examples/psd_demo.py """ if not self._hold: self.cla() pxx, freqs = mlab.psd(x, NFFT, Fs, detrend, window, noverlap, pad_to, sides, scale_by_freq) pxx.shape = len(freqs), freqs += Fc if scale_by_freq in (None, True): psd_units = 'dB/Hz' else: psd_units = 'dB' self.plot(freqs, 10*np.log10(pxx), **kwargs) self.set_xlabel('Frequency') self.set_ylabel('Power Spectral Density ({0!s})'.format(psd_units)) self.grid(True) vmin, vmax = self.viewLim.intervaly intv = vmax-vmin logi = int(np.log10(intv)) if logi==0: logi=.1 step = 10*logi #print vmin, vmax, step, intv, math.floor(vmin), math.ceil(vmax)+1 ticks = np.arange(math.floor(vmin), math.ceil(vmax)+1, step) self.set_yticks(ticks) return pxx, freqs psd_doc_dict = dict() psd_doc_dict.update(martist.kwdocd) psd_doc_dict.update(mlab.kwdocd) psd_doc_dict['PSD'] = cbook.dedent(psd_doc_dict['PSD']) psd.__doc__ = cbook.dedent(psd.__doc__) % psd_doc_dict def csd(self, x, y, NFFT=256, Fs=2, Fc=0, detrend=mlab.detrend_none, window=mlab.window_hanning, noverlap=0, pad_to=None, sides='default', scale_by_freq=None, **kwargs): """ call signature:: csd(x, y, NFFT=256, Fs=2, Fc=0, detrend=mlab.detrend_none, window=mlab.window_hanning, noverlap=0, pad_to=None, sides='default', scale_by_freq=None, **kwargs) The cross spectral density :math:`P_{xy}` by Welch's average periodogram method. The vectors *x* and *y* are divided into *NFFT* length segments. Each segment is detrended by function *detrend* and windowed by function *window*. The product of the direct FFTs of *x* and *y* are averaged over each segment to compute :math:`P_{xy}`, with a scaling to correct for power loss due to windowing. Returns the tuple (*Pxy*, *freqs*). *P* is the cross spectrum (complex valued), and :math:`10\log_{10}|P_{xy}|` is plotted. %(PSD)s *Fc*: integer The center frequency of *x* (defaults to 0), which offsets the x extents of the plot to reflect the frequency range used when a signal is acquired and then filtered and downsampled to baseband. References: Bendat & Piersol -- Random Data: Analysis and Measurement Procedures, John Wiley & Sons (1986) kwargs control the Line2D properties: %(Line2D)s **Example:** .. plot:: mpl_examples/pylab_examples/csd_demo.py .. seealso: :meth:`psd` For a description of the optional parameters. """ if not self._hold: self.cla() pxy, freqs = mlab.csd(x, y, NFFT, Fs, detrend, window, noverlap, pad_to, sides, scale_by_freq) pxy.shape = len(freqs), # pxy is complex freqs += Fc self.plot(freqs, 10*np.log10(np.absolute(pxy)), **kwargs) self.set_xlabel('Frequency') self.set_ylabel('Cross Spectrum Magnitude (dB)') self.grid(True) vmin, vmax = self.viewLim.intervaly intv = vmax-vmin step = 10*int(np.log10(intv)) ticks = np.arange(math.floor(vmin), math.ceil(vmax)+1, step) self.set_yticks(ticks) return pxy, freqs csd.__doc__ = cbook.dedent(csd.__doc__) % psd_doc_dict def cohere(self, x, y, NFFT=256, Fs=2, Fc=0, detrend=mlab.detrend_none, window=mlab.window_hanning, noverlap=0, pad_to=None, sides='default', scale_by_freq=None, **kwargs): """ call signature:: cohere(x, y, NFFT=256, Fs=2, Fc=0, detrend = mlab.detrend_none, window = mlab.window_hanning, noverlap=0, pad_to=None, sides='default', scale_by_freq=None, **kwargs) cohere the coherence between *x* and *y*. Coherence is the normalized cross spectral density: .. math:: C_{xy} = \\frac{|P_{xy}|^2}{P_{xx}P_{yy}} %(PSD)s *Fc*: integer The center frequency of *x* (defaults to 0), which offsets the x extents of the plot to reflect the frequency range used when a signal is acquired and then filtered and downsampled to baseband. The return value is a tuple (*Cxy*, *f*), where *f* are the frequencies of the coherence vector. kwargs are applied to the lines. References: * Bendat & Piersol -- Random Data: Analysis and Measurement Procedures, John Wiley & Sons (1986) kwargs control the :class:`~matplotlib.lines.Line2D` properties of the coherence plot: %(Line2D)s **Example:** .. plot:: mpl_examples/pylab_examples/cohere_demo.py """ if not self._hold: self.cla() cxy, freqs = mlab.cohere(x, y, NFFT, Fs, detrend, window, noverlap, scale_by_freq) freqs += Fc self.plot(freqs, cxy, **kwargs) self.set_xlabel('Frequency') self.set_ylabel('Coherence') self.grid(True) return cxy, freqs cohere.__doc__ = cbook.dedent(cohere.__doc__) % psd_doc_dict def specgram(self, x, NFFT=256, Fs=2, Fc=0, detrend=mlab.detrend_none, window=mlab.window_hanning, noverlap=128, cmap=None, xextent=None, pad_to=None, sides='default', scale_by_freq=None): """ call signature:: specgram(x, NFFT=256, Fs=2, Fc=0, detrend=mlab.detrend_none, window=mlab.window_hanning, noverlap=128, cmap=None, xextent=None, pad_to=None, sides='default', scale_by_freq=None) Compute a spectrogram of data in *x*. Data are split into *NFFT* length segments and the PSD of each section is computed. The windowing function *window* is applied to each segment, and the amount of overlap of each segment is specified with *noverlap*. %(PSD)s *Fc*: integer The center frequency of *x* (defaults to 0), which offsets the y extents of the plot to reflect the frequency range used when a signal is acquired and then filtered and downsampled to baseband. *cmap*: A :class:`matplotlib.cm.Colormap` instance; if *None* use default determined by rc *xextent*: The image extent along the x-axis. xextent = (xmin,xmax) The default is (0,max(bins)), where bins is the return value from :func:`mlab.specgram` Return value is (*Pxx*, *freqs*, *bins*, *im*): - *bins* are the time points the spectrogram is calculated over - *freqs* is an array of frequencies - *Pxx* is a len(times) x len(freqs) array of power - *im* is a :class:`matplotlib.image.AxesImage` instance Note: If *x* is real (i.e. non-complex), only the positive spectrum is shown. If *x* is complex, both positive and negative parts of the spectrum are shown. This can be overridden using the *sides* keyword argument. **Example:** .. plot:: mpl_examples/pylab_examples/specgram_demo.py """ if not self._hold: self.cla() Pxx, freqs, bins = mlab.specgram(x, NFFT, Fs, detrend, window, noverlap, pad_to, sides, scale_by_freq) Z = 10. * np.log10(Pxx) Z = np.flipud(Z) if xextent is None: xextent = 0, np.amax(bins) xmin, xmax = xextent freqs += Fc extent = xmin, xmax, freqs[0], freqs[-1] im = self.imshow(Z, cmap, extent=extent) self.axis('auto') return Pxx, freqs, bins, im specgram.__doc__ = cbook.dedent(specgram.__doc__) % psd_doc_dict del psd_doc_dict #So that this does not become an Axes attribute def spy(self, Z, precision=0, marker=None, markersize=None, aspect='equal', **kwargs): """ call signature:: spy(Z, precision=0, marker=None, markersize=None, aspect='equal', **kwargs) ``spy(Z)`` plots the sparsity pattern of the 2-D array *Z*. If *precision* is 0, any non-zero value will be plotted; else, values of :math:`|Z| > precision` will be plotted. For :class:`scipy.sparse.spmatrix` instances, there is a special case: if *precision* is 'present', any value present in the array will be plotted, even if it is identically zero. The array will be plotted as it would be printed, with the first index (row) increasing down and the second index (column) increasing to the right. By default aspect is 'equal', so that each array element occupies a square space; set the aspect kwarg to 'auto' to allow the plot to fill the plot box, or to any scalar number to specify the aspect ratio of an array element directly. Two plotting styles are available: image or marker. Both are available for full arrays, but only the marker style works for :class:`scipy.sparse.spmatrix` instances. If *marker* and *markersize* are *None*, an image will be returned and any remaining kwargs are passed to :func:`~matplotlib.pyplot.imshow`; else, a :class:`~matplotlib.lines.Line2D` object will be returned with the value of marker determining the marker type, and any remaining kwargs passed to the :meth:`~matplotlib.axes.Axes.plot` method. If *marker* and *markersize* are *None*, useful kwargs include: * *cmap* * *alpha* .. seealso:: :func:`~matplotlib.pyplot.imshow` For controlling colors, e.g. cyan background and red marks, use:: cmap = mcolors.ListedColormap(['c','r']) If *marker* or *markersize* is not *None*, useful kwargs include: * *marker* * *markersize* * *color* Useful values for *marker* include: * 's' square (default) * 'o' circle * '.' point * ',' pixel .. seealso:: :func:`~matplotlib.pyplot.plot` """ if precision is None: precision = 0 warnings.DeprecationWarning("Use precision=0 instead of None") # 2008/10/03 if marker is None and markersize is None and hasattr(Z, 'tocoo'): marker = 's' if marker is None and markersize is None: Z = np.asarray(Z) mask = np.absolute(Z)>precision if 'cmap' not in kwargs: kwargs['cmap'] = mcolors.ListedColormap(['w', 'k'], name='binary') nr, nc = Z.shape extent = [-0.5, nc-0.5, nr-0.5, -0.5] ret = self.imshow(mask, interpolation='nearest', aspect=aspect, extent=extent, origin='upper', **kwargs) else: if hasattr(Z, 'tocoo'): c = Z.tocoo() if precision == 'present': y = c.row x = c.col else: nonzero = np.absolute(c.data) > precision y = c.row[nonzero] x = c.col[nonzero] else: Z = np.asarray(Z) nonzero = np.absolute(Z)>precision y, x = np.nonzero(nonzero) if marker is None: marker = 's' if markersize is None: markersize = 10 marks = mlines.Line2D(x, y, linestyle='None', marker=marker, markersize=markersize, **kwargs) self.add_line(marks) nr, nc = Z.shape self.set_xlim(xmin=-0.5, xmax=nc-0.5) self.set_ylim(ymin=nr-0.5, ymax=-0.5) self.set_aspect(aspect) ret = marks self.title.set_y(1.05) self.xaxis.tick_top() self.xaxis.set_ticks_position('both') self.xaxis.set_major_locator(mticker.MaxNLocator(nbins=9, steps=[1, 2, 5, 10], integer=True)) self.yaxis.set_major_locator(mticker.MaxNLocator(nbins=9, steps=[1, 2, 5, 10], integer=True)) return ret def matshow(self, Z, **kwargs): ''' Plot a matrix or array as an image. The matrix will be shown the way it would be printed, with the first row at the top. Row and column numbering is zero-based. Argument: *Z* anything that can be interpreted as a 2-D array kwargs all are passed to :meth:`~matplotlib.axes.Axes.imshow`. :meth:`matshow` sets defaults for *extent*, *origin*, *interpolation*, and *aspect*; use care in overriding the *extent* and *origin* kwargs, because they interact. (Also, if you want to change them, you probably should be using imshow directly in your own version of matshow.) Returns: an :class:`matplotlib.image.AxesImage` instance. ''' Z = np.asarray(Z) nr, nc = Z.shape extent = [-0.5, nc-0.5, nr-0.5, -0.5] kw = {'extent': extent, 'origin': 'upper', 'interpolation': 'nearest', 'aspect': 'equal'} # (already the imshow default) kw.update(kwargs) im = self.imshow(Z, **kw) self.title.set_y(1.05) self.xaxis.tick_top() self.xaxis.set_ticks_position('both') self.xaxis.set_major_locator(mticker.MaxNLocator(nbins=9, steps=[1, 2, 5, 10], integer=True)) self.yaxis.set_major_locator(mticker.MaxNLocator(nbins=9, steps=[1, 2, 5, 10], integer=True)) return im class SubplotBase: """ Base class for subplots, which are :class:`Axes` instances with additional methods to facilitate generating and manipulating a set of :class:`Axes` within a figure. """ def __init__(self, fig, *args, **kwargs): """ *fig* is a :class:`matplotlib.figure.Figure` instance. *args* is the tuple (*numRows*, *numCols*, *plotNum*), where the array of subplots in the figure has dimensions *numRows*, *numCols*, and where *plotNum* is the number of the subplot being created. *plotNum* starts at 1 in the upper left corner and increases to the right. If *numRows* <= *numCols* <= *plotNum* < 10, *args* can be the decimal integer *numRows* * 100 + *numCols* * 10 + *plotNum*. """ self.figure = fig if len(args)==1: s = str(args[0]) if len(s) != 3: raise ValueError('Argument to subplot must be a 3 digits long') rows, cols, num = map(int, s) elif len(args)==3: rows, cols, num = args else: raise ValueError( 'Illegal argument to subplot') total = rows*cols num -= 1 # convert from matlab to python indexing # ie num in range(0,total) if num >= total: raise ValueError( 'Subplot number exceeds total subplots') self._rows = rows self._cols = cols self._num = num self.update_params() # _axes_class is set in the subplot_class_factory self._axes_class.__init__(self, fig, self.figbox, **kwargs) def get_geometry(self): 'get the subplot geometry, eg 2,2,3' return self._rows, self._cols, self._num+1 # COVERAGE NOTE: Never used internally or from examples def change_geometry(self, numrows, numcols, num): 'change subplot geometry, eg. from 1,1,1 to 2,2,3' self._rows = numrows self._cols = numcols self._num = num-1 self.update_params() self.set_position(self.figbox) def update_params(self): 'update the subplot position from fig.subplotpars' rows = self._rows cols = self._cols num = self._num pars = self.figure.subplotpars left = pars.left right = pars.right bottom = pars.bottom top = pars.top wspace = pars.wspace hspace = pars.hspace totWidth = right-left totHeight = top-bottom figH = totHeight/(rows + hspace*(rows-1)) sepH = hspace*figH figW = totWidth/(cols + wspace*(cols-1)) sepW = wspace*figW rowNum, colNum = divmod(num, cols) figBottom = top - (rowNum+1)*figH - rowNum*sepH figLeft = left + colNum*(figW + sepW) self.figbox = mtransforms.Bbox.from_bounds(figLeft, figBottom, figW, figH) self.rowNum = rowNum self.colNum = colNum self.numRows = rows self.numCols = cols if 0: print 'rcn', rows, cols, num print 'lbrt', left, bottom, right, top print 'self.figBottom', self.figBottom print 'self.figLeft', self.figLeft print 'self.figW', self.figW print 'self.figH', self.figH print 'self.rowNum', self.rowNum print 'self.colNum', self.colNum print 'self.numRows', self.numRows print 'self.numCols', self.numCols def is_first_col(self): return self.colNum==0 def is_first_row(self): return self.rowNum==0 def is_last_row(self): return self.rowNum==self.numRows-1 def is_last_col(self): return self.colNum==self.numCols-1 # COVERAGE NOTE: Never used internally or from examples def label_outer(self): """ set the visible property on ticklabels so xticklabels are visible only if the subplot is in the last row and yticklabels are visible only if the subplot is in the first column """ lastrow = self.is_last_row() firstcol = self.is_first_col() for label in self.get_xticklabels(): label.set_visible(lastrow) for label in self.get_yticklabels(): label.set_visible(firstcol) _subplot_classes = {} def subplot_class_factory(axes_class=None): # This makes a new class that inherits from SubclassBase and the # given axes_class (which is assumed to be a subclass of Axes). # This is perhaps a little bit roundabout to make a new class on # the fly like this, but it means that a new Subplot class does # not have to be created for every type of Axes. if axes_class is None: axes_class = Axes new_class = _subplot_classes.get(axes_class) if new_class is None: new_class = new.classobj("{0!s}Subplot".format((axes_class.__name__)), (SubplotBase, axes_class), {'_axes_class': axes_class}) _subplot_classes[axes_class] = new_class return new_class # This is provided for backward compatibility Subplot = subplot_class_factory() martist.kwdocd['Axes'] = martist.kwdocd['Subplot'] = martist.kwdoc(Axes) """ # this is some discarded code I was using to find the minimum positive # data point for some log scaling fixes. I realized there was a # cleaner way to do it, but am keeping this around as an example for # how to get the data out of the axes. Might want to make something # like this a method one day, or better yet make get_verts an Artist # method minx, maxx = self.get_xlim() if minx<=0 or maxx<=0: # find the min pos value in the data xs = [] for line in self.lines: xs.extend(line.get_xdata(orig=False)) for patch in self.patches: xs.extend([x for x,y in patch.get_verts()]) for collection in self.collections: xs.extend([x for x,y in collection.get_verts()]) posx = [x for x in xs if x>0] if len(posx): minx = min(posx) maxx = max(posx) # warning, probably breaks inverted axis self.set_xlim((0.1*minx, maxx)) """
runt18/nupic
external/linux32/lib/python2.6/site-packages/matplotlib/axes.py
Python
agpl-3.0
260,242
[ "Gaussian" ]
75c311883e3b4721870ffb3efea7bc0c4695a4670a93317f9c00d73c004d72c1
import numpy as np import openpnm as op from tqdm import tqdm __all__ = [ 'plot_connections', 'plot_coordinates', 'plot_networkx', 'plot_vpython', 'plot_tutorial', 'plot_network_jupyter', 'generate_voxel_image', ] def plot_connections(network, throats=None, ax=None, size_by=None, color_by=None, cmap='jet', color='b', alpha=1.0, linestyle='solid', linewidth=1, **kwargs): # pragma: no cover r""" Produce a 3D plot of the network topology. This shows how throats connect for quick visualization without having to export data to veiw in Paraview. Parameters ---------- network : GenericNetwork The network whose topological connections to plot throats : array_like (optional) The list of throats to plot if only a sub-sample is desired. This is useful for inspecting a small region of the network. If no throats are specified then all throats are shown. fig : Matplotlib figure handle and line property arguments (optional) If a ``fig`` is supplied, then the topology will be overlaid on this plot. This makes it possible to combine coordinates and connections, and to color throats differently for instance. size_by : array_like (optional) An ndarray of throat values (e.g. alg['throat.rate']). These values are used to scale the ``linewidth``, so if the lines are too thin, then increase ``linewidth``. color_by : str or array_like (optional) An ndarray of throat values (e.g. alg['throat.rate']). cmap : str or cmap object (optional) The matplotlib colormap to use if specfying a throat property for ``color_by`` color : str, optional (optional) A matplotlib named color (e.g. 'r' for red). alpha : float (optional) The transparency of the lines, with 1 being solid and 0 being invisible linestyle : str (optional) Can be one of {'solid', 'dashed', 'dashdot', 'dotted'}. Default is 'solid'. linewidth : float (optional) Controls the thickness of drawn lines. Is used to scale the thickness if ``size_by`` is given. Default is 1. If a value is provided for ``size_by`` then they are used to scale the ``linewidth``. **kwargs : dict All other keyword arguments are passed on to the ``Line3DCollection`` class of matplotlib, so check their documentation for additional formatting options. Returns ------- lc : LineCollection or Line3DCollection Matplotlib object containing the lines representing the throats. Notes ----- To create a single plot containing both pore coordinates and throats, consider creating an empty figure and then pass the ``ax`` object as an argument to ``plot_connections`` and ``plot_coordinates``. Otherwise, each call to either of these methods creates a new figure. See Also -------- plot_coordinates Examples -------- >>> import openpnm as op >>> import matplotlib as mpl >>> import matplotlib.pyplot as plt >>> mpl.use('Agg') >>> pn = op.network.Cubic(shape=[10, 10, 3]) >>> pn.add_boundary_pores() >>> Ts = pn.throats('*boundary', mode='not') # find internal throats >>> fig, ax = plt.subplots() # create empty figure >>> _ = op.topotools.plot_connections(network=pn, ... throats=Ts) # plot internal throats >>> Ts = pn.throats('*boundary') # find boundary throats >>> _ = op.topotools.plot_connections(network=pn, ... throats=Ts, ... ax=ax, ... color='r') # plot boundary throats in red """ import matplotlib.pyplot as plt from matplotlib import cm from matplotlib import colors as mcolors from mpl_toolkits.mplot3d import Axes3D from matplotlib.collections import LineCollection from mpl_toolkits.mplot3d.art3d import Line3DCollection from openpnm.topotools import dimensionality Ts = network.Ts if throats is None else network._parse_indices(throats) dim = dimensionality(network) ThreeD = True if dim.sum() == 3 else False # Add a dummy axis for 1D networks if dim.sum() == 1: dim[np.argwhere(~dim)[0]] = True if "fig" in kwargs.keys(): raise Exception("'fig' argument is deprecated, use 'ax' instead.") if ax is None: fig, ax = plt.subplots() else: # The next line is necessary if ax was created using plt.subplots() fig, ax = ax.get_figure(), ax.get_figure().gca() if ThreeD and ax.name != '3d': fig.delaxes(ax) ax = fig.add_subplot(111, projection='3d') # Collect coordinates Ps = np.unique(network['throat.conns'][Ts]) X, Y, Z = network['pore.coords'][Ps].T xyz = network["pore.coords"][:, dim] P1, P2 = network["throat.conns"][Ts].T throat_pos = np.column_stack((xyz[P1], xyz[P2])).reshape((Ts.size, 2, dim.sum())) # Deal with optional style related arguments if 'c' in kwargs.keys(): color = kwargs.pop('c') color = mcolors.to_rgb(color) + tuple([alpha]) # Override colors with color_by if given if color_by is not None: color = cm.get_cmap(name=cmap)(color_by / color_by.max()) color[:, 3] = alpha if size_by is not None: linewidth = size_by / size_by.max() * linewidth if ThreeD: lc = Line3DCollection(throat_pos, colors=color, cmap=cmap, linestyles=linestyle, linewidths=linewidth, antialiaseds=np.ones_like(network.Ts), **kwargs) else: lc = LineCollection(throat_pos, colors=color, cmap=cmap, linestyles=linestyle, linewidths=linewidth, antialiaseds=np.ones_like(network.Ts), **kwargs) ax.add_collection(lc) _scale_axes(ax=ax, X=X, Y=Y, Z=Z) _label_axes(ax=ax, X=X, Y=Y, Z=Z) fig.tight_layout() return lc def plot_coordinates(network, pores=None, ax=None, size_by=None, color_by=None, cmap='jet', color='r', alpha=1.0, marker='o', markersize=10, **kwargs): # pragma: no cover r""" Produce a 3D plot showing specified pore coordinates as markers. Parameters ---------- network : GenericNetwork The network whose topological connections to plot. pores : array_like (optional) The list of pores to plot if only a sub-sample is desired. This is useful for inspecting a small region of the network. If no pores are specified then all are shown. ax : Matplotlib axis handle If ``ax`` is supplied, then the coordinates will be overlaid. This enables the plotting of multiple different sets of pores as well as throat connections from ``plot_connections``. size_by : str or array_like An ndarray of pore values (e.g. alg['pore.concentration']). These values are normalized by scaled by ``markersize``. color_by : str or array_like An ndarray of pore values (e.g. alg['pore.concentration']). cmap : str or cmap object The matplotlib colormap to use if specfying a pore property for ``color_by`` color : str A matplotlib named color (e.g. 'r' for red). alpha : float The transparency of the lines, with 1 being solid and 0 being invisible marker : 's' The marker to use. The default is a circle. Options are explained `here <https://matplotlib.org/3.2.1/api/markers_api.html>`_ markersize : scalar Controls size of marker, default is 1.0. This value is used to scale the ``size_by`` argument if given. **kwargs All other keyword arguments are passed on to the ``scatter`` function of matplotlib, so check their documentation for additional formatting options. Returns ------- pc : PathCollection Matplotlib object containing the markers representing the pores. Notes ----- To create a single plot containing both pore coordinates and throats, consider creating an empty figure and then pass the ``ax`` object as an argument to ``plot_connections`` and ``plot_coordinates``. Otherwise, each call to either of these methods creates a new figure. See Also -------- plot_connections Examples -------- >>> import openpnm as op >>> import matplotlib as mpl >>> import matplotlib.pyplot as plt >>> mpl.use('Agg') >>> pn = op.network.Cubic(shape=[10, 10, 3]) >>> pn.add_boundary_pores() >>> Ps = pn.pores('internal') # find internal pores >>> fig, ax = plt.subplots() # create empty figure >>> _ = op.topotools.plot_coordinates(network=pn, ... pores=Ps, ... color='b', ... ax=ax) # plot internal pores >>> Ps = pn.pores('*boundary') # find boundary pores >>> _ = op.topotools.plot_coordinates(network=pn, ... pores=Ps, ... color='r', ... ax=ax) # plot boundary pores in red """ import matplotlib.pyplot as plt from matplotlib import cm from mpl_toolkits.mplot3d import Axes3D from openpnm.topotools import dimensionality Ps = network.Ps if pores is None else network._parse_indices(pores) dim = dimensionality(network) ThreeD = True if dim.sum() == 3 else False # Add a dummy axis for 1D networks if dim.sum() == 1: dim[np.argwhere(~dim)[0]] = True # Add 2 dummy axes for 0D networks (1 pore only) if dim.sum() == 0: dim[[0, 1]] = True if "fig" in kwargs.keys(): raise Exception("'fig' argument is deprecated, use 'ax' instead.") if ax is None: fig, ax = plt.subplots() else: # The next line is necessary if ax was created using plt.subplots() fig, ax = ax.get_figure(), ax.get_figure().gca() if ThreeD and ax.name != '3d': fig.delaxes(ax) ax = fig.add_subplot(111, projection='3d') # Collect specified coordinates X, Y, Z = network['pore.coords'][Ps].T # The bounding box for fig is the entire ntwork (to fix the problem with # overwriting figures' axes lim) Xl, Yl, Zl = network['pore.coords'].T # Parse formatting kwargs if 'c' in kwargs.keys(): color = kwargs.pop('c') if 's' in kwargs.keys(): markersize = kwargs.pop('s') if color_by is not None: color = cm.get_cmap(name=cmap)(color_by / color_by.max()) if size_by is not None: markersize = size_by / size_by.max() * markersize if ThreeD: sc = ax.scatter(X, Y, Z, c=color, s=markersize, marker=marker, alpha=alpha, **kwargs) _scale_axes(ax=ax, X=Xl, Y=Yl, Z=Zl) else: _X, _Y = np.column_stack((X, Y, Z))[:, dim].T sc = ax.scatter(_X, _Y, c=color, s=markersize, marker=marker, alpha=alpha, **kwargs) _scale_axes(ax=ax, X=Xl, Y=Yl, Z=np.zeros_like(Yl)) _label_axes(ax=ax, X=Xl, Y=Yl, Z=Zl) fig.tight_layout() return sc def _label_axes(ax, X, Y, Z): labels = ["X", "Y", "Z"] dim = np.zeros(3, dtype=bool) for i, arr in enumerate([X, Y, Z]): if np.unique(arr).size > 1: dim[i] = True # Add a dummy axis for 1D networks if dim.sum() == 1: dim[np.argwhere(~dim)[0]] = True # Add 2 dummy axes for 0D networks (1 pore only) if dim.sum() == 0: dim[[0, 1]] = True dim_idx = np.argwhere(dim).squeeze() ax.set_xlabel(labels[dim_idx[0]]) ax.set_ylabel(labels[dim_idx[1]]) if hasattr(ax, "set_zlim"): ax.set_zlabel("Z") def _scale_axes(ax, X, Y, Z): max_range = np.ptp([X, Y, Z]).max() / 2 mid_x = (X.max() + X.min()) * 0.5 mid_y = (Y.max() + Y.min()) * 0.5 mid_z = (Z.max() + Z.min()) * 0.5 ax.set_xlim(mid_x - max_range, mid_x + max_range) ax.set_ylim(mid_y - max_range, mid_y + max_range) if hasattr(ax, "set_zlim"): ax.set_zlim(mid_z - max_range, mid_z + max_range) else: ax.axis("equal") def plot_networkx(network, plot_throats=True, labels=None, colors=None, scale=1, ax=None, alpha=1.0): # pragma: no cover r""" Creates a pretty 2d plot for 2d OpenPNM networks. Parameters ---------- network : GenericNetwork plot_throats : bool, optional Plots throats as well as pores, if True. labels : list, optional List of OpenPNM labels colors : list, optional List of corresponding colors to the given `labels`. scale : float, optional Scale factor for size of pores. ax : matplotlib.Axes, optional Matplotlib axes object alpha: float, optional Transparency value, 1 is opaque and 0 is transparent """ import matplotlib.pyplot as plt from matplotlib.collections import PathCollection from networkx import Graph, draw_networkx_nodes, draw_networkx_edges from openpnm.topotools import dimensionality dims = dimensionality(network) if dims.sum() > 2: raise Exception("NetworkX plotting only works for 2D networks.") temp = network['pore.coords'].T[dims].squeeze() if dims.sum() == 1: x = temp y = np.zeros_like(x) if dims.sum() == 2: x, y = temp try: node_size = scale * network['pore.diameter'] except KeyError: node_size = np.ones_like(x) * scale * 0.5 G = Graph() pos = {network.Ps[i]: [x[i], y[i]] for i in range(network.Np)} if not np.isfinite(node_size).all(): node_size[~np.isfinite(node_size)] = np.nanmin(node_size) node_color = np.array(['k'] * len(network.Ps)) if labels: if not isinstance(labels, list): labels = [labels] if not isinstance(colors, list): colors = [colors] if len(labels) != len(colors): raise Exception('len(colors) must be equal to len(labels)!') for label, color in zip(labels, colors): node_color[network.pores(label)] = color if ax is None: fig, ax = plt.subplots() ax.set_aspect('equal', adjustable='datalim') offset = node_size.max() * 0.5 ax.set_xlim((x.min() - offset, x.max() + offset)) ax.set_ylim((y.min() - offset, y.max() + offset)) ax.axis("off") # Keep track of already plotted nodes temp = [id(item) for item in ax.collections if isinstance(item, PathCollection)] # Plot pores gplot = draw_networkx_nodes(G, ax=ax, pos=pos, nodelist=network.Ps.tolist(), alpha=alpha, node_color=node_color, edgecolors=node_color, node_size=node_size) # (Optionally) Plot throats if plot_throats: draw_networkx_edges(G, pos=pos, edge_color='k', alpha=alpha, edgelist=network['throat.conns'].tolist(), ax=ax) spi = 2700 # 1250 was obtained by trial and error figwidth, figheight = ax.get_figure().get_size_inches() figsize_ratio = figheight / figwidth data_ratio = ax.get_data_ratio() corr = min(figsize_ratio / data_ratio, 1) xrange = np.ptp(ax.get_xlim()) markersize = np.atleast_1d((corr*figwidth)**2 / xrange**2 * node_size**2 * spi) for item in ax.collections: if isinstance(item, PathCollection) and id(item) not in temp: item.set_sizes(markersize) return gplot def plot_vpython(network, Psize='pore.diameter', Tsize='throat.diameter', Pcolor=None, Tcolor=None, cmap='jet', **kwargs): # pragma: no cover r""" Quickly visualize a network in 3D using VPython. Parameters ---------- network : GenericNetwork The network to visualize. Psize : str (default = 'pore.diameter') The dictionary key pointing to the pore property by which sphere diameters should be scaled Tsize : str (default = 'throat.diameter') The dictionary key pointing to the throat property by which cylinder diameters should be scaled Pcolor : str The dictionary key pointing to the pore property which will control the sphere colors. The default is None, which results in a bright red for all pores. Tcolor : str The dictionary key pointing to the throat property which will control the cylinder colors. The default is None, which results in a unform pale blue for all throats. cmap : str or Matplotlib colormap object (default is 'jet') The color map to use when converting pore and throat properties to RGB colors. Can either be a string indicating which color map to fetch from matplotlib.cmap, or an actual cmap object. kwargs : dict Any additional kwargs that are received are passed to the VPython ``canvas`` object. Default options are: *'height' = 500* - Height of canvas *'width' = 800* - Width of canvas *'background' = [0, 0, 0]* - Sets the background color of canvas *'ambient' = [0.2, 0.2, 0.3]* - Sets the brightness of lighting Returns ------- canvas : VPython Canvas object The canvas object containing the generated scene. The object has several useful methods. Notes ----- **Important** a) This does not work in Spyder. It should only be called from a Jupyter Notebook. b) This is only meant for relatively small networks. For proper visualization use Paraview. """ import matplotlib.pyplot as plt try: from vpython import canvas, vec, sphere, cylinder except ModuleNotFoundError: raise Exception('VPython must be installed to use this function') if isinstance(cmap, str): cmap = getattr(plt.cm, cmap) if Pcolor is None: Pcolor = [vec(230/255, 57/255, 0/255)]*network.Np else: a = cmap(network[Pcolor]/network[Pcolor].max()) Pcolor = [vec(row[0], row[1], row[2]) for row in a] if Tcolor is None: Tcolor = [vec(51/255, 153/255, 255/255)]*network.Nt else: a = cmap(network[Tcolor]/network[Tcolor].max()) Tcolor = [vec(row[0], row[1], row[2]) for row in a] # Set default values for canvas properties if 'background' not in kwargs.keys(): kwargs['background'] = vec(1.0, 1.0, 1.0) if 'height' not in kwargs.keys(): kwargs['height'] = 500 if 'width' not in kwargs.keys(): kwargs['width'] = 800 # Parse any given values for canvas properties for item in kwargs.keys(): try: kwargs[item] = vec(*kwargs[item]) except TypeError: pass scene = canvas(title=network.name, **kwargs) for p in network.Ps: r = network[Psize][p]/2 xyz = network['pore.coords'][p] c = Pcolor[p] sphere(pos=vec(*xyz), radius=r, color=c, shininess=.5) for t in network.Ts: head = network['throat.endpoints.head'][t] tail = network['throat.endpoints.tail'][t] v = tail - head r = network[Tsize][t] L = np.sqrt(np.sum((head-tail)**2)) c = Tcolor[t] cylinder(pos=vec(*head), axis=vec(*v), opacity=1, size=vec(L, r, r), color=c) return scene def plot_tutorial(network, font_size=12, line_width=2, node_color='b', edge_color='r', node_size=500): # pragma: no cover r""" Generate a network plot suitable for tutorials and explanations. Parameters ---------- network : GenericNetwork The network to plot, should be 2D, since the z-coordinate will be ignored. font_size : int Size of font to use for labels. line_width : int Thickness of edge lines and node borders. node_color : str Color of node border. edge_color : str Color of edge lines. node_size : int Size of node circle. Returns ------- g : NetworkX plot object """ import networkx as nx import matplotlib.pyplot as plt from openpnm.io import to_networkx G = to_networkx(network=network) pos = {i: network['pore.coords'][i, 0:2] for i in network.Ps} labels = {i: i for i in network.Ps} edge_labels = {tuple(network['throat.conns'][i, :]): i for i in network.Ts} gplot = nx.draw_networkx_nodes(G, pos, node_size=node_size, node_color='w', edgecolors=node_color, linewidths=line_width) nx.draw_networkx_edges( G, pos, width=line_width, edge_color=edge_color) nx.draw_networkx_labels( G, pos, labels=labels, font_size=font_size, font_color='k') nx.draw_networkx_edge_labels( G, pos, edge_labels=edge_labels, font_size=font_size, font_color='k') # Prettify the figure (margins, etc.) plt.axis('off') ax = plt.gca() ax.margins(0.1, 0.1) ax.set_aspect("equal") fig = plt.gcf() fig.tight_layout() dims = op.topotools.dimensionality(network) xy_range = network.coords.ptp(axis=0)[dims] aspect_ratio = xy_range[0] / xy_range[1] fig.set_size_inches(5, 5 / aspect_ratio) return gplot def plot_network_jupyter(network, node_color=0, edge_color=0, node_size=1, node_scale=20, edge_scale=5, colormap='viridis'): r""" Visualize a network in 3D using Plotly. The pores and throats are scaled and colored by their properties. The final figure can be rotated and zoomed. Parameters ---------- network : GenericNetwork The network to visualize node_color : ndarray An array of values used for coloring the pores. If not given, the lowest value of the employed colormap is assigned to all markers. edge_color : ndarray An array of values used for coloring the throats. If not given, the lowest value of the employed colormap is assigned to all lines. node_size : ndarray An array of values controlling the size of the markers. If not given all markers will be the same size node_scale : scalar A scaler to resize the markers edge_scale : scalar A scaler to the line thickness colormap : str The colormap to use Returns ------- fig : Plotly graph object The graph object containing the generated plots. The object has several useful methods. Notes ----- **Important** a) This does not work in Spyder. It should only be called from a Jupyter Notebook. b) This is only meant for relatively small networks. For proper visualization use Paraview. """ try: import plotly.graph_objects as go except ImportError: raise Exception('Plotly is not installed.' 'Please install Plotly using "pip install plotly"') # Get xyz coords for points x_nodes, y_nodes, z_nodes = network.coords.T node_size = np.ones(network.Np)*node_size node_color = np.ones(network.Np)*node_color edge_color = np.ones(network.Nt)*edge_color node_labels = [str(i)+ ': ' + str(x) for i, x in enumerate(zip(node_size, node_color))] edge_labels = [str(i)+ ': ' + str(x) for i, x in enumerate(edge_color)] # Create edges and nodes coordinates N = network.Nt*3 x_edges = np.zeros(N) x_edges[np.arange(0, N, 3)] = network.coords[network.conns[:, 0]][:, 0] x_edges[np.arange(1, N, 3)] = network.coords[network.conns[:, 1]][:, 0] x_edges[np.arange(2, N, 3)] = np.nan y_edges = np.zeros(network.Nt*3) y_edges[np.arange(0, N, 3)] = network.coords[network.conns[:, 0]][:, 1] y_edges[np.arange(1, N, 3)] = network.coords[network.conns[:, 1]][:, 1] y_edges[np.arange(2, N, 3)] = np.nan z_edges = np.zeros(network.Nt*3) z_edges[np.arange(0, N, 3)] = network.coords[network.conns[:, 0]][:, 2] z_edges[np.arange(1, N, 3)] = network.coords[network.conns[:, 1]][:, 2] z_edges[np.arange(2, N, 3)] = np.nan # Create plotly's Scatter3d object for pores and throats trace_edges = go.Scatter3d(x=x_edges, y=y_edges, z=z_edges, mode='lines', line=dict(color=edge_color, width=edge_scale, colorscale=colormap), text=edge_labels, hoverinfo='text') trace_nodes = go.Scatter3d(x=x_nodes, y=y_nodes, z=z_nodes, mode='markers', marker=dict(symbol='circle', size=node_size*node_scale, color=node_color, colorscale=colormap, line=dict(color='black', width=0.5)), text=node_labels, hoverinfo='text') axis = dict(showbackground=False, showline=False, zeroline=False, showgrid=False, showticklabels=False, title='') layout = go.Layout(width=650, height=625, showlegend=False, scene=dict(xaxis=dict(axis), yaxis=dict(axis), zaxis=dict(axis),), margin=dict(t=100), hovermode='closest') data = [trace_edges, trace_nodes] fig = go.Figure(data=data, layout=layout) return fig def _generate_voxel_image(network, pore_shape, throat_shape, max_dim=200): r""" Generates a 3d numpy array from an OpenPNM network Parameters ---------- network : OpenPNM GenericNetwork Network from which voxel image is to be generated pore_shape : str Shape of pores in the network, valid choices are "sphere", "cube" throat_shape : str Shape of throats in the network, valid choices are "cylinder", "cuboid" max_dim : int Number of voxels in the largest dimension of the network Returns ------- im : ndarray Voxelated image corresponding to the given pore network model Notes ----- (1) The generated voxel image is labeled with 0s, 1s and 2s signifying solid phase, pores, and throats respectively. """ from skimage.morphology import cube, ball from porespy.tools import overlay, insert_cylinder xyz = network["pore.coords"] cn = network["throat.conns"] # Distance bounding box from the network by a fixed amount delta = network["pore.diameter"].mean() / 2 if isinstance(network, op.network.Cubic): try: delta = op.topotools.get_spacing(network).mean() / 2 except AttributeError: delta = network.spacing.mean() / 2 # Shift everything to avoid out-of-bounds extra_clearance = int(max_dim * 0.05) # Transform points to satisfy origin at (0, 0, 0) xyz0 = xyz.min(axis=0) - delta xyz += -xyz0 res = (xyz.ptp(axis=0).max() + 2 * delta) / max_dim shape = np.rint((xyz.max(axis=0) + delta) / res).astype(int) + 2 * extra_clearance # Transforming from real coords to matrix coords xyz = np.rint(xyz / res).astype(int) + extra_clearance pore_radi = np.rint(network["pore.diameter"] * 0.5 / res).astype(int) throat_radi = np.rint(network["throat.diameter"] * 0.5 / res).astype(int) im_pores = np.zeros(shape, dtype=np.uint8) im_throats = np.zeros_like(im_pores) if pore_shape == "cube": pore_elem = cube rp = pore_radi * 2 + 1 # +1 since num_voxel must be odd rp_max = int(2 * round(delta / res)) + 1 if pore_shape == "sphere": pore_elem = ball rp = pore_radi rp_max = int(round(delta / res)) if throat_shape == "cuboid": raise Exception("Not yet implemented, try 'cylinder'.") # Generating voxels for pores for i, pore in enumerate(tqdm(network.Ps)): elem = pore_elem(rp[i]) try: im_pores = overlay(im1=im_pores, im2=elem, c=xyz[i]) except ValueError: elem = pore_elem(rp_max) im_pores = overlay(im1=im_pores, im2=elem, c=xyz[i]) # Get rid of pore overlaps im_pores[im_pores > 0] = 1 # Generating voxels for throats for i, throat in enumerate(tqdm(network.Ts)): try: im_throats = insert_cylinder( im_throats, r=throat_radi[i], xyz0=xyz[cn[i, 0]], xyz1=xyz[cn[i, 1]]) except ValueError: im_throats = insert_cylinder( im_throats, r=rp_max, xyz0=xyz[cn[i, 0]], xyz1=xyz[cn[i, 1]]) # Get rid of throat overlaps im_throats[im_throats > 0] = 1 # Subtract pore-throat overlap from throats im_throats = (im_throats.astype(bool) * ~im_pores.astype(bool)).astype(np.uint8) im = im_pores * 1 + im_throats * 2 return im[extra_clearance:-extra_clearance, extra_clearance:-extra_clearance, extra_clearance:-extra_clearance] def generate_voxel_image(network, pore_shape="sphere", throat_shape="cylinder", max_dim=None, rtol=0.1): r""" Generate a voxel image from an GenericNetwork Parameters ---------- network : OpenPNM GenericNetwork Network from which voxel image is to be generated pore_shape : str Shape of pores in the network, valid choices are "sphere", "cube" throat_shape : str Shape of throats in the network, valid choices are "cylinder", "cuboid" max_dim : int Number of voxels in the largest dimension of the network rtol : float Stopping criteria for finding the smallest voxel image such that further increasing the number of voxels in each dimension by 25% would improve the predicted porosity of the image by less that ``rtol`` Returns ------- im : ndarray Voxelated image corresponding to the given pore network model Notes ----- (1) The generated voxelated image is labeled with 0s, 1s and 2s signifying solid phase, pores, and throats respectively. (2) If max_dim is not provided, the method calculates it such that the further increasing it doesn't change porosity by much. """ # If max_dim is provided, generate voxel image using max_dim if max_dim is not None: return _generate_voxel_image( network, pore_shape, throat_shape, max_dim=max_dim) max_dim = 200 # If max_dim is not provided, find best max_dim that predicts porosity err = 100 eps_old = 200 while err > rtol: im = _generate_voxel_image( network, pore_shape, throat_shape, max_dim=max_dim) eps = im.astype(bool).sum() / np.prod(im.shape) err = abs(1 - eps / eps_old) eps_old = eps max_dim = int(max_dim * 1.25) return im
PMEAL/OpenPNM
openpnm/topotools/_plottools.py
Python
mit
32,286
[ "ParaView" ]
2b9428b60338b3e7b39277eaded6410e9df40eb0f015e294868526a0854d1744
#!/usr/bin/env python2.7 # pySCLikeSync.py by GameplayJDK, # Copyright 2014 (c) GameplayJDK.de, # All rights reserved until further notice import sys import soundcloud import urllib import os import glob import mutagen # Prefix for all console output pre = "[pySCLikeSync] " # INFO: never show your account information to others! try: # The ClientID cli_id = sys.argv[1] # The ClientSecret cli_se = sys.argv[2] # Your email address: usr_nm = sys.argv[3] # Your password: usr_pw = sys.argv[4] # The name of the target user tr_user = sys.argv[5] # The limit of tracks to load tr_limit = sys.argv[6] # *** +Python code *** print pre+"Signing in as client..." client = soundcloud.Client(client_id=cli_id,client_secret=cli_se,username=usr_nm,password=usr_pw) print pre+"Signed in." print pre+"Loading liked tracks... ('http://www.soundcloud.com/"+tr_user+"/likes')" tracks = client.get('/users/'+tr_user+'/favorites', limit=tr_limit) print pre+"Loaded '"+str(len(tracks))+"' tracks." print pre+"Scanning for existing tracks..." count = 0 toskip = [] if os.path.isfile("track_id_store"): lines = open("track_id_store", 'r') for line in lines.readlines(): toskip.append(line.strip("\n")) count = count+1 print pre+"'"+str(count)+"': "+line.strip("\n") lines.close() track_id_store = open("track_id_store", 'a') print pre+"Scanned. Found '"+str(count)+"' existing tracks." count = 0 print pre+"Downloading new tracks..." for track in tracks: try: t_name = track.title t_url = client.get(track.stream_url, allow_redirects=False).location t_id = track.id if str(t_id) not in toskip: try: print pre+"Trying to download '"+t_url+"' to '"+t_name+"'..." urllib.urlretrieve(t_url, t_name+".mp3") count = count+1 track_id_store.write(str(t_id)+"\n") track_id_store.flush() print pre+"Successfully downloaded '"+t_url+"' to '"+t_name+".mp3'." try: audio = mutagen.mp3.MP3(t_name+".mp3") audio["TIT2"] = TIT2(encoding=3, text=[t_name]) print pre+"Successfully set ID3 tag for title." except: print pre+"Unable to set ID3 tag for title. (This is likely being caused by an internal mutagen error or a corrupted import)." except: if os.path.isfile(t_name+".mp3"): os.remove(t_name+".mp3") print pre+"Failed to download '"+t_url+"' to '"+t_name+".mp3'." else: print pre+"Skipped download of '"+t_url+"' to '"+t_name+".mp3'." except: print pre+"Failed to download track. (This is likely being caused by a httpStatusCode-404 of a removed track or by a failed attempt to remove an incomplete download file)." track_id_store.close() print pre+"Downloaded '"+str(count)+"/"+str(len(tracks))+"' tracks." count = 0 globbed = glob.glob("*.mp3") print pre+"Tracks in '"+os.getcwd()+"': ("+str(len(globbed))+")" for mp3f in globbed: print pre+"- "+mp3f # *** -Python code *** except Exception, ex: print pre+"Failed to run the program properly!" print pre+"Please report this error ('"+str(ex)+"') to the official issue tracker at 'https://github.com/GameplayJDK/pySCLikeSync/issues' or view the README.md at 'https://github.com/GameplayJDK/pySCLikeSync/blob/master/README.md' and visit the wiki at 'https://github.com/GameplayJDK/pySCLikeSync/wiki' to read about common errors."
GameplayJDK/pySCLikeSync
src/pySCLikeSync-v1.3.py
Python
gpl-3.0
3,820
[ "VisIt" ]
0f01c224167df5b2db4a7634411c186e6b6d91ccc6b30f70884733ada09c4216
from copy import deepcopy from glob import glob from os import path import dask.array as da import numpy as np from parcels.field import Field, DeferredArray from parcels.field import NestedField from parcels.field import SummedField from parcels.field import VectorField from parcels.grid import Grid from parcels.gridset import GridSet from parcels.grid import GridCode from parcels.tools.converters import TimeConverter, convert_xarray_time_units from parcels.tools.statuscodes import TimeExtrapolationError from parcels.tools.loggers import logger import functools try: from mpi4py import MPI except: MPI = None __all__ = ['FieldSet'] class FieldSet(object): """FieldSet class that holds hydrodynamic data needed to execute particles :param U: :class:`parcels.field.Field` object for zonal velocity component :param V: :class:`parcels.field.Field` object for meridional velocity component :param fields: Dictionary of additional :class:`parcels.field.Field` objects """ def __init__(self, U, V, fields=None): self.gridset = GridSet() self.completed = False if U: self.add_field(U, 'U') self.time_origin = self.U.grid.time_origin if isinstance(self.U, Field) else self.U[0].grid.time_origin if V: self.add_field(V, 'V') # Add additional fields as attributes if fields: for name, field in fields.items(): self.add_field(field, name) self.compute_on_defer = None @staticmethod def checkvaliddimensionsdict(dims): for d in dims: if d not in ['lon', 'lat', 'depth', 'time']: raise NameError('%s is not a valid key in the dimensions dictionary' % d) @classmethod def from_data(cls, data, dimensions, transpose=False, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, **kwargs): """Initialise FieldSet object from raw data :param data: Dictionary mapping field names to numpy arrays. Note that at least a 'U' and 'V' numpy array need to be given, and that the built-in Advection kernels assume that U and V are in m/s 1. If data shape is [xdim, ydim], [xdim, ydim, zdim], [xdim, ydim, tdim] or [xdim, ydim, zdim, tdim], whichever is relevant for the dataset, use the flag transpose=True 2. If data shape is [ydim, xdim], [zdim, ydim, xdim], [tdim, ydim, xdim] or [tdim, zdim, ydim, xdim], use the flag transpose=False (default value) 3. If data has any other shape, you first need to reorder it :param dimensions: Dictionary mapping field dimensions (lon, lat, depth, time) to numpy arrays. Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable (e.g. dimensions['U'], dimensions['V'], etc). :param transpose: Boolean whether to transpose data on read-in :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation, see also `this tutorial <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb>`_: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False Usage examples ============== * `Analytical advection <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_analyticaladvection.ipynb>`_ * `Diffusion <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_diffusion.ipynb>`_ * `Interpolation <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_interpolation.ipynb>`_ * `Unit converters <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb>`_ """ fields = {} for name, datafld in data.items(): # Use dimensions[name] if dimensions is a dict of dicts dims = dimensions[name] if name in dimensions else dimensions cls.checkvaliddimensionsdict(dims) if allow_time_extrapolation is None: allow_time_extrapolation = False if 'time' in dims else True lon = dims['lon'] lat = dims['lat'] depth = np.zeros(1, dtype=np.float32) if 'depth' not in dims else dims['depth'] time = np.zeros(1, dtype=np.float64) if 'time' not in dims else dims['time'] time = np.array(time) if not isinstance(time, np.ndarray) else time if isinstance(time[0], np.datetime64): time_origin = TimeConverter(time[0]) time = np.array([time_origin.reltime(t) for t in time]) else: time_origin = TimeConverter(0) grid = Grid.create_grid(lon, lat, depth, time, time_origin=time_origin, mesh=mesh) if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_data' fields[name] = Field(name, datafld, grid=grid, transpose=transpose, allow_time_extrapolation=allow_time_extrapolation, time_periodic=time_periodic, **kwargs) u = fields.pop('U', None) v = fields.pop('V', None) return cls(u, v, fields=fields) def add_field(self, field, name=None): """Add a :class:`parcels.field.Field` object to the FieldSet :param field: :class:`parcels.field.Field` object to be added :param name: Name of the :class:`parcels.field.Field` object to be added For usage examples see the following tutorials: * `Nested Fields <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_NestedFields.ipynb>`_ * `Unit converters <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb>`_ """ if self.completed: raise RuntimeError("FieldSet has already been completed. Are you trying to add a Field after you've created the ParticleSet?") name = field.name if name is None else name if hasattr(self, name): # check if Field with same name already exists when adding new Field raise RuntimeError("FieldSet already has a Field with name '%s'" % name) if isinstance(field, SummedField): setattr(self, name, field) field.name = name for fld in field: self.gridset.add_grid(fld) fld.fieldset = self elif isinstance(field, NestedField): setattr(self, name, field) for fld in field: self.gridset.add_grid(fld) fld.fieldset = self elif isinstance(field, list): raise NotImplementedError('FieldLists have been replaced by SummedFields. Use the + operator instead of []') else: setattr(self, name, field) if (isinstance(field.data, DeferredArray) or isinstance(field.data, da.core.Array)) and len(self.get_fields()) > 0: # ==== check for inhabiting the same grid, and homogenise the grid chunking ==== # g_set = field.grid grid_chunksize = field.field_chunksize dFiles = field.dataFiles is_processed_grid = False is_same_grid = False for fld in self.get_fields(): # avoid re-processing/overwriting existing and working fields if type(fld) in [VectorField, NestedField, SummedField] or fld.dataFiles is None: continue if fld.grid == g_set: is_processed_grid |= True break if not is_processed_grid: for fld in self.get_fields(): if type(fld) in [VectorField, NestedField, SummedField] or fld.dataFiles is None: continue procdims = fld.dimensions procinds = fld.indices procpaths = fld.dataFiles nowpaths = field.dataFiles if procdims == field.dimensions and procinds == field.indices: is_same_grid = False if field.grid.mesh == fld.grid.mesh: is_same_grid = True else: is_same_grid = True for dim in ['lon', 'lat', 'depth', 'time']: if dim in field.dimensions.keys() and dim in fld.dimensions.keys(): is_same_grid &= (field.dimensions[dim] == fld.dimensions[dim]) fld_g_dims = [fld.grid.tdim, fld.grid.zdim, fld.ydim, fld.xdim] field_g_dims = [field.grid.tdim, field.grid.zdim, field.grid.ydim, field.grid.xdim] for i in range(0, len(fld_g_dims)): is_same_grid &= (field_g_dims[i] == fld_g_dims[i]) if is_same_grid: g_set = fld.grid # ==== check here that the dims of field_chunksize are the same ==== # if g_set.master_chunksize is not None: res = False if (isinstance(field.field_chunksize, tuple) and isinstance(g_set.master_chunksize, tuple)) or (isinstance(field.field_chunksize, dict) and isinstance(g_set.master_chunksize, dict)): res |= functools.reduce(lambda i, j: i and j, map(lambda m, k: m == k, field.field_chunksize, g_set.master_chunksize), True) else: res |= (field.field_chunksize == g_set.master_chunksize) if res: grid_chunksize = g_set.master_chunksize if field.grid.master_chunksize is not None: logger.warning_once("Trying to initialize a shared grid with different chunking sizes - action prohibited. Replacing requested field_chunksize with grid's master chunksize.") else: raise ValueError("Conflict between grids of the same fieldset chunksize and requested field chunksize as well as the chunked name dimensions - Please apply the same chunksize to all fields in a shared grid!") if procpaths == nowpaths: dFiles = fld.dataFiles break if is_same_grid: if field.grid != g_set: field.grid = g_set if field.field_chunksize != grid_chunksize: field.field_chunksize = grid_chunksize if field.dataFiles != dFiles: field.dataFiles = dFiles self.gridset.add_grid(field) field.fieldset = self def add_vector_field(self, vfield): """Add a :class:`parcels.field.VectorField` object to the FieldSet :param vfield: :class:`parcels.field.VectorField` object to be added """ setattr(self, vfield.name, vfield) for v in vfield.__dict__.values(): if isinstance(v, Field) and (v not in self.get_fields()): self.add_field(v) vfield.fieldset = self if isinstance(vfield, NestedField): for f in vfield: f.fieldset = self def check_complete(self): assert self.U, 'FieldSet does not have a Field named "U"' assert self.V, 'FieldSet does not have a Field named "V"' for attr, value in vars(self).items(): if type(value) is Field: assert value.name == attr, 'Field %s.name (%s) is not consistent' % (value.name, attr) def check_velocityfields(U, V, W): if (U.interp_method == 'cgrid_velocity' and V.interp_method != 'cgrid_velocity') or \ (U.interp_method != 'cgrid_velocity' and V.interp_method == 'cgrid_velocity'): raise ValueError("If one of U,V.interp_method='cgrid_velocity', the other should be too") if 'linear_invdist_land_tracer' in [U.interp_method, V.interp_method]: raise NotImplementedError("interp_method='linear_invdist_land_tracer' is not implemented for U and V Fields") if U.interp_method == 'cgrid_velocity': if U.grid.xdim == 1 or U.grid.ydim == 1 or V.grid.xdim == 1 or V.grid.ydim == 1: raise NotImplementedError('C-grid velocities require longitude and latitude dimensions at least length 2') if U.gridindexingtype not in ['nemo', 'mitgcm', 'mom5', 'pop']: raise ValueError("Field.gridindexing has to be one of 'nemo', 'mitgcm', 'mom5' or 'pop'") if U.gridindexingtype == 'mitgcm' and U.grid.gtype in [GridCode.CurvilinearZGrid, GridCode.CurvilinearZGrid]: raise NotImplementedError('Curvilinear Grids are not implemented for mitgcm-style grid indexing.' 'If you have a use-case for this, please let us know by filing an Issue on github') if V.gridindexingtype != U.gridindexingtype or (W and W.gridindexingtype != U.gridindexingtype): raise ValueError('Not all velocity Fields have the same gridindexingtype') if isinstance(self.U, (SummedField, NestedField)): w = self.W if hasattr(self, 'W') else [None]*len(self.U) for U, V, W in zip(self.U, self.V, w): check_velocityfields(U, V, W) else: W = self.W if hasattr(self, 'W') else None check_velocityfields(self.U, self.V, W) for g in self.gridset.grids: g.check_zonal_periodic() if len(g.time) == 1: continue assert isinstance(g.time_origin.time_origin, type(self.time_origin.time_origin)), 'time origins of different grids must be have the same type' g.time = g.time + self.time_origin.reltime(g.time_origin) if g.defer_load: g.time_full = g.time_full + self.time_origin.reltime(g.time_origin) g.time_origin = self.time_origin if not hasattr(self, 'UV'): if isinstance(self.U, SummedField): self.add_vector_field(SummedField('UV', self.U, self.V)) elif isinstance(self.U, NestedField): self.add_vector_field(NestedField('UV', self.U, self.V)) else: self.add_vector_field(VectorField('UV', self.U, self.V)) if not hasattr(self, 'UVW') and hasattr(self, 'W'): if isinstance(self.U, SummedField): self.add_vector_field(SummedField('UVW', self.U, self.V, self.W)) elif isinstance(self.U, NestedField): self.add_vector_field(NestedField('UVW', self.U, self.V, self.W)) else: self.add_vector_field(VectorField('UVW', self.U, self.V, self.W)) ccode_fieldnames = [] counter = 1 for fld in self.get_fields(): if fld.name not in ccode_fieldnames: fld.ccode_name = fld.name else: fld.ccode_name = fld.name + str(counter) counter += 1 ccode_fieldnames.append(fld.ccode_name) for f in self.get_fields(): if type(f) in [VectorField, NestedField, SummedField] or f.dataFiles is None: continue if f.grid.depth_field is not None: if f.grid.depth_field == 'not_yet_set': raise ValueError("If depth dimension is set at 'not_yet_set', it must be added later using Field.set_depth_from_field(field)") if not f.grid.defer_load: depth_data = f.grid.depth_field.data f.grid.depth = depth_data if isinstance(depth_data, np.ndarray) else np.array(depth_data) self.completed = True @classmethod def parse_wildcards(cls, paths, filenames, var): if not isinstance(paths, list): paths = sorted(glob(str(paths))) if len(paths) == 0: notfound_paths = filenames[var] if isinstance(filenames, dict) and var in filenames else filenames raise IOError("FieldSet files not found: %s" % str(notfound_paths)) for fp in paths: if not path.exists(fp): raise IOError("FieldSet file not found: %s" % str(fp)) return paths @classmethod def from_netcdf(cls, filenames, variables, dimensions, indices=None, fieldtype=None, mesh='spherical', timestamps=None, allow_time_extrapolation=None, time_periodic=False, deferred_load=True, field_chunksize='auto', **kwargs): """Initialises FieldSet object from NetCDF files :param filenames: Dictionary mapping variables to file(s). The filepath may contain wildcards to indicate multiple files or be a list of file. filenames can be a list [files], a dictionary {var:[files]}, a dictionary {dim:[files]} (if lon, lat, depth and/or data not stored in same files as data), or a dictionary of dictionaries {var:{dim:[files]}}. time values are in filenames[data] :param variables: Dictionary mapping variables to variable names in the netCDF file(s). Note that the built-in Advection kernels assume that U and V are in m/s :param dimensions: Dictionary mapping data dimensions (lon, lat, depth, time, data) to dimensions in the netCF file(s). Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable (e.g. dimensions['U'], dimensions['V'], etc). :param indices: Optional dictionary of indices for each dimension to read from file(s), to allow for reading of subset of data. Default is to read the full extent of each dimension. Note that negative indices are not allowed. :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation, see also `this tuturial <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb>`_: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param timestamps: list of lists or array of arrays containing the timestamps for each of the files in filenames. Outer list/array corresponds to files, inner array corresponds to indices within files. Default is None if dimensions includes time. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False :param deferred_load: boolean whether to only pre-load data (in deferred mode) or fully load them (default: True). It is advised to deferred load the data, since in that case Parcels deals with a better memory management during particle set execution. deferred_load=False is however sometimes necessary for plotting the fields. :param interp_method: Method for interpolation. Options are 'linear' (default), 'nearest', 'linear_invdist_land_tracer', 'cgrid_velocity', 'cgrid_tracer' and 'bgrid_velocity' :param gridindexingtype: The type of gridindexing. Either 'nemo' (default) or 'mitgcm' are supported. See also the Grid indexing documentation on oceanparcels.org :param field_chunksize: size of the chunks in dask loading :param netcdf_engine: engine to use for netcdf reading in xarray. Default is 'netcdf', but in cases where this doesn't work, setting netcdf_engine='scipy' could help For usage examples see the following tutorials: * `Basic Parcels setup <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/parcels_tutorial.ipynb>`_ * `Argo floats <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_Argofloats.ipynb>`_ * `Timestamps <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_timestamps.ipynb>`_ * `Time-evolving depth dimensions <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_timevaryingdepthdimensions.ipynb>`_ """ # Ensure that times are not provided both in netcdf file and in 'timestamps'. if timestamps is not None and 'time' in dimensions: logger.warning_once("Time already provided, defaulting to dimensions['time'] over timestamps.") timestamps = None fields = {} if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_netcdf' for var, name in variables.items(): # Resolve all matching paths for the current variable paths = filenames[var] if type(filenames) is dict and var in filenames else filenames if type(paths) is not dict: paths = cls.parse_wildcards(paths, filenames, var) else: for dim, p in paths.items(): paths[dim] = cls.parse_wildcards(p, filenames, var) # Use dimensions[var] and indices[var] if either of them is a dict of dicts dims = dimensions[var] if var in dimensions else dimensions cls.checkvaliddimensionsdict(dims) inds = indices[var] if (indices and var in indices) else indices fieldtype = fieldtype[var] if (fieldtype and var in fieldtype) else fieldtype chunksize = field_chunksize[var] if (field_chunksize and var in field_chunksize) else field_chunksize grid = None grid_chunksize = chunksize dFiles = None # check if grid has already been processed (i.e. if other fields have same filenames, dimensions and indices) for procvar, _ in fields.items(): procdims = dimensions[procvar] if procvar in dimensions else dimensions procinds = indices[procvar] if (indices and procvar in indices) else indices procpaths = filenames[procvar] if isinstance(filenames, dict) and procvar in filenames else filenames nowpaths = filenames[var] if isinstance(filenames, dict) and var in filenames else filenames if procdims == dims and procinds == inds: if 'depth' in dims and dims['depth'] == 'not_yet_set': break processedGrid = False if ((not isinstance(filenames, dict)) or filenames[procvar] == filenames[var]): processedGrid = True elif isinstance(filenames[procvar], dict): processedGrid = True for dim in ['lon', 'lat', 'depth']: if dim in dimensions: processedGrid *= filenames[procvar][dim] == filenames[var][dim] if processedGrid: grid = fields[procvar].grid # ==== check here that the dims of field_chunksize are the same ==== # if grid.master_chunksize is not None: res = False if (isinstance(chunksize, tuple) and isinstance(grid.master_chunksize, tuple)) or (isinstance(chunksize, dict) and isinstance(grid.master_chunksize, dict)): res |= functools.reduce(lambda i, j: i and j, map(lambda m, k: m == k, chunksize, grid.master_chunksize), True) else: res |= (chunksize == grid.master_chunksize) if res: grid_chunksize = grid.master_chunksize logger.warning_once("Trying to initialize a shared grid with different chunking sizes - action prohibited. Replacing requested field_chunksize with grid's master chunksize.") else: raise ValueError("Conflict between grids of the same fieldset chunksize and requested field chunksize as well as the chunked name dimensions - Please apply the same chunksize to all fields in a shared grid!") if procpaths == nowpaths: dFiles = fields[procvar].dataFiles break fields[var] = Field.from_netcdf(paths, (var, name), dims, inds, grid=grid, mesh=mesh, timestamps=timestamps, allow_time_extrapolation=allow_time_extrapolation, time_periodic=time_periodic, deferred_load=deferred_load, fieldtype=fieldtype, field_chunksize=grid_chunksize, dataFiles=dFiles, **kwargs) u = fields.pop('U', None) v = fields.pop('V', None) return cls(u, v, fields=fields) @classmethod def from_nemo(cls, filenames, variables, dimensions, indices=None, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, tracer_interp_method='cgrid_tracer', field_chunksize='auto', **kwargs): """Initialises FieldSet object from NetCDF files of Curvilinear NEMO fields. See `here <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_nemo_curvilinear.ipynb>`_ for a detailed tutorial on the setup for 2D NEMO fields and `here <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_nemo_3D.ipynb>`_ for the tutorial on the setup for 3D NEMO fields. See `here <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/documentation_indexing.ipynb>`_ for a more detailed explanation of the different methods that can be used for c-grid datasets. :param filenames: Dictionary mapping variables to file(s). The filepath may contain wildcards to indicate multiple files, or be a list of file. filenames can be a list [files], a dictionary {var:[files]}, a dictionary {dim:[files]} (if lon, lat, depth and/or data not stored in same files as data), or a dictionary of dictionaries {var:{dim:[files]}} time values are in filenames[data] :param variables: Dictionary mapping variables to variable names in the netCDF file(s). Note that the built-in Advection kernels assume that U and V are in m/s :param dimensions: Dictionary mapping data dimensions (lon, lat, depth, time, data) to dimensions in the netCF file(s). Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable. Watch out: NEMO is discretised on a C-grid: U and V velocities are not located on the same nodes (see https://www.nemo-ocean.eu/doc/node19.html ). +-----------------------------+-----------------------------+-----------------------------+ | | V[k,j+1,i+1] | | +-----------------------------+-----------------------------+-----------------------------+ |U[k,j+1,i] |W[k:k+2,j+1,i+1],T[k,j+1,i+1]|U[k,j+1,i+1] | +-----------------------------+-----------------------------+-----------------------------+ | | V[k,j,i+1] + | +-----------------------------+-----------------------------+-----------------------------+ To interpolate U, V velocities on the C-grid, Parcels needs to read the f-nodes, which are located on the corners of the cells. (for indexing details: https://www.nemo-ocean.eu/doc/img360.png ) In 3D, the depth is the one corresponding to W nodes The gridindexingtype is set to 'nemo'. See also the Grid indexing documentation on oceanparcels.org :param indices: Optional dictionary of indices for each dimension to read from file(s), to allow for reading of subset of data. Default is to read the full extent of each dimension. Note that negative indices are not allowed. :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation, see also `this tutorial <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb>`_: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False :param tracer_interp_method: Method for interpolation of tracer fields. It is recommended to use 'cgrid_tracer' (default) Note that in the case of from_nemo() and from_cgrid(), the velocity fields are default to 'cgrid_velocity' :param field_chunksize: size of the chunks in dask loading """ if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_nemo' if kwargs.pop('gridindexingtype', 'nemo') != 'nemo': raise ValueError("gridindexingtype must be 'nemo' in FieldSet.from_nemo(). Use FieldSet.from_c_grid_dataset otherwise") fieldset = cls.from_c_grid_dataset(filenames, variables, dimensions, mesh=mesh, indices=indices, time_periodic=time_periodic, allow_time_extrapolation=allow_time_extrapolation, tracer_interp_method=tracer_interp_method, field_chunksize=field_chunksize, gridindexingtype='nemo', **kwargs) if hasattr(fieldset, 'W'): fieldset.W.set_scaling_factor(-1.) return fieldset @classmethod def from_mitgcm(cls, filenames, variables, dimensions, indices=None, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, tracer_interp_method='cgrid_tracer', field_chunksize='auto', **kwargs): """Initialises FieldSet object from NetCDF files of MITgcm fields. All parameters and keywords are exactly the same as for FieldSet.from_nemo(), except that gridindexing is set to 'mitgcm' for grids that have the shape _________________V[k,j+1,i]__________________ | | | | U[k,j,i] W[k-1:k,j,i], T[k,j,i] U[k,j,i+1] | | | | |_________________V[k,j,i]____________________| (For indexing details: https://mitgcm.readthedocs.io/en/latest/algorithm/algorithm.html#spatial-discretization-of-the-dynamical-equations) """ if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_mitgcm' if kwargs.pop('gridindexingtype', 'mitgcm') != 'mitgcm': raise ValueError("gridindexingtype must be 'mitgcm' in FieldSet.from_mitgcm(). Use FieldSet.from_c_grid_dataset otherwise") fieldset = cls.from_c_grid_dataset(filenames, variables, dimensions, mesh=mesh, indices=indices, time_periodic=time_periodic, allow_time_extrapolation=allow_time_extrapolation, tracer_interp_method=tracer_interp_method, field_chunksize=field_chunksize, gridindexingtype='mitgcm', **kwargs) if hasattr(fieldset, 'W'): fieldset.W.set_scaling_factor(-1.) return fieldset @classmethod def from_c_grid_dataset(cls, filenames, variables, dimensions, indices=None, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, tracer_interp_method='cgrid_tracer', gridindexingtype='nemo', field_chunksize='auto', **kwargs): """Initialises FieldSet object from NetCDF files of Curvilinear NEMO fields. See `here <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/documentation_indexing.ipynb>`_ for a more detailed explanation of the different methods that can be used for c-grid datasets. :param filenames: Dictionary mapping variables to file(s). The filepath may contain wildcards to indicate multiple files, or be a list of file. filenames can be a list [files], a dictionary {var:[files]}, a dictionary {dim:[files]} (if lon, lat, depth and/or data not stored in same files as data), or a dictionary of dictionaries {var:{dim:[files]}} time values are in filenames[data] :param variables: Dictionary mapping variables to variable names in the netCDF file(s). :param dimensions: Dictionary mapping data dimensions (lon, lat, depth, time, data) to dimensions in the netCF file(s). Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable. Watch out: NEMO is discretised on a C-grid: U and V velocities are not located on the same nodes (see https://www.nemo-ocean.eu/doc/node19.html ). +-----------------------------+-----------------------------+-----------------------------+ | | V[k,j+1,i+1] | | +-----------------------------+-----------------------------+-----------------------------+ |U[k,j+1,i] |W[k:k+2,j+1,i+1],T[k,j+1,i+1]|U[k,j+1,i+1] | +-----------------------------+-----------------------------+-----------------------------+ | | V[k,j,i+1] + | +-----------------------------+-----------------------------+-----------------------------+ To interpolate U, V velocities on the C-grid, Parcels needs to read the f-nodes, which are located on the corners of the cells. (for indexing details: https://www.nemo-ocean.eu/doc/img360.png ) In 3D, the depth is the one corresponding to W nodes. :param indices: Optional dictionary of indices for each dimension to read from file(s), to allow for reading of subset of data. Default is to read the full extent of each dimension. Note that negative indices are not allowed. :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False :param tracer_interp_method: Method for interpolation of tracer fields. It is recommended to use 'cgrid_tracer' (default) Note that in the case of from_nemo() and from_cgrid(), the velocity fields are default to 'cgrid_velocity' :param gridindexingtype: The type of gridindexing. Set to 'nemo' in FieldSet.from_nemo() See also the Grid indexing documentation on oceanparcels.org :param field_chunksize: size of the chunks in dask loading """ if 'U' in dimensions and 'V' in dimensions and dimensions['U'] != dimensions['V']: raise ValueError("On a C-grid, the dimensions of velocities should be the corners (f-points) of the cells, so the same for U and V. " "See also https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/documentation_indexing.ipynb") if 'U' in dimensions and 'W' in dimensions and dimensions['U'] != dimensions['W']: raise ValueError("On a C-grid, the dimensions of velocities should be the corners (f-points) of the cells, so the same for U, V and W. " "See also https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/documentation_indexing.ipynb") interp_method = {} for v in variables: if v in ['U', 'V', 'W']: interp_method[v] = 'cgrid_velocity' else: interp_method[v] = tracer_interp_method if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_c_grid_dataset' return cls.from_netcdf(filenames, variables, dimensions, mesh=mesh, indices=indices, time_periodic=time_periodic, allow_time_extrapolation=allow_time_extrapolation, interp_method=interp_method, field_chunksize=field_chunksize, gridindexingtype=gridindexingtype, **kwargs) @classmethod def from_pop(cls, filenames, variables, dimensions, indices=None, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, tracer_interp_method='bgrid_tracer', field_chunksize='auto', depth_units='m', **kwargs): """Initialises FieldSet object from NetCDF files of POP fields. It is assumed that the velocities in the POP fields is in cm/s. :param filenames: Dictionary mapping variables to file(s). The filepath may contain wildcards to indicate multiple files, or be a list of file. filenames can be a list [files], a dictionary {var:[files]}, a dictionary {dim:[files]} (if lon, lat, depth and/or data not stored in same files as data), or a dictionary of dictionaries {var:{dim:[files]}} time values are in filenames[data] :param variables: Dictionary mapping variables to variable names in the netCDF file(s). Note that the built-in Advection kernels assume that U and V are in m/s :param dimensions: Dictionary mapping data dimensions (lon, lat, depth, time, data) to dimensions in the netCF file(s). Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable. Watch out: POP is discretised on a B-grid: U and V velocity nodes are not located as W velocity and T tracer nodes (see http://www.cesm.ucar.edu/models/cesm1.0/pop2/doc/sci/POPRefManual.pdf ). +-----------------------------+-----------------------------+-----------------------------+ |U[k,j+1,i],V[k,j+1,i] | |U[k,j+1,i+1],V[k,j+1,i+1] | +-----------------------------+-----------------------------+-----------------------------+ | |W[k:k+2,j+1,i+1],T[k,j+1,i+1]| | +-----------------------------+-----------------------------+-----------------------------+ |U[k,j,i],V[k,j,i] | +U[k,j,i+1],V[k,j,i+1] | +-----------------------------+-----------------------------+-----------------------------+ In 2D: U and V nodes are on the cell vertices and interpolated bilinearly as a A-grid. T node is at the cell centre and interpolated constant per cell as a C-grid. In 3D: U and V nodes are at the middle of the cell vertical edges, They are interpolated bilinearly (independently of z) in the cell. W nodes are at the centre of the horizontal interfaces. They are interpolated linearly (as a function of z) in the cell. T node is at the cell centre, and constant per cell. Note that Parcels assumes that the length of the depth dimension (at the W-points) is one larger than the size of the velocity and tracer fields in the depth dimension. :param indices: Optional dictionary of indices for each dimension to read from file(s), to allow for reading of subset of data. Default is to read the full extent of each dimension. Note that negative indices are not allowed. :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation, see also `this tutorial <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb>`_: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False :param tracer_interp_method: Method for interpolation of tracer fields. It is recommended to use 'bgrid_tracer' (default) Note that in the case of from_pop() and from_bgrid(), the velocity fields are default to 'bgrid_velocity' :param field_chunksize: size of the chunks in dask loading :param depth_units: The units of the vertical dimension. Default in Parcels is 'm', but many POP outputs are in 'cm' """ if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_pop' fieldset = cls.from_b_grid_dataset(filenames, variables, dimensions, mesh=mesh, indices=indices, time_periodic=time_periodic, allow_time_extrapolation=allow_time_extrapolation, tracer_interp_method=tracer_interp_method, field_chunksize=field_chunksize, gridindexingtype='pop', **kwargs) if hasattr(fieldset, 'U'): fieldset.U.set_scaling_factor(0.01) # cm/s to m/s if hasattr(fieldset, 'V'): fieldset.V.set_scaling_factor(0.01) # cm/s to m/s if hasattr(fieldset, 'W'): if depth_units == 'm': fieldset.W.set_scaling_factor(-0.01) # cm/s to m/s and change the W direction logger.warning_once("Parcels assumes depth in POP output to be in 'm'. Use depth_units='cm' if the output depth is in 'cm'.") elif depth_units == 'cm': fieldset.W.set_scaling_factor(-1.) # change the W direction but keep W in cm/s because depth is in cm else: raise SyntaxError("'depth_units' has to be 'm' or 'cm'") return fieldset @classmethod def from_mom5(cls, filenames, variables, dimensions, indices=None, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, tracer_interp_method='bgrid_tracer', field_chunksize='auto', **kwargs): """Initialises FieldSet object from NetCDF files of MOM5 fields. :param filenames: Dictionary mapping variables to file(s). The filepath may contain wildcards to indicate multiple files, or be a list of file. filenames can be a list [files], a dictionary {var:[files]}, a dictionary {dim:[files]} (if lon, lat, depth and/or data not stored in same files as data), or a dictionary of dictionaries {var:{dim:[files]}} time values are in filenames[data] :param variables: Dictionary mapping variables to variable names in the netCDF file(s). Note that the built-in Advection kernels assume that U and V are in m/s :param dimensions: Dictionary mapping data dimensions (lon, lat, depth, time, data) to dimensions in the netCF file(s). Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable. U[k,j+1,i],V[k,j+1,i] ____________________U[k,j+1,i+1],V[k,j+1,i+1] | | | W[k-1:k+1,j+1,i+1],T[k,j+1,i+1] | | | U[k,j,i],V[k,j,i] ________________________U[k,j,i+1],V[k,j,i+1] In 2D: U and V nodes are on the cell vertices and interpolated bilinearly as a A-grid. T node is at the cell centre and interpolated constant per cell as a C-grid. In 3D: U and V nodes are at the midlle of the cell vertical edges, They are interpolated bilinearly (independently of z) in the cell. W nodes are at the centre of the horizontal interfaces, but below the U and V. They are interpolated linearly (as a function of z) in the cell. Note that W is normally directed upward in MOM5, but Parcels requires W in the positive z-direction (downward) so W is multiplied by -1. T node is at the cell centre, and constant per cell. :param indices: Optional dictionary of indices for each dimension to read from file(s), to allow for reading of subset of data. Default is to read the full extent of each dimension. Note that negative indices are not allowed. :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation, see also https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False :param tracer_interp_method: Method for interpolation of tracer fields. It is recommended to use 'bgrid_tracer' (default) Note that in the case of from_mom5() and from_bgrid(), the velocity fields are default to 'bgrid_velocity' :param field_chunksize: size of the chunks in dask loading """ if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_mom5' fieldset = cls.from_b_grid_dataset(filenames, variables, dimensions, mesh=mesh, indices=indices, time_periodic=time_periodic, allow_time_extrapolation=allow_time_extrapolation, tracer_interp_method=tracer_interp_method, field_chunksize=field_chunksize, gridindexingtype='mom5', **kwargs) if hasattr(fieldset, 'W'): fieldset.W.set_scaling_factor(-1) return fieldset @classmethod def from_b_grid_dataset(cls, filenames, variables, dimensions, indices=None, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, tracer_interp_method='bgrid_tracer', field_chunksize='auto', **kwargs): """Initialises FieldSet object from NetCDF files of Bgrid fields. :param filenames: Dictionary mapping variables to file(s). The filepath may contain wildcards to indicate multiple files, or be a list of file. filenames can be a list [files], a dictionary {var:[files]}, a dictionary {dim:[files]} (if lon, lat, depth and/or data not stored in same files as data), or a dictionary of dictionaries {var:{dim:[files]}} time values are in filenames[data] :param variables: Dictionary mapping variables to variable names in the netCDF file(s). :param dimensions: Dictionary mapping data dimensions (lon, lat, depth, time, data) to dimensions in the netCF file(s). Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable. U and V velocity nodes are not located as W velocity and T tracer nodes (see http://www.cesm.ucar.edu/models/cesm1.0/pop2/doc/sci/POPRefManual.pdf ). +-----------------------------+-----------------------------+-----------------------------+ |U[k,j+1,i],V[k,j+1,i] | |U[k,j+1,i+1],V[k,j+1,i+1] | +-----------------------------+-----------------------------+-----------------------------+ | |W[k:k+2,j+1,i+1],T[k,j+1,i+1]| | +-----------------------------+-----------------------------+-----------------------------+ |U[k,j,i],V[k,j,i] | +U[k,j,i+1],V[k,j,i+1] | +-----------------------------+-----------------------------+-----------------------------+ In 2D: U and V nodes are on the cell vertices and interpolated bilinearly as a A-grid. T node is at the cell centre and interpolated constant per cell as a C-grid. In 3D: U and V nodes are at the midlle of the cell vertical edges, They are interpolated bilinearly (independently of z) in the cell. W nodes are at the centre of the horizontal interfaces. They are interpolated linearly (as a function of z) in the cell. T node is at the cell centre, and constant per cell. :param indices: Optional dictionary of indices for each dimension to read from file(s), to allow for reading of subset of data. Default is to read the full extent of each dimension. Note that negative indices are not allowed. :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False :param tracer_interp_method: Method for interpolation of tracer fields. It is recommended to use 'bgrid_tracer' (default) Note that in the case of from_pop() and from_bgrid(), the velocity fields are default to 'bgrid_velocity' :param field_chunksize: size of the chunks in dask loading """ if 'U' in dimensions and 'V' in dimensions and dimensions['U'] != dimensions['V']: raise ValueError("On a B-grid, the dimensions of velocities should be the (top) corners of the grid cells, so the same for U and V. " "See also https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/documentation_indexing.ipynb") if 'U' in dimensions and 'W' in dimensions and dimensions['U'] != dimensions['W']: raise ValueError("On a B-grid, the dimensions of velocities should be the (top) corners of the grid cells, so the same for U, V and W. " "See also https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/documentation_indexing.ipynb") interp_method = {} for v in variables: if v in ['U', 'V']: interp_method[v] = 'bgrid_velocity' elif v in ['W']: interp_method[v] = 'bgrid_w_velocity' else: interp_method[v] = tracer_interp_method if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_b_grid_dataset' return cls.from_netcdf(filenames, variables, dimensions, mesh=mesh, indices=indices, time_periodic=time_periodic, allow_time_extrapolation=allow_time_extrapolation, interp_method=interp_method, field_chunksize=field_chunksize, **kwargs) @classmethod def from_parcels(cls, basename, uvar='vozocrtx', vvar='vomecrty', indices=None, extra_fields=None, allow_time_extrapolation=None, time_periodic=False, deferred_load=True, field_chunksize='auto', **kwargs): """Initialises FieldSet data from NetCDF files using the Parcels FieldSet.write() conventions. :param basename: Base name of the file(s); may contain wildcards to indicate multiple files. :param indices: Optional dictionary of indices for each dimension to read from file(s), to allow for reading of subset of data. Default is to read the full extent of each dimension. Note that negative indices are not allowed. :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param extra_fields: Extra fields to read beyond U and V :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False :param deferred_load: boolean whether to only pre-load data (in deferred mode) or fully load them (default: True). It is advised to deferred load the data, since in that case Parcels deals with a better memory management during particle set execution. deferred_load=False is however sometimes necessary for plotting the fields. :param field_chunksize: size of the chunks in dask loading """ if extra_fields is None: extra_fields = {} if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_parcels' dimensions = {} default_dims = {'lon': 'nav_lon', 'lat': 'nav_lat', 'depth': 'depth', 'time': 'time_counter'} extra_fields.update({'U': uvar, 'V': vvar}) for vars in extra_fields: dimensions[vars] = deepcopy(default_dims) dimensions[vars]['depth'] = 'depth%s' % vars.lower() filenames = dict([(v, str("%s%s.nc" % (basename, v))) for v in extra_fields.keys()]) return cls.from_netcdf(filenames, indices=indices, variables=extra_fields, dimensions=dimensions, allow_time_extrapolation=allow_time_extrapolation, time_periodic=time_periodic, deferred_load=deferred_load, field_chunksize=field_chunksize, **kwargs) @classmethod def from_xarray_dataset(cls, ds, variables, dimensions, mesh='spherical', allow_time_extrapolation=None, time_periodic=False, **kwargs): """Initialises FieldSet data from xarray Datasets. :param ds: xarray Dataset. Note that the built-in Advection kernels assume that U and V are in m/s :param variables: Dictionary mapping parcels variable names to data variables in the xarray Dataset. :param dimensions: Dictionary mapping data dimensions (lon, lat, depth, time, data) to dimensions in the xarray Dataset. Note that dimensions can also be a dictionary of dictionaries if dimension names are different for each variable (e.g. dimensions['U'], dimensions['V'], etc). :param fieldtype: Optional dictionary mapping fields to fieldtypes to be used for UnitConverter. (either 'U', 'V', 'Kh_zonal', 'Kh_meridional' or None) :param mesh: String indicating the type of mesh coordinates and units used during velocity interpolation, see also `this tutorial <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_unitconverters.ipynb>`_: 1. spherical (default): Lat and lon in degree, with a correction for zonal velocity U near the poles. 2. flat: No conversion, lat/lon are assumed to be in m. :param allow_time_extrapolation: boolean whether to allow for extrapolation (i.e. beyond the last available time snapshot) Default is False if dimensions includes time, else True :param time_periodic: To loop periodically over the time component of the Field. It is set to either False or the length of the period (either float in seconds or datetime.timedelta object). (Default: False) This flag overrides the allow_time_interpolation and sets it to False """ fields = {} if 'creation_log' not in kwargs.keys(): kwargs['creation_log'] = 'from_xarray_dataset' if 'time' in dimensions: if 'units' not in ds[dimensions['time']].attrs and 'Unit' in ds[dimensions['time']].attrs: # Fix DataArrays that have time.Unit instead of expected time.units convert_xarray_time_units(ds, dimensions['time']) for var, name in variables.items(): dims = dimensions[var] if var in dimensions else dimensions cls.checkvaliddimensionsdict(dims) fields[var] = Field.from_xarray(ds[name], var, dims, mesh=mesh, allow_time_extrapolation=allow_time_extrapolation, time_periodic=time_periodic, **kwargs) u = fields.pop('U', None) v = fields.pop('V', None) return cls(u, v, fields=fields) def get_fields(self): """Returns a list of all the :class:`parcels.field.Field` and :class:`parcels.field.VectorField` objects associated with this FieldSet""" fields = [] for v in self.__dict__.values(): if type(v) in [Field, VectorField]: if v not in fields: fields.append(v) elif type(v) in [NestedField, SummedField]: if v not in fields: fields.append(v) for v2 in v: if v2 not in fields: fields.append(v2) return fields def add_constant(self, name, value): """Add a constant to the FieldSet. Note that all constants are stored as 32-bit floats. While constants can be updated during execution in SciPy mode, they can not be updated in JIT mode. Tutorials using fieldset.add_constant: `Analytical advection <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_analyticaladvection.ipynb>`_ `Diffusion <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_diffusion.ipynb>`_ `Periodic boundaries <https://nbviewer.jupyter.org/github/OceanParcels/parcels/blob/master/parcels/examples/tutorial_periodic_boundaries.ipynb>`_ :param name: Name of the constant :param value: Value of the constant (stored as 32-bit float) """ setattr(self, name, value) def add_periodic_halo(self, zonal=False, meridional=False, halosize=5): """Add a 'halo' to all :class:`parcels.field.Field` objects in a FieldSet, through extending the Field (and lon/lat) by copying a small portion of the field on one side of the domain to the other. :param zonal: Create a halo in zonal direction (boolean) :param meridional: Create a halo in meridional direction (boolean) :param halosize: size of the halo (in grid points). Default is 5 grid points """ for grid in self.gridset.grids: grid.add_periodic_halo(zonal, meridional, halosize) for attr, value in iter(self.__dict__.items()): if isinstance(value, Field): value.add_periodic_halo(zonal, meridional, halosize) def write(self, filename): """Write FieldSet to NetCDF file using NEMO convention :param filename: Basename of the output fileset""" if MPI is None or MPI.COMM_WORLD.Get_rank() == 0: logger.info("Generating FieldSet output with basename: %s" % filename) if hasattr(self, 'U'): self.U.write(filename, varname='vozocrtx') if hasattr(self, 'V'): self.V.write(filename, varname='vomecrty') for v in self.get_fields(): if (v.name != 'U') and (v.name != 'V'): v.write(filename) def advancetime(self, fieldset_new): """Replace oldest time on FieldSet with new FieldSet :param fieldset_new: FieldSet snapshot with which the oldest time has to be replaced""" logger.warning_once("Fieldset.advancetime() is deprecated.\n \ Parcels deals automatically with loading only 3 time steps simustaneously\ such that the total allocated memory remains limited.") advance = 0 for gnew in fieldset_new.gridset.grids: gnew.advanced = False for fnew in fieldset_new.get_fields(): if isinstance(fnew, VectorField): continue f = getattr(self, fnew.name) gnew = fnew.grid if not gnew.advanced: g = f.grid advance2 = g.advancetime(gnew) if advance2*advance < 0: raise RuntimeError("Some Fields of the Fieldset are advanced forward and other backward") advance = advance2 gnew.advanced = True f.advancetime(fnew, advance == 1) def computeTimeChunk(self, time, dt): """Load a chunk of three data time steps into the FieldSet. This is used when FieldSet uses data imported from netcdf, with default option deferred_load. The loaded time steps are at or immediatly before time and the two time steps immediately following time if dt is positive (and inversely for negative dt) :param time: Time around which the FieldSet chunks are to be loaded. Time is provided as a double, relatively to Fieldset.time_origin :param dt: time step of the integration scheme """ signdt = np.sign(dt) nextTime = np.infty if dt > 0 else -np.infty for g in self.gridset.grids: g.update_status = 'not_updated' for f in self.get_fields(): if type(f) in [VectorField, NestedField, SummedField] or not f.grid.defer_load: continue if f.grid.update_status == 'not_updated': nextTime_loc = f.grid.computeTimeChunk(f, time, signdt) if time == nextTime_loc and signdt != 0: raise TimeExtrapolationError(time, field=f, msg='In fset.computeTimeChunk') nextTime = min(nextTime, nextTime_loc) if signdt >= 0 else max(nextTime, nextTime_loc) for f in self.get_fields(): if type(f) in [VectorField, NestedField, SummedField] or not f.grid.defer_load or f.dataFiles is None: continue g = f.grid if g.update_status == 'first_updated': # First load of data if f.data is not None and not isinstance(f.data, DeferredArray): if not isinstance(f.data, list): f.data = None else: for i in range(len(f.data)): del f.data[i, :] lib = np if f.field_chunksize in [False, None] else da if f.gridindexingtype == 'pop' and g.zdim > 1: zd = g.zdim - 1 else: zd = g.zdim data = lib.empty((g.tdim, zd, g.ydim-2*g.meridional_halo, g.xdim-2*g.zonal_halo), dtype=np.float32) f.loaded_time_indices = range(3) for tind in f.loaded_time_indices: for fb in f.filebuffers: if fb is not None: fb.close() fb = None data = f.computeTimeChunk(data, tind) data = f.rescale_and_set_minmax(data) if(isinstance(f.data, DeferredArray)): f.data = DeferredArray() f.data = f.reshape(data) if not f.chunk_set: f.chunk_setup() if len(g.load_chunk) > 0: g.load_chunk = np.where(g.load_chunk == 2, 1, g.load_chunk) g.load_chunk = np.where(g.load_chunk == 3, 0, g.load_chunk) elif g.update_status == 'updated': lib = np if isinstance(f.data, np.ndarray) else da if f.gridindexingtype == 'pop' and g.zdim > 1: zd = g.zdim - 1 else: zd = g.zdim data = lib.empty((g.tdim, zd, g.ydim-2*g.meridional_halo, g.xdim-2*g.zonal_halo), dtype=np.float32) if signdt >= 0: f.loaded_time_indices = [2] if f.filebuffers[0] is not None: f.filebuffers[0].close() f.filebuffers[0] = None f.filebuffers[:2] = f.filebuffers[1:] data = f.computeTimeChunk(data, 2) else: f.loaded_time_indices = [0] if f.filebuffers[2] is not None: f.filebuffers[2].close() f.filebuffers[2] = None f.filebuffers[1:] = f.filebuffers[:2] data = f.computeTimeChunk(data, 0) data = f.rescale_and_set_minmax(data) if signdt >= 0: data = f.reshape(data)[2:, :] if lib is da: f.data = lib.concatenate([f.data[1:, :], data], axis=0) else: if not isinstance(f.data, DeferredArray): if isinstance(f.data, list): del f.data[0, :] else: f.data[0, :] = None f.data[:2, :] = f.data[1:, :] f.data[2, :] = data else: data = f.reshape(data)[0:1, :] if lib is da: f.data = lib.concatenate([data, f.data[:2, :]], axis=0) else: if not isinstance(f.data, DeferredArray): if isinstance(f.data, list): del f.data[2, :] else: f.data[2, :] = None f.data[1:, :] = f.data[:2, :] f.data[0, :] = data g.load_chunk = np.where(g.load_chunk == 3, 0, g.load_chunk) if isinstance(f.data, da.core.Array) and len(g.load_chunk) > 0: if signdt >= 0: for block_id in range(len(g.load_chunk)): if g.load_chunk[block_id] == 2: if f.data_chunks[block_id] is None: # file chunks were never loaded. # happens when field not called by kernel, but shares a grid with another field called by kernel break block = f.get_block(block_id) f.data_chunks[block_id][0] = None f.data_chunks[block_id][:2] = f.data_chunks[block_id][1:] f.data_chunks[block_id][2] = np.array(f.data.blocks[(slice(3),)+block][2]) else: for block_id in range(len(g.load_chunk)): if g.load_chunk[block_id] == 2: if f.data_chunks[block_id] is None: # file chunks were never loaded. # happens when field not called by kernel, but shares a grid with another field called by kernel break block = f.get_block(block_id) f.data_chunks[block_id][2] = None f.data_chunks[block_id][1:] = f.data_chunks[block_id][:2] f.data_chunks[block_id][0] = np.array(f.data.blocks[(slice(3),)+block][0]) # do user-defined computations on fieldset data if self.compute_on_defer: self.compute_on_defer(self) # update time varying grid depth for f in self.get_fields(): if type(f) in [VectorField, NestedField, SummedField] or not f.grid.defer_load or f.dataFiles is None: continue if f.grid.depth_field is not None: depth_data = f.grid.depth_field.data f.grid.depth = depth_data if isinstance(depth_data, np.ndarray) else np.array(depth_data) if abs(nextTime) == np.infty or np.isnan(nextTime): # Second happens when dt=0 return nextTime else: nSteps = int((nextTime - time) / dt) if nSteps == 0: return nextTime else: return time + nSteps * dt
OceanPARCELS/parcels
parcels/fieldset.py
Python
mit
76,063
[ "NetCDF" ]
b29bcd0e6cfd910c9ece8f8f4e4e012f6a6813cd0c31229393ef05181599fc5f
"""Convert to and from Roman numerals This program is part of "Dive Into Python", a free Python book for experienced programmers. Visit http://diveintopython.org/ for the latest version. """ __author__ = "Mark Pilgrim (mark@diveintopython.org)" __version__ = "$Revision: 1.2 $" __date__ = "$Date: 2004/05/05 21:57:20 $" __copyright__ = "Copyright (c) 2001 Mark Pilgrim" __license__ = "Python" #Define exceptions class RomanError(Exception): pass class OutOfRangeError(RomanError): pass class NotIntegerError(RomanError): pass class InvalidRomanNumeralError(RomanError): pass def toRoman(n): """convert integer to Roman numeral""" pass def fromRoman(s): """convert Roman numeral to integer""" pass
tapomayukh/projects_in_python
sandbox_tapo/src/refs/diveintopython-pdf-5.4/diveintopython-5.4/py/roman/stage1/roman1.py
Python
mit
719
[ "VisIt" ]
38e6811fd7c889c27e1a79dce7bac26339afa9ff8be21a5593563d9c85136663
# (c) 2013-2014, Michael DeHaan <michael.dehaan@gmail.com> # (c) 2015 Toshio Kuratomi <tkuratomi@ansible.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # Ansible is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with Ansible. If not, see <http://www.gnu.org/licenses/>. # Make coding more python3-ish from __future__ import (absolute_import, division, print_function) __metaclass__ = type import ast import base64 import datetime import imp import json import os import shlex import zipfile import random import re from io import BytesIO from ansible.release import __version__, __author__ from ansible import constants as C from ansible.errors import AnsibleError from ansible.module_utils._text import to_bytes, to_text from ansible.plugins import module_utils_loader from ansible.plugins.shell.powershell import async_watchdog, async_wrapper, become_wrapper, leaf_exec # Must import strategy and use write_locks from there # If we import write_locks directly then we end up binding a # variable to the object and then it never gets updated. from ansible.executor import action_write_locks try: from __main__ import display except ImportError: from ansible.utils.display import Display display = Display() REPLACER = b"#<<INCLUDE_ANSIBLE_MODULE_COMMON>>" REPLACER_VERSION = b"\"<<ANSIBLE_VERSION>>\"" REPLACER_COMPLEX = b"\"<<INCLUDE_ANSIBLE_MODULE_COMPLEX_ARGS>>\"" REPLACER_WINDOWS = b"# POWERSHELL_COMMON" REPLACER_JSONARGS = b"<<INCLUDE_ANSIBLE_MODULE_JSON_ARGS>>" REPLACER_SELINUX = b"<<SELINUX_SPECIAL_FILESYSTEMS>>" # We could end up writing out parameters with unicode characters so we need to # specify an encoding for the python source file ENCODING_STRING = u'# -*- coding: utf-8 -*-' # module_common is relative to module_utils, so fix the path _MODULE_UTILS_PATH = os.path.join(os.path.dirname(__file__), '..', 'module_utils') # ****************************************************************************** ANSIBALLZ_TEMPLATE = u'''%(shebang)s %(coding)s ANSIBALLZ_WRAPPER = True # For test-module script to tell this is a ANSIBALLZ_WRAPPER # This code is part of Ansible, but is an independent component. # The code in this particular templatable string, and this templatable string # only, is BSD licensed. Modules which end up using this snippet, which is # dynamically combined together by Ansible still belong to the author of the # module, and they may assign their own license to the complete work. # # Copyright (c), James Cammarata, 2016 # Copyright (c), Toshio Kuratomi, 2016 # # Redistribution and use in source and binary forms, with or without modification, # are permitted provided that the following conditions are met: # # * Redistributions of source code must retain the above copyright # notice, this list of conditions and the following disclaimer. # * Redistributions in binary form must reproduce the above copyright notice, # this list of conditions and the following disclaimer in the documentation # and/or other materials provided with the distribution. # # THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND # ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED # WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. # IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, # INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, # PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS # INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT # LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE # USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. import os import os.path import sys import __main__ # For some distros and python versions we pick up this script in the temporary # directory. This leads to problems when the ansible module masks a python # library that another import needs. We have not figured out what about the # specific distros and python versions causes this to behave differently. # # Tested distros: # Fedora23 with python3.4 Works # Ubuntu15.10 with python2.7 Works # Ubuntu15.10 with python3.4 Fails without this # Ubuntu16.04.1 with python3.5 Fails without this # To test on another platform: # * use the copy module (since this shadows the stdlib copy module) # * Turn off pipelining # * Make sure that the destination file does not exist # * ansible ubuntu16-test -m copy -a 'src=/etc/motd dest=/var/tmp/m' # This will traceback in shutil. Looking at the complete traceback will show # that shutil is importing copy which finds the ansible module instead of the # stdlib module scriptdir = None try: scriptdir = os.path.dirname(os.path.abspath(__main__.__file__)) except (AttributeError, OSError): # Some platforms don't set __file__ when reading from stdin # OSX raises OSError if using abspath() in a directory we don't have # permission to read. pass if scriptdir is not None: sys.path = [p for p in sys.path if p != scriptdir] import base64 import shutil import zipfile import tempfile import subprocess if sys.version_info < (3,): bytes = str PY3 = False else: unicode = str PY3 = True try: # Python-2.6+ from io import BytesIO as IOStream except ImportError: # Python < 2.6 from StringIO import StringIO as IOStream ZIPDATA = """%(zipdata)s""" def invoke_module(module, modlib_path, json_params): pythonpath = os.environ.get('PYTHONPATH') if pythonpath: os.environ['PYTHONPATH'] = ':'.join((modlib_path, pythonpath)) else: os.environ['PYTHONPATH'] = modlib_path p = subprocess.Popen([%(interpreter)s, module], env=os.environ, shell=False, stdout=subprocess.PIPE, stderr=subprocess.PIPE, stdin=subprocess.PIPE) (stdout, stderr) = p.communicate(json_params) if not isinstance(stderr, (bytes, unicode)): stderr = stderr.read() if not isinstance(stdout, (bytes, unicode)): stdout = stdout.read() if PY3: sys.stderr.buffer.write(stderr) sys.stdout.buffer.write(stdout) else: sys.stderr.write(stderr) sys.stdout.write(stdout) return p.returncode def debug(command, zipped_mod, json_params): # The code here normally doesn't run. It's only used for debugging on the # remote machine. # # The subcommands in this function make it easier to debug ansiballz # modules. Here's the basic steps: # # Run ansible with the environment variable: ANSIBLE_KEEP_REMOTE_FILES=1 and -vvv # to save the module file remotely:: # $ ANSIBLE_KEEP_REMOTE_FILES=1 ansible host1 -m ping -a 'data=october' -vvv # # Part of the verbose output will tell you where on the remote machine the # module was written to:: # [...] # <host1> SSH: EXEC ssh -C -q -o ControlMaster=auto -o ControlPersist=60s -o KbdInteractiveAuthentication=no -o # PreferredAuthentications=gssapi-with-mic,gssapi-keyex,hostbased,publickey -o PasswordAuthentication=no -o ConnectTimeout=10 -o # ControlPath=/home/badger/.ansible/cp/ansible-ssh-%%h-%%p-%%r -tt rhel7 '/bin/sh -c '"'"'LANG=en_US.UTF-8 LC_ALL=en_US.UTF-8 # LC_MESSAGES=en_US.UTF-8 /usr/bin/python /home/badger/.ansible/tmp/ansible-tmp-1461173013.93-9076457629738/ping'"'"'' # [...] # # Login to the remote machine and run the module file via from the previous # step with the explode subcommand to extract the module payload into # source files:: # $ ssh host1 # $ /usr/bin/python /home/badger/.ansible/tmp/ansible-tmp-1461173013.93-9076457629738/ping explode # Module expanded into: # /home/badger/.ansible/tmp/ansible-tmp-1461173408.08-279692652635227/ansible # # You can now edit the source files to instrument the code or experiment with # different parameter values. When you're ready to run the code you've modified # (instead of the code from the actual zipped module), use the execute subcommand like this:: # $ /usr/bin/python /home/badger/.ansible/tmp/ansible-tmp-1461173013.93-9076457629738/ping execute # Okay to use __file__ here because we're running from a kept file basedir = os.path.join(os.path.abspath(os.path.dirname(__file__)), 'debug_dir') args_path = os.path.join(basedir, 'args') script_path = os.path.join(basedir, 'ansible_module_%(ansible_module)s.py') if command == 'explode': # transform the ZIPDATA into an exploded directory of code and then # print the path to the code. This is an easy way for people to look # at the code on the remote machine for debugging it in that # environment z = zipfile.ZipFile(zipped_mod) for filename in z.namelist(): if filename.startswith('/'): raise Exception('Something wrong with this module zip file: should not contain absolute paths') dest_filename = os.path.join(basedir, filename) if dest_filename.endswith(os.path.sep) and not os.path.exists(dest_filename): os.makedirs(dest_filename) else: directory = os.path.dirname(dest_filename) if not os.path.exists(directory): os.makedirs(directory) f = open(dest_filename, 'wb') f.write(z.read(filename)) f.close() # write the args file f = open(args_path, 'wb') f.write(json_params) f.close() print('Module expanded into:') print('%%s' %% basedir) exitcode = 0 elif command == 'execute': # Execute the exploded code instead of executing the module from the # embedded ZIPDATA. This allows people to easily run their modified # code on the remote machine to see how changes will affect it. # This differs slightly from default Ansible execution of Python modules # as it passes the arguments to the module via a file instead of stdin. # Set pythonpath to the debug dir pythonpath = os.environ.get('PYTHONPATH') if pythonpath: os.environ['PYTHONPATH'] = ':'.join((basedir, pythonpath)) else: os.environ['PYTHONPATH'] = basedir p = subprocess.Popen([%(interpreter)s, script_path, args_path], env=os.environ, shell=False, stdout=subprocess.PIPE, stderr=subprocess.PIPE, stdin=subprocess.PIPE) (stdout, stderr) = p.communicate() if not isinstance(stderr, (bytes, unicode)): stderr = stderr.read() if not isinstance(stdout, (bytes, unicode)): stdout = stdout.read() if PY3: sys.stderr.buffer.write(stderr) sys.stdout.buffer.write(stdout) else: sys.stderr.write(stderr) sys.stdout.write(stdout) return p.returncode elif command == 'excommunicate': # This attempts to run the module in-process (by importing a main # function and then calling it). It is not the way ansible generally # invokes the module so it won't work in every case. It is here to # aid certain debuggers which work better when the code doesn't change # from one process to another but there may be problems that occur # when using this that are only artifacts of how we're invoking here, # not actual bugs (as they don't affect the real way that we invoke # ansible modules) # stub the args and python path sys.argv = ['%(ansible_module)s', args_path] sys.path.insert(0, basedir) from ansible_module_%(ansible_module)s import main main() print('WARNING: Module returned to wrapper instead of exiting') sys.exit(1) else: print('WARNING: Unknown debug command. Doing nothing.') exitcode = 0 return exitcode if __name__ == '__main__': # # See comments in the debug() method for information on debugging # ANSIBALLZ_PARAMS = %(params)s if PY3: ANSIBALLZ_PARAMS = ANSIBALLZ_PARAMS.encode('utf-8') try: # There's a race condition with the controller removing the # remote_tmpdir and this module executing under async. So we cannot # store this in remote_tmpdir (use system tempdir instead) temp_path = tempfile.mkdtemp(prefix='ansible_') zipped_mod = os.path.join(temp_path, 'ansible_modlib.zip') modlib = open(zipped_mod, 'wb') modlib.write(base64.b64decode(ZIPDATA)) modlib.close() if len(sys.argv) == 2: exitcode = debug(sys.argv[1], zipped_mod, ANSIBALLZ_PARAMS) else: z = zipfile.ZipFile(zipped_mod, mode='r') module = os.path.join(temp_path, 'ansible_module_%(ansible_module)s.py') f = open(module, 'wb') f.write(z.read('ansible_module_%(ansible_module)s.py')) f.close() # When installed via setuptools (including python setup.py install), # ansible may be installed with an easy-install.pth file. That file # may load the system-wide install of ansible rather than the one in # the module. sitecustomize is the only way to override that setting. z = zipfile.ZipFile(zipped_mod, mode='a') # py3: zipped_mod will be text, py2: it's bytes. Need bytes at the end sitecustomize = u'import sys\\nsys.path.insert(0,"%%s")\\n' %% zipped_mod sitecustomize = sitecustomize.encode('utf-8') # Use a ZipInfo to work around zipfile limitation on hosts with # clocks set to a pre-1980 year (for instance, Raspberry Pi) zinfo = zipfile.ZipInfo() zinfo.filename = 'sitecustomize.py' zinfo.date_time = ( %(year)i, %(month)i, %(day)i, %(hour)i, %(minute)i, %(second)i) z.writestr(zinfo, sitecustomize) z.close() exitcode = invoke_module(module, zipped_mod, ANSIBALLZ_PARAMS) finally: try: shutil.rmtree(temp_path) except OSError: # tempdir creation probably failed pass sys.exit(exitcode) ''' def _strip_comments(source): # Strip comments and blank lines from the wrapper buf = [] for line in source.splitlines(): l = line.strip() if not l or l.startswith(u'#'): continue buf.append(line) return u'\n'.join(buf) if C.DEFAULT_KEEP_REMOTE_FILES: # Keep comments when KEEP_REMOTE_FILES is set. That way users will see # the comments with some nice usage instructions ACTIVE_ANSIBALLZ_TEMPLATE = ANSIBALLZ_TEMPLATE else: # ANSIBALLZ_TEMPLATE stripped of comments for smaller over the wire size ACTIVE_ANSIBALLZ_TEMPLATE = _strip_comments(ANSIBALLZ_TEMPLATE) class ModuleDepFinder(ast.NodeVisitor): # Caveats: # This code currently does not handle: # * relative imports from py2.6+ from . import urls IMPORT_PREFIX_SIZE = len('ansible.module_utils.') def __init__(self, *args, **kwargs): """ Walk the ast tree for the python module. Save submodule[.submoduleN][.identifier] into self.submodules self.submodules will end up with tuples like: - ('basic',) - ('urls', 'fetch_url') - ('database', 'postgres') - ('database', 'postgres', 'quote') It's up to calling code to determine whether the final element of the dotted strings are module names or something else (function, class, or variable names) """ super(ModuleDepFinder, self).__init__(*args, **kwargs) self.submodules = set() def visit_Import(self, node): # import ansible.module_utils.MODLIB[.MODLIBn] [as asname] for alias in (a for a in node.names if a.name.startswith('ansible.module_utils.')): py_mod = alias.name[self.IMPORT_PREFIX_SIZE:] py_mod = tuple(py_mod.split('.')) self.submodules.add(py_mod) self.generic_visit(node) def visit_ImportFrom(self, node): # Specialcase: six is a special case because of its # import logic if node.names[0].name == '_six': self.submodules.add(('_six',)) elif node.module.startswith('ansible.module_utils'): where_from = node.module[self.IMPORT_PREFIX_SIZE:] if where_from: # from ansible.module_utils.MODULE1[.MODULEn] import IDENTIFIER [as asname] # from ansible.module_utils.MODULE1[.MODULEn] import MODULEn+1 [as asname] # from ansible.module_utils.MODULE1[.MODULEn] import MODULEn+1 [,IDENTIFIER] [as asname] py_mod = tuple(where_from.split('.')) for alias in node.names: self.submodules.add(py_mod + (alias.name,)) else: # from ansible.module_utils import MODLIB [,MODLIB2] [as asname] for alias in node.names: self.submodules.add((alias.name,)) self.generic_visit(node) def _slurp(path): if not os.path.exists(path): raise AnsibleError("imported module support code does not exist at %s" % os.path.abspath(path)) fd = open(path, 'rb') data = fd.read() fd.close() return data def _get_shebang(interpreter, task_vars, args=tuple()): """ Note not stellar API: Returns None instead of always returning a shebang line. Doing it this way allows the caller to decide to use the shebang it read from the file rather than trust that we reformatted what they already have correctly. """ interpreter_config = u'ansible_%s_interpreter' % os.path.basename(interpreter).strip() if interpreter_config not in task_vars: return (None, interpreter) interpreter = task_vars[interpreter_config].strip() shebang = u'#!' + interpreter if args: shebang = shebang + u' ' + u' '.join(args) return (shebang, interpreter) def recursive_finder(name, data, py_module_names, py_module_cache, zf): """ Using ModuleDepFinder, make sure we have all of the module_utils files that the module its module_utils files needs. """ # Parse the module and find the imports of ansible.module_utils tree = ast.parse(data) finder = ModuleDepFinder() finder.visit(tree) # # Determine what imports that we've found are modules (vs class, function. # variable names) for packages # normalized_modules = set() # Loop through the imports that we've found to normalize them # Exclude paths that match with paths we've already processed # (Have to exclude them a second time once the paths are processed) module_utils_paths = [p for p in module_utils_loader._get_paths(subdirs=False) if os.path.isdir(p)] module_utils_paths.append(_MODULE_UTILS_PATH) for py_module_name in finder.submodules.difference(py_module_names): module_info = None if py_module_name[0] == 'six': # Special case the python six library because it messes up the # import process in an incompatible way module_info = imp.find_module('six', module_utils_paths) py_module_name = ('six',) idx = 0 elif py_module_name[0] == '_six': # Special case the python six library because it messes up the # import process in an incompatible way module_info = imp.find_module('_six', [os.path.join(p, 'six') for p in module_utils_paths]) py_module_name = ('six', '_six') idx = 0 else: # Check whether either the last or the second to last identifier is # a module name for idx in (1, 2): if len(py_module_name) < idx: break try: module_info = imp.find_module(py_module_name[-idx], [os.path.join(p, *py_module_name[:-idx]) for p in module_utils_paths]) break except ImportError: continue # Could not find the module. Construct a helpful error message. if module_info is None: msg = ['Could not find imported module support code for %s. Looked for' % (name,)] if idx == 2: msg.append('either %s.py or %s.py' % (py_module_name[-1], py_module_name[-2])) else: msg.append(py_module_name[-1]) raise AnsibleError(' '.join(msg)) # Found a byte compiled file rather than source. We cannot send byte # compiled over the wire as the python version might be different. # imp.find_module seems to prefer to return source packages so we just # error out if imp.find_module returns byte compiled files (This is # fragile as it depends on undocumented imp.find_module behaviour) if module_info[2][2] not in (imp.PY_SOURCE, imp.PKG_DIRECTORY): msg = ['Could not find python source for imported module support code for %s. Looked for' % name] if idx == 2: msg.append('either %s.py or %s.py' % (py_module_name[-1], py_module_name[-2])) else: msg.append(py_module_name[-1]) raise AnsibleError(' '.join(msg)) if idx == 2: # We've determined that the last portion was an identifier and # thus, not part of the module name py_module_name = py_module_name[:-1] # If not already processed then we've got work to do if py_module_name not in py_module_names: # If not in the cache, then read the file into the cache # We already have a file handle for the module open so it makes # sense to read it now if py_module_name not in py_module_cache: if module_info[2][2] == imp.PKG_DIRECTORY: # Read the __init__.py instead of the module file as this is # a python package normalized_name = py_module_name + ('__init__',) normalized_path = os.path.join(os.path.join(module_info[1], '__init__.py')) normalized_data = _slurp(normalized_path) else: normalized_name = py_module_name normalized_path = module_info[1] normalized_data = module_info[0].read() module_info[0].close() py_module_cache[normalized_name] = (normalized_data, normalized_path) normalized_modules.add(normalized_name) # Make sure that all the packages that this module is a part of # are also added for i in range(1, len(py_module_name)): py_pkg_name = py_module_name[:-i] + ('__init__',) if py_pkg_name not in py_module_names: pkg_dir_info = imp.find_module(py_pkg_name[-1], [os.path.join(p, *py_pkg_name[:-1]) for p in module_utils_paths]) normalized_modules.add(py_pkg_name) py_module_cache[py_pkg_name] = (_slurp(pkg_dir_info[1]), pkg_dir_info[1]) # # iterate through all of the ansible.module_utils* imports that we haven't # already checked for new imports # # set of modules that we haven't added to the zipfile unprocessed_py_module_names = normalized_modules.difference(py_module_names) for py_module_name in unprocessed_py_module_names: py_module_path = os.path.join(*py_module_name) py_module_file_name = '%s.py' % py_module_path zf.writestr(os.path.join("ansible/module_utils", py_module_file_name), py_module_cache[py_module_name][0]) display.vvv("Using module_utils file %s" % py_module_cache[py_module_name][1]) # Add the names of the files we're scheduling to examine in the loop to # py_module_names so that we don't re-examine them in the next pass # through recursive_finder() py_module_names.update(unprocessed_py_module_names) for py_module_file in unprocessed_py_module_names: recursive_finder(py_module_file, py_module_cache[py_module_file][0], py_module_names, py_module_cache, zf) # Save memory; the file won't have to be read again for this ansible module. del py_module_cache[py_module_file] def _is_binary(b_module_data): textchars = bytearray(set([7, 8, 9, 10, 12, 13, 27]) | set(range(0x20, 0x100)) - set([0x7f])) start = b_module_data[:1024] return bool(start.translate(None, textchars)) def _find_module_utils(module_name, b_module_data, module_path, module_args, task_vars, module_compression): """ Given the source of the module, convert it to a Jinja2 template to insert module code and return whether it's a new or old style module. """ module_substyle = module_style = 'old' # module_style is something important to calling code (ActionBase). It # determines how arguments are formatted (json vs k=v) and whether # a separate arguments file needs to be sent over the wire. # module_substyle is extra information that's useful internally. It tells # us what we have to look to substitute in the module files and whether # we're using module replacer or ansiballz to format the module itself. if _is_binary(b_module_data): module_substyle = module_style = 'binary' elif REPLACER in b_module_data: # Do REPLACER before from ansible.module_utils because we need make sure # we substitute "from ansible.module_utils basic" for REPLACER module_style = 'new' module_substyle = 'python' b_module_data = b_module_data.replace(REPLACER, b'from ansible.module_utils.basic import *') elif b'from ansible.module_utils.' in b_module_data: module_style = 'new' module_substyle = 'python' elif REPLACER_WINDOWS in b_module_data or b'#Requires -Module' in b_module_data: module_style = 'new' module_substyle = 'powershell' elif REPLACER_JSONARGS in b_module_data: module_style = 'new' module_substyle = 'jsonargs' elif b'WANT_JSON' in b_module_data: module_substyle = module_style = 'non_native_want_json' shebang = None # Neither old-style, non_native_want_json nor binary modules should be modified # except for the shebang line (Done by modify_module) if module_style in ('old', 'non_native_want_json', 'binary'): return b_module_data, module_style, shebang output = BytesIO() py_module_names = set() if module_substyle == 'python': params = dict(ANSIBLE_MODULE_ARGS=module_args,) python_repred_params = repr(json.dumps(params)) try: compression_method = getattr(zipfile, module_compression) except AttributeError: display.warning(u'Bad module compression string specified: %s. Using ZIP_STORED (no compression)' % module_compression) compression_method = zipfile.ZIP_STORED lookup_path = os.path.join(C.DEFAULT_LOCAL_TMP, 'ansiballz_cache') cached_module_filename = os.path.join(lookup_path, "%s-%s" % (module_name, module_compression)) zipdata = None # Optimization -- don't lock if the module has already been cached if os.path.exists(cached_module_filename): display.debug('ANSIBALLZ: using cached module: %s' % cached_module_filename) zipdata = open(cached_module_filename, 'rb').read() else: if module_name in action_write_locks.action_write_locks: display.debug('ANSIBALLZ: Using lock for %s' % module_name) lock = action_write_locks.action_write_locks[module_name] else: # If the action plugin directly invokes the module (instead of # going through a strategy) then we don't have a cross-process # Lock specifically for this module. Use the "unexpected # module" lock instead display.debug('ANSIBALLZ: Using generic lock for %s' % module_name) lock = action_write_locks.action_write_locks[None] display.debug('ANSIBALLZ: Acquiring lock') with lock: display.debug('ANSIBALLZ: Lock acquired: %s' % id(lock)) # Check that no other process has created this while we were # waiting for the lock if not os.path.exists(cached_module_filename): display.debug('ANSIBALLZ: Creating module') # Create the module zip data zipoutput = BytesIO() zf = zipfile.ZipFile(zipoutput, mode='w', compression=compression_method) # Note: If we need to import from release.py first, # remember to catch all exceptions: https://github.com/ansible/ansible/issues/16523 zf.writestr('ansible/__init__.py', b'from pkgutil import extend_path\n__path__=extend_path(__path__,__name__)\n__version__="' + to_bytes(__version__) + b'"\n__author__="' + to_bytes(__author__) + b'"\n') zf.writestr('ansible/module_utils/__init__.py', b'from pkgutil import extend_path\n__path__=extend_path(__path__,__name__)\n') zf.writestr('ansible_module_%s.py' % module_name, b_module_data) py_module_cache = { ('__init__',): (b'', '[builtin]') } recursive_finder(module_name, b_module_data, py_module_names, py_module_cache, zf) zf.close() zipdata = base64.b64encode(zipoutput.getvalue()) # Write the assembled module to a temp file (write to temp # so that no one looking for the file reads a partially # written file) if not os.path.exists(lookup_path): # Note -- if we have a global function to setup, that would # be a better place to run this os.makedirs(lookup_path) display.debug('ANSIBALLZ: Writing module') with open(cached_module_filename + '-part', 'wb') as f: f.write(zipdata) # Rename the file into its final position in the cache so # future users of this module can read it off the # filesystem instead of constructing from scratch. display.debug('ANSIBALLZ: Renaming module') os.rename(cached_module_filename + '-part', cached_module_filename) display.debug('ANSIBALLZ: Done creating module') if zipdata is None: display.debug('ANSIBALLZ: Reading module after lock') # Another process wrote the file while we were waiting for # the write lock. Go ahead and read the data from disk # instead of re-creating it. try: zipdata = open(cached_module_filename, 'rb').read() except IOError: raise AnsibleError('A different worker process failed to create module file.' ' Look at traceback for that process for debugging information.') zipdata = to_text(zipdata, errors='surrogate_or_strict') shebang, interpreter = _get_shebang(u'/usr/bin/python', task_vars) if shebang is None: shebang = u'#!/usr/bin/python' # Enclose the parts of the interpreter in quotes because we're # substituting it into the template as a Python string interpreter_parts = interpreter.split(u' ') interpreter = u"'{0}'".format(u"', '".join(interpreter_parts)) now=datetime.datetime.utcnow() output.write(to_bytes(ACTIVE_ANSIBALLZ_TEMPLATE % dict( zipdata=zipdata, ansible_module=module_name, params=python_repred_params, shebang=shebang, interpreter=interpreter, coding=ENCODING_STRING, year=now.year, month=now.month, day=now.day, hour=now.hour, minute=now.minute, second=now.second, ))) b_module_data = output.getvalue() elif module_substyle == 'powershell': # Powershell/winrm don't actually make use of shebang so we can # safely set this here. If we let the fallback code handle this # it can fail in the presence of the UTF8 BOM commonly added by # Windows text editors shebang = u'#!powershell' # powershell wrapper build is currently handled in build_windows_module_payload, called in action # _configure_module after this function returns. elif module_substyle == 'jsonargs': module_args_json = to_bytes(json.dumps(module_args)) # these strings could be included in a third-party module but # officially they were included in the 'basic' snippet for new-style # python modules (which has been replaced with something else in # ansiballz) If we remove them from jsonargs-style module replacer # then we can remove them everywhere. python_repred_args = to_bytes(repr(module_args_json)) b_module_data = b_module_data.replace(REPLACER_VERSION, to_bytes(repr(__version__))) b_module_data = b_module_data.replace(REPLACER_COMPLEX, python_repred_args) b_module_data = b_module_data.replace(REPLACER_SELINUX, to_bytes(','.join(C.DEFAULT_SELINUX_SPECIAL_FS))) # The main event -- substitute the JSON args string into the module b_module_data = b_module_data.replace(REPLACER_JSONARGS, module_args_json) facility = b'syslog.' + to_bytes(task_vars.get('ansible_syslog_facility', C.DEFAULT_SYSLOG_FACILITY), errors='surrogate_or_strict') b_module_data = b_module_data.replace(b'syslog.LOG_USER', facility) return (b_module_data, module_style, shebang) def modify_module(module_name, module_path, module_args, task_vars=dict(), module_compression='ZIP_STORED'): """ Used to insert chunks of code into modules before transfer rather than doing regular python imports. This allows for more efficient transfer in a non-bootstrapping scenario by not moving extra files over the wire and also takes care of embedding arguments in the transferred modules. This version is done in such a way that local imports can still be used in the module code, so IDEs don't have to be aware of what is going on. Example: from ansible.module_utils.basic import * ... will result in the insertion of basic.py into the module from the module_utils/ directory in the source tree. For powershell, this code effectively no-ops, as the exec wrapper requires access to a number of properties not available here. """ with open(module_path, 'rb') as f: # read in the module source b_module_data = f.read() (b_module_data, module_style, shebang) = _find_module_utils(module_name, b_module_data, module_path, module_args, task_vars, module_compression) if module_style == 'binary': return (b_module_data, module_style, to_text(shebang, nonstring='passthru')) elif shebang is None: lines = b_module_data.split(b"\n", 1) if lines[0].startswith(b"#!"): shebang = lines[0].strip() args = shlex.split(str(shebang[2:])) interpreter = args[0] interpreter = to_bytes(interpreter) new_shebang = to_bytes(_get_shebang(interpreter, task_vars, args[1:])[0], errors='surrogate_or_strict', nonstring='passthru') if new_shebang: lines[0] = shebang = new_shebang if os.path.basename(interpreter).startswith(b'python'): lines.insert(1, to_bytes(ENCODING_STRING)) else: # No shebang, assume a binary module? pass b_module_data = b"\n".join(lines) else: shebang = to_bytes(shebang, errors='surrogate_or_strict') return (b_module_data, module_style, to_text(shebang, nonstring='passthru')) def build_windows_module_payload(module_name, module_path, b_module_data, module_args, task_vars, task, play_context, environment): exec_manifest = dict( module_entry=to_text(base64.b64encode(b_module_data)), powershell_modules=dict(), module_args=module_args, actions=['exec'], environment=environment ) exec_manifest['exec'] = to_text(base64.b64encode(to_bytes(leaf_exec))) if task.async > 0: exec_manifest["actions"].insert(0, 'async_watchdog') exec_manifest["async_watchdog"] = to_text(base64.b64encode(to_bytes(async_watchdog))) exec_manifest["actions"].insert(0, 'async_wrapper') exec_manifest["async_wrapper"] = to_text(base64.b64encode(to_bytes(async_wrapper))) exec_manifest["async_jid"] = str(random.randint(0, 999999999999)) exec_manifest["async_timeout_sec"] = task.async if play_context.become and play_context.become_method=='runas': exec_manifest["actions"].insert(0, 'become') exec_manifest["become_user"] = play_context.become_user exec_manifest["become_password"] = play_context.become_pass exec_manifest["become"] = to_text(base64.b64encode(to_bytes(become_wrapper))) lines = b_module_data.split(b'\n') module_names = set() requires_module_list = re.compile(r'(?i)^#requires \-module(?:s?) (.+)') for line in lines: # legacy, equivalent to #Requires -Modules powershell if REPLACER_WINDOWS in line: module_names.add(b'powershell') # TODO: add #Requires checks for Ansible.ModuleUtils.X for m in module_names: m = to_text(m) exec_manifest["powershell_modules"][m] = to_text( base64.b64encode( to_bytes( _slurp(os.path.join(_MODULE_UTILS_PATH, m + ".ps1")) ) ) ) # FUTURE: smuggle this back as a dict instead of serializing here; the connection plugin may need to modify it b_module_data = json.dumps(exec_manifest) return b_module_data
andreaso/ansible
lib/ansible/executor/module_common.py
Python
gpl-3.0
39,245
[ "VisIt" ]
25e0978e47ab59110de44faba64f1668695bcdfb5cfad02fe05b67d23af7f702
# # ---------------------------------------------------------------------------------------------------- # # Copyright (c) 2016, Oracle and/or its affiliates. All rights reserved. # DO NOT ALTER OR REMOVE COPYRIGHT NOTICES OR THIS FILE HEADER. # # This code is free software; you can redistribute it and/or modify it # under the terms of the GNU General Public License version 2 only, as # published by the Free Software Foundation. # # This code is distributed in the hope that it will be useful, but WITHOUT # ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or # FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License # version 2 for more details (a copy is included in the LICENSE file that # accompanied this code). # # You should have received a copy of the GNU General Public License version # 2 along with this work; if not, write to the Free Software Foundation, # Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. # # Please contact Oracle, 500 Oracle Parkway, Redwood Shores, CA 94065 USA # or visit www.oracle.com if you need additional information or have any # questions. # # ---------------------------------------------------------------------------------------------------- from __future__ import print_function import os import re import pickle import shutil import mx_javacompliance from os.path import join, exists, dirname, basename, isdir, islink from collections import defaultdict from zipfile import ZipFile import mx # Temporary imports and (re)definitions while porting mx from Python 2 to Python 3 import sys import itertools if sys.version_info[0] < 3: from StringIO import StringIO else: from io import StringIO class JavaModuleDescriptor(mx.Comparable): """ Describes a Java module. This class closely mirrors ``java.lang.module.ModuleDescriptor``. :param str name: the name of the module :param dict exports: dict from a package defined by this module to the modules it's exported to. An empty list denotes an unqualified export. :param dict requires: dict from a module dependency to the modifiers of the dependency :param dict concealedRequires: dict from a module dependency to its concealed packages required by this module :param set uses: the service types used by this module :param dict provides: dict from a service name to the set of providers of the service defined by this module :param iterable packages: the packages defined by this module :param set conceals: the packages defined but not exported to anyone by this module :param str jarpath: path to module jar file :param JARDistribution dist: distribution from which this module was derived :param Library lib: library from which this module was derived :param list modulepath: list of `JavaModuleDescriptor` objects for the module dependencies of this module :param dict alternatives: name to JavaModuleDescriptor for alternative definitions of the module. If this is an alternative itself, then the dict has a single entry mapping its alternative name to None. :param bool boot: specifies if this module is in the boot layer :param JDKConfig jdk: the JDK containing this module """ def __init__(self, name, exports, requires, uses, provides, packages=None, concealedRequires=None, jarpath=None, dist=None, lib=None, modulepath=None, alternatives=None, boot=False, jdk=None, opens=None): self.name = name self.exports = exports self.requires = requires self.concealedRequires = concealedRequires if concealedRequires else {} self.uses = frozenset(uses) self.opens = opens if opens else {} self.provides = provides exportedPackages = frozenset(exports.keys()) self.packages = exportedPackages if packages is None else frozenset(packages) assert len(exports) == 0 or exportedPackages.issubset(self.packages), exportedPackages - self.packages self.conceals = self.packages - exportedPackages self.jarpath = jarpath self.dist = dist self.lib = lib self.modulepath = modulepath self.alternatives = alternatives self.boot = boot self.jdk = jdk if not self.dist and not self.jarpath and not self.jdk: mx.abort('JavaModuleDescriptor requires at least one of the "dist", "jarpath" or "jdk" attributes: ' + self.name) def __str__(self): return 'module:' + self.name def __repr__(self): return self.__str__() def __cmp__(self, other): assert isinstance(other, JavaModuleDescriptor) return (self.name > other.name) - (self.name < other.name) def __hash__(self): return hash(self.name) def __eq__(self, other): return isinstance(other, JavaModuleDescriptor) and self.name == other.name def get_jmod_path(self, respect_stripping=True, alt_module_info_name=None): """ Gets the path to the .jmod file corresponding to this module descriptor. :param bool respect_stripping: Specifies whether or not to return a path to a stripped .jmod file if this module is based on a dist """ if respect_stripping and self.dist is not None: assert alt_module_info_name is None, 'alternate modules not supported for stripped dist ' + self.dist.name return join(dirname(self.dist.path), self.name + '.jmod') if self.dist is not None: qualifier = '_' + alt_module_info_name if alt_module_info_name else '' return join(dirname(self.dist.original_path()), self.name + qualifier + '.jmod') if self.jarpath: return join(dirname(self.jarpath), self.name + '.jmod') assert self.jdk, self.name p = join(self.jdk.home, 'jmods', self.name + '.jmod') assert exists(p), p return p @staticmethod def load(dist, jdk, fatalIfNotCreated=True, pickled_path=None): """ Unpickles the module descriptor corresponding to a given distribution. :param str dist: the distribution for which to read the pickled object :param JDKConfig jdk: used to resolve pickled references to JDK modules :param bool fatalIfNotCreated: specifies whether to abort if a descriptor has not been created yet """ if not pickled_path: _, pickled_path, _ = get_java_module_info(dist, fatalIfNotModule=True) # pylint: disable=unpacking-non-sequence if not exists(pickled_path): if fatalIfNotCreated: mx.abort(pickled_path + ' does not exist') else: return None with open(pickled_path, 'rb') as fp: jmd = pickle.load(fp) jdkmodules = {m.name: m for m in jdk.get_modules()} resolved = [] for name in jmd.modulepath: if name.startswith('dist:'): distName = name[len('dist:'):] resolved.append(as_java_module(mx.distribution(distName), jdk)) elif name.startswith('lib:'): libName = name[len('lib:'):] resolved.append(get_library_as_module(mx.dependency(libName), jdk)) else: resolved.append(jdkmodules[name]) jmd.modulepath = resolved jmd.dist = mx.distribution(jmd.dist) if jmd.alternatives: alternatives = {} for alt_name, value in jmd.alternatives.items(): if value is not None: alt_pickled_path = JavaModuleDescriptor._get_alt_pickled_path(pickled_path, alt_name) value = JavaModuleDescriptor.load(dist, jdk, fatalIfNotCreated=fatalIfNotCreated, pickled_path=alt_pickled_path) alternatives[alt_name] = value jmd.alternatives = alternatives if not os.path.isabs(jmd.jarpath): jmd.jarpath = join(dirname(pickled_path), jmd.jarpath) return jmd def _get_alternative_name(self): if self.alternatives and len(self.alternatives) == 1: alt_name, jmd = next(iter(self.alternatives.items())) if jmd is None: return alt_name return None @staticmethod def _get_alt_pickled_path(pickled_path, alt_name): assert pickled_path.endswith('.jar.pickled') return pickled_path[:-len('.jar.pickled')] + '-' + alt_name + '.jar.pickled' def save(self): """ Pickles this module descriptor to a file if it corresponds to a distribution. Otherwise, does nothing. :return: the path to which this module descriptor was pickled or None """ dist = self.dist if not dist: # Don't pickle a JDK module return None _, pickled_path, _ = get_java_module_info(dist, fatalIfNotModule=True) # pylint: disable=unpacking-non-sequence assert pickled_path.endswith('.pickled') alt_name = self._get_alternative_name() if alt_name: pickled_path = JavaModuleDescriptor._get_alt_pickled_path(pickled_path, alt_name) modulepath = self.modulepath jarpath = self.jarpath alternatives = self.alternatives self.modulepath = [] for m in modulepath: if m.dist: pickled_name = 'dist:' + m.dist.name elif m.lib: pickled_name = 'lib:' + m.lib.suite.name + ':' + m.lib.name else: pickled_name = m.name self.modulepath.append(pickled_name) self.dist = dist.name self.jarpath = os.path.relpath(jarpath, dirname(pickled_path)) if self.alternatives: self.alternatives = {alt_name : None if v is None else alt_name for alt_name, v in self.alternatives.items()} try: with mx.SafeFileCreation(pickled_path) as sfc, open(sfc.tmpPath, 'wb') as f: pickle.dump(self, f) finally: # Restore fields that were modified for pickling self.modulepath = modulepath self.dist = dist self.jarpath = jarpath self.alternatives = alternatives def as_module_info(self, extras_as_comments=True): """ Gets this module descriptor expressed as the contents of a ``module-info.java`` file. :param bool extras_as_comments: whether to emit comments documenting attributes not supported by the module-info.java format """ out = StringIO() print('module ' + self.name + ' {', file=out) for dependency, modifiers in sorted(self.requires.items()): modifiers_string = (' '.join(sorted(modifiers)) + ' ') if len(modifiers) != 0 else '' print(' requires ' + modifiers_string + dependency + ';', file=out) for source, targets in sorted(self.exports.items()): targets_string = (' to ' + ', '.join(sorted(targets))) if len(targets) != 0 else '' print(' exports ' + source + targets_string + ';', file=out) for use in sorted(self.uses): print(' uses ' + use + ';', file=out) for opens in sorted(self.opens): print(' opens ' + opens + ';', file=out) for service, providers in sorted(self.provides.items()): print(' provides ' + service + ' with ' + ', '.join((p for p in providers)) + ';', file=out) if extras_as_comments: for pkg in sorted(self.conceals): print(' // conceals: ' + pkg, file=out) if self.jarpath: print(' // jarpath: ' + self.jarpath.replace('\\', '\\\\'), file=out) if self.dist: print(' // dist: ' + self.dist.name, file=out) if self.modulepath: print(' // modulepath: ' + ', '.join([jmd.name for jmd in self.modulepath]), file=out) if self.concealedRequires: for dependency, packages in sorted(self.concealedRequires.items()): for package in sorted(packages): print(' // concealed-requires: ' + dependency + '/' + package, file=out) print('}', file=out) return out.getvalue() def get_package_visibility(self, package, importer): """ Gets the visibility of `package` in this module. :param str package: a package name :param str importer: the name of the module importing the package (use "<unnamed>" or None for the unnamed module) :return: if `package` is in this module, then return 'concealed' or 'exported' depending on the visibility of the package with respect to `importer` otherwise return None """ targets = self.exports.get(package, None) if targets is not None: if len(targets) == 0 or importer in targets: return 'exported' return 'concealed' elif package in self.conceals: return 'concealed' def collect_required_exports(self, required_exports): """ Adds required exports information that is needed to use this module to `required_exports`. :param defaultdict(set) required_exports: dict where required exports information of this module should be added """ concealedRequires = self.concealedRequires for module_name, packages in concealedRequires.items(): for package_name in packages: required_exports[(module_name, package_name)].add(self) def lookup_package(modulepath, package, importer): """ Searches `modulepath` for the module defining `package`. :param list modulepath: an iterable of `JavaModuleDescriptors` :param str package: a package name :param str importer: the name of the module importing the package (use "<unnamed>" or None for the unnamed module) :return: if the package is found, then a tuple containing the defining module and a value of 'concealed' or 'exported' denoting the visibility of the package. Otherwise (None, None) is returned. """ for jmd in modulepath: visibility = jmd.get_package_visibility(package, importer) if visibility is not None: return jmd, visibility return (None, None) def get_module_deps(dist): """ Gets the JAR distributions and their constituent Java projects whose artifacts (i.e., class files and resources) are the input to the Java module jar created by `make_java_module` for a given distribution. :return: the set of `JARDistribution` objects and their constituent `JavaProject` transitive dependencies denoted by the ``moduledeps`` attribute """ if dist.suite.getMxCompatibility().moduleDepsEqualDistDeps(): return dist.archived_deps() if not hasattr(dist, '.module_deps'): roots = getattr(dist, 'moduledeps', []) if not roots: return roots for root in roots: if not root.isJARDistribution(): mx.abort('moduledeps can only include JAR distributions: {}\n' 'Try updating to mxversion >= 5.34.4 where `moduledeps` is not needed.'.format(root), context=dist) moduledeps = [] def _visit(dep, edges): if dep is not dist: if dep.isJavaProject() or dep.isJARDistribution(): if dep not in moduledeps: moduledeps.append(dep) else: mx.abort('modules can only include JAR distributions and Java projects: {}\n' 'Try updating to mxversion >= 5.34.4 where `moduledeps` is not needed.'.format(dep), context=dist) def _preVisit(dst, edge): return not dst.isJreLibrary() and not dst.isJdkLibrary() mx.walk_deps(roots, preVisit=_preVisit, visit=_visit) setattr(dist, '.module_deps', moduledeps) return getattr(dist, '.module_deps') def as_java_module(dist, jdk, fatalIfNotCreated=True): """ Gets the Java module created from a given distribution. :param JARDistribution dist: a distribution that defines a Java module :param JDKConfig jdk: a JDK with a version >= 9 that can be used to resolve references to JDK modules :param bool fatalIfNotCreated: specifies whether to abort if a descriptor has not been created yet :return: the descriptor for the module :rtype: `JavaModuleDescriptor` """ if not hasattr(dist, '.javaModule'): jmd = JavaModuleDescriptor.load(dist, jdk, fatalIfNotCreated) if jmd: setattr(dist, '.javaModule', jmd) return jmd return getattr(dist, '.javaModule') def get_module_name(dist): """ Gets the name of the module defined by `dist`. """ if dist.suite.getMxCompatibility().moduleDepsEqualDistDeps(): module_name = getattr(dist, 'moduleName', None) mi = getattr(dist, 'moduleInfo', None) if mi is not None: if module_name: mx.abort('The "moduleName" and "moduleInfo" attributes are mutually exclusive', context=dist) module_name = mi.get('name', None) if module_name is None: mx.abort('The "moduleInfo" attribute requires either a "name" sub-attribute', context=dist) elif module_name is not None and len(module_name) == 0: mx.abort('"moduleName" attribute cannot be empty', context=dist) else: if not get_module_deps(dist): return None module_name = dist.name.replace('_', '.').lower() return module_name def get_java_module_info(dist, fatalIfNotModule=False): """ Gets the metadata for the module derived from `dist`. :param JARDistribution dist: a distribution possibly defining a module :param bool fatalIfNotModule: specifies whether to abort if `dist` does not define a module :return: None if `dist` does not define a module otherwise a tuple containing the name of the module, the descriptor pickle path, and finally the path to the (unstripped) modular jar file """ if not dist.isJARDistribution(): if fatalIfNotModule: mx.abort('Distribution ' + dist.name + ' is not a JARDistribution') return None module_name = get_module_name(dist) if not module_name: if fatalIfNotModule: mx.abort('Distribution ' + dist.name + ' does not define a module') return None return module_name, dist.original_path() + '.pickled', dist.original_path() def get_library_as_module(dep, jdk): """ Converts a (modular or non-modular) jar library to a module descriptor. :param Library dep: a library dependency :param JDKConfig jdk: a JDK with a version >= 9 that can be used to describe the module :return: a module descriptor """ assert dep.isLibrary() def is_valid_module_name(name): identRE = re.compile(r"^[A-Za-z][A-Za-z0-9]*$") return all(identRE.match(ident) for ident in name.split('.')) if hasattr(dep, 'moduleName'): moduleName = dep.moduleName else: moduleName = jdk.get_automatic_module_name(dep.path) if not is_valid_module_name(moduleName): mx.abort("Invalid identifier in automatic module name derived for library {}: {} (path: {})".format(dep.name, moduleName, dep.path)) dep.moduleName = moduleName modulesDir = mx.ensure_dir_exists(join(mx.primary_suite().get_output_root(), 'modules')) cache = join(modulesDir, moduleName + '.desc') fullpath = dep.get_path(resolve=True) save = False if not exists(cache) or mx.TimeStampFile(fullpath).isNewerThan(cache) or mx.TimeStampFile(__file__).isNewerThan(cache): out = mx.LinesOutputCapture() err = mx.LinesOutputCapture() rc = mx.run([jdk.java, '--module-path', fullpath, '--describe-module', moduleName], out=out, err=err, nonZeroIsFatal=False) lines = out.lines if rc != 0: mx.abort("java --describe-module {} failed. Please verify the moduleName attribute of {}.\nstdout:\n{}\nstderr:\n{}".format(moduleName, dep.name, "\n".join(lines), "\n".join(err.lines))) save = True else: with open(cache) as fp: lines = fp.read().splitlines() assert lines and lines[0].startswith(moduleName), (dep.name, moduleName, lines) accepted_modifiers = set(['transitive']) requires = {} exports = {} provides = {} opens = {} uses = set() packages = set() for line in lines[1:]: parts = line.strip().split() assert len(parts) >= 2, '>>>'+line+'<<<' if parts[0:2] == ['qualified', 'exports']: parts = parts[1:] a = parts[0] if a == 'requires': module = parts[1] modifiers = parts[2:] requires[module] = set(m for m in modifiers if m in accepted_modifiers) elif a == 'exports': source = parts[1] if len(parts) > 2: assert parts[2] == 'to' targets = parts[3:] else: targets = [] exports[source] = targets elif a == 'uses': uses.update(parts[1:]) elif a == 'opens': opens.update(parts[1:]) elif a == 'contains': packages.update(parts[1:]) elif a == 'provides': assert len(parts) >= 4 and parts[2] == 'with' service = parts[1] providers = parts[3:] provides.setdefault(service, []).extend(providers) else: mx.abort('Cannot parse module descriptor line: ' + str(parts)) packages.update(exports.keys()) if save: try: with open(cache, 'w') as fp: fp.write('\n'.join(lines) + '\n') except IOError as e: mx.warn('Error writing to ' + cache + ': ' + str(e)) os.remove(cache) return JavaModuleDescriptor(moduleName, exports, requires, uses, provides, packages, jarpath=fullpath, opens=opens, lib=dep) _versioned_prefix = 'META-INF/versions/' _special_versioned_prefix = 'META-INF/_versions/' # used for versioned services _versioned_re = re.compile(r'META-INF/_?versions/([1-9][0-9]*)/(.+)') _javamodule_buildlevel = None def make_java_module(dist, jdk, archive, javac_daemon=None, alt_module_info_name=None): """ Creates a Java module from a distribution. This updates the jar (or exploded jar) by adding `module-info` classes. The `META-INF` directory can not be versioned. However, we make an exception here for `META-INF/services`: if different versions should have different service providers, a `META-INF/_versions/<version>/META-INF/services` directory can be used (note the `_` before `versions`). These service provider declarations will be used to build the versioned module-info files and the `META-INF/_versions/<version>` directories will be removed from the archive. This is done using a separate versioning directory so that the JAR can be a valid multi-release JAR before this transformation. input: com/foo/MyProvider.class # JDK 8 or earlier specific provider META-INF/services/com.foo.MyService # Contains: com.foo.MyProvider META-INF/_versions/9/META-INF/services/com.foo.MyService # Contains: com.foo.MyProvider META-INF/versions/9/com/foo/MyProvider.class # JDK 9 and 10 specific provider META-INF/_versions/11/META-INF/services/com.foo.MyService # Contains: provides com.foo.MyService with com.foo.MyProvider META-INF/versions/11/com/foo/MyProvider.class # JDK 11 and later specific provider output: com/foo/MyProvider.class # JDK 8 or earlier specific provider META-INF/services/com.foo.MyService # Contains: com.foo.MyProvider META-INF/versions/9/module-info.class # Contains: provides com.foo.MyService with com.foo.MyProvider META-INF/versions/9/com/foo/MyProvider.class # JDK 9 and 10 specific provider META-INF/versions/11/module-info.class # Contains: provides com.foo.MyService with com.foo.MyProvider META-INF/versions/11/com/foo/MyProvider.class # JDK 11 and later specific provider :param JARDistribution dist: the distribution from which to create a module :param JDKConfig jdk: a JDK with a version >= 9 that can be used to compile the module-info class :param _Archive archive: info about the jar being converted to a module :param CompilerDaemon javac_daemon: compiler daemon (if not None) to use for compiling module-info.java :param str alt_module_info_name: name of alternative module descriptor in `dist` (in the attribute "moduleInfo:" + `alt_module_info_name`) :return: the `JavaModuleDescriptor` for the latest version of the created Java module """ info = get_java_module_info(dist) if info is None: return None from mx_jardistribution import _FileContentsSupplier, _Archive, _staging_dir_suffix times = [] with mx.Timer('total', times): moduleName, _, module_jar = info # pylint: disable=unpacking-non-sequence exports = {} requires = {} opens = {} concealedRequires = {} base_uses = set() modulepath = list() with mx.Timer('requires', times): if dist.suite.getMxCompatibility().moduleDepsEqualDistDeps(): module_deps = dist.archived_deps() for dep in mx.classpath_entries(dist, includeSelf=False): if dep.isJARDistribution(): jmd = as_java_module(dep, jdk) modulepath.append(jmd) requires[jmd.name] = {jdk.get_transitive_requires_keyword()} elif (dep.isJdkLibrary() or dep.isJreLibrary()) and dep.is_provided_by(jdk): pass elif dep.isLibrary(): jmd = get_library_as_module(dep, jdk) modulepath.append(jmd) requires[jmd.name] = set() else: mx.abort(dist.name + ' cannot depend on ' + dep.name + ' as it does not define a module') else: module_deps = get_module_deps(dist) jdk_modules = list(jdk.get_modules()) java_projects = [d for d in module_deps if d.isJavaProject()] java_libraries = [d for d in module_deps if d.isLibrary()] # Collect packages in the module first with mx.Timer('packages', times): module_packages = set() for project in java_projects: module_packages.update(project.defined_java_packages()) # Collect the required modules denoted by the dependencies of each project entries = mx.classpath_entries(project, includeSelf=False) for e in entries: e_module_name = e.get_declaring_module_name() if e_module_name and e_module_name != moduleName: requires.setdefault(e_module_name, set()) for library in java_libraries: module_packages.update(library.defined_java_packages()) def _parse_packages_spec(packages_spec, available_packages, project_scope): """ Parses a packages specification against a set of available packages: "org.graalvm.foo,org.graalvm.bar" -> set("org.graalvm.foo", "org.graalvm.bar") "<package-info>" -> set of all entries in `available_packages` denoting a package with a package-info.java file "org.graalvm.*" -> set of all entries in `available_packages` that start with "org.graalvm." "org.graalvm.compiler.code" -> set("org.graalvm.compiler.code") :param dict available_packages: map from package names to JavaCompliance values :return dict: entries from `available_packages` selected by `packages_spec` """ if not packages_spec: mx.abort('exports attribute cannot have entry with empty packages specification', context=dist) res = set() for spec in packages_spec.split(','): if spec.endswith('*'): prefix = spec[0:-1] selection = set(p for p in available_packages if p.startswith(prefix)) if not selection: mx.abort('The export package specifier "{}" does not match any of {}'.format(spec, available_packages), context=dist) res.update(selection) elif spec == '<package-info>': if not isinstance(project_scope, mx.Project): mx.abort('The export package specifier "<package-info>" can only be used in a project, not a distribution', context=dist) res.update(mx._find_packages(project_scope, onlyPublic=True)) else: if spec not in module_packages: mx.abort('Cannot export package {0} from {1} as it is not defined by any project in the module {1}'.format(spec, moduleName), context=dist) if project_scope and spec not in available_packages and project_scope.suite.requiredMxVersion >= mx.VersionSpec("5.226.1"): mx.abort('Package {} in "exports" attribute not defined by project {}'.format(spec, project_scope), context=project_scope) res.add(spec) return res def _process_exports(export_specs, available_packages, project_scope=None): unqualified_exports = [] for export in export_specs: if ' to ' in export: splitpackage = export.split(' to ') packages_spec = splitpackage[0].strip() targets = [n.strip() for n in splitpackage[1].split(',')] if not targets: mx.abort('exports attribute must have at least one target for qualified export', context=dist) for p in _parse_packages_spec(packages_spec, available_packages, project_scope): exports.setdefault(p, set()).update(targets) else: unqualified_exports.append(export) for unqualified_export in unqualified_exports: for p in _parse_packages_spec(unqualified_export, available_packages, project_scope): exports[p] = set() module_info = getattr(dist, 'moduleInfo', None) alt_module_info = None if alt_module_info_name is not None: assert not archive.exploded, archive assert isinstance(alt_module_info_name, str) alt_module_info_attr_name = 'moduleInfo:' + alt_module_info_name alt_module_info = getattr(dist, alt_module_info_attr_name, None) if alt_module_info is None or not isinstance(alt_module_info, dict): mx.abort('"{}" attribute must be a dictionary'.format(alt_module_info_attr_name), context=dist) if module_info is None: mx.abort('"{}" attribute found but required "moduleInfo" attribute is missing'.format(alt_module_info_attr_name), context=dist) invalid = [k for k in alt_module_info.keys() if k != 'exports'] if invalid: mx.abort('Sub-attribute(s) "{}" of "{}" attribute not supported. Only "exports" is currently supported.'.format('", "'.join(invalid), alt_module_info_attr_name), context=dist) alt_module_jar = join(dirname(module_jar), basename(module_jar)[:-len('.jar')] + '-' + alt_module_info_name + '.jar') alt_module_src_zip = alt_module_jar[:-len('.jar')] + '.src.zip' module_src_zip = module_jar[:-len('.jar')] + '.src.zip' def replicate(src, dst): """ Replicates `src` at `dst`. If `src` does not exist, `dst` is deleted. If `exploded` is True, `src` is assumed to be a directory and it is deep copied to `dst`, otherwise `src` is assumed to be a normal file and is copied to `dst`. """ if isdir(dst) and not islink(dst): mx.rmtree(dst) elif exists(dst): os.remove(dst) if exists(src): if isdir(src): mx.copytree(src, dst, symlinks=True) else: shutil.copy(src, dst) replicate(module_jar, alt_module_jar) replicate(module_jar + _staging_dir_suffix, alt_module_jar + _staging_dir_suffix) replicate(module_src_zip, alt_module_src_zip) module_jar = alt_module_jar module_jar_staging_dir = module_jar + _staging_dir_suffix alternatives = {alt_module_info_name : None} elif not archive.exploded: alt_module_info_names = [key[len('moduleInfo:'):] for key in dir(dist) if key.startswith('moduleInfo:')] alternatives = { name : make_java_module(dist, jdk, archive, javac_daemon=javac_daemon, alt_module_info_name=name) for name in alt_module_info_names } module_jar_staging_dir = module_jar + _staging_dir_suffix else: alternatives = {} module_jar_staging_dir = module_jar mx.log('Building Java module {} ({}) from {}'.format(moduleName, basename(module_jar), dist.name)) if module_info: for entry in module_info.get("requires", []): parts = entry.split() qualifiers = parts[0:-1] name = parts[-1] requires.setdefault(name, set()).update(qualifiers) base_uses.update(module_info.get('uses', [])) _process_exports((alt_module_info or module_info).get('exports', []), module_packages) opens = module_info.get('opens', {}) requires_concealed = module_info.get('requiresConcealed', None) if requires_concealed is not None: parse_requiresConcealed_attribute(jdk, requires_concealed, concealedRequires, None, dist, modulepath) enhanced_module_usage_info = dist.suite.getMxCompatibility().enhanced_module_usage_info() with mx.Timer('projects', times): for project in java_projects: base_uses.update(getattr(project, 'uses', [])) for m in getattr(project, 'runtimeDeps', []): requires.setdefault(m, set()).add('static') if not enhanced_module_usage_info: # In the absence of "requiresConcealed" and "requires" attributes, the import statements # in the Java sources need to be scanned to determine what modules are # required and what concealed packages are used. allmodules = modulepath + jdk_modules for pkg in itertools.chain(project.imported_java_packages(projectDepsOnly=False), getattr(project, 'imports', [])): # Only consider packages not defined by the module we're creating. This handles the # case where we're creating a module that will upgrade an existing upgradeable # module in the JDK such as jdk.internal.vm.compiler. if pkg not in module_packages: module, visibility = lookup_package(allmodules, pkg, moduleName) if module and module.name != moduleName: requires.setdefault(module.name, set()) if visibility != 'exported': assert visibility == 'concealed' concealedRequires.setdefault(module.name, set()).add(pkg) else: for module, packages in project.get_concealed_imported_packages(jdk).items(): concealedRequires.setdefault(module, set()).update(packages) for module in getattr(project, 'requires', []): requires.setdefault(module, set()) if not module_info: # If neither an "exports" nor distribution-level "moduleInfo" attribute is present, # all packages are exported. default_exported_java_packages = [] if module_info else project.defined_java_packages() _process_exports(getattr(project, 'exports', default_exported_java_packages), project.defined_java_packages(), project) if enhanced_module_usage_info: with mx.Timer('libraries', times): for library in java_libraries: base_uses.update(getattr(library, 'uses', [])) for m in getattr(library, 'runtimeDeps', []): requires.setdefault(m, set()).add('static') requires_concealed = getattr(library, 'requiresConcealed', None) if requires_concealed is not None: concealed = {} parse_requiresConcealed_attribute(jdk, requires_concealed, concealed, None, library) for module, packages in concealed.items(): concealedRequires.setdefault(module, set()).update(packages) for module in getattr(library, 'requires', []): requires.setdefault(module, set()) if hasattr(library, 'exports'): _process_exports(getattr(library, 'exports'), library.defined_java_packages(), library) if not module_info: mx.warn("Module {} re-packages library {} but doesn't have a `moduleInfo` attribute. Note that library packages are not auto-exported") build_directory = mx.ensure_dir_exists(module_jar + ".build") try: files_to_remove = set() # To compile module-info.java, all classes it references must either be given # as Java source files or already exist as class files in the output directory. # This is due to the constraint that all the classes in a module must be in # a single directory (or jar). # As such, the jar file for each constituent distribution must be unpacked # in the output directory. # Set of ints representing version numbers versions = set() # List of 4-tuples representing a versioned resource: # str arcname: name of resource within its archive # _ArchiveEntry entry: describes the contents of the resource # int version: earliest Java version in which resource is valid # str unversioned_name: name of the resource in a version-flattened archive versioned = [] # List of 2-tuples representing a versioned resource: # str arcname: name of resource within its archive # _ArchiveEntry entry: describes the contents of the resource unversioned = [] for arcname, entry in archive.entries.items(): m = _versioned_re.match(arcname) if m: version = int(m.group(1)) versions.add(version) if version > jdk.javaCompliance.value: # Ignore resource whose version is too high continue unversioned_name = m.group(2) if not archive.exploded: if unversioned_name.startswith('META-INF/services/'): files_to_remove.add(arcname) elif unversioned_name.startswith('META-INF/'): mx.abort("META-INF resources can not be versioned and will make modules fail to load ({}).".format(arcname)) versioned.append((arcname, entry, version, unversioned_name)) else: unversioned.append((arcname, entry)) if archive.exploded: jmod_version = None all_versions = [str(jdk.javaCompliance.value)] else: # Ensure that created .jmod is compatible with the default JDK default_jdk = mx.get_jdk(tag=mx.DEFAULT_JDK_TAG) try: jmod_version = str(max(v for v in versions if v <= default_jdk.javaCompliance.value)) except ValueError: jmod_version = None if default_jdk.javaCompliance < '9' else 'common' # Sort versions in increasing order as expected by the rest of the code all_versions = [str(v) for v in sorted(versions)] if '9' not in all_versions: # 9 is the first version that supports modules and can be versioned in the JAR: # if there is no `META-INF/versions/9` then we should add a `module-info.class` # to the root of the JAR so that the module works on JDK 9. all_versions = ['common'] + all_versions assert jmod_version is None or jmod_version in all_versions for version in all_versions: restore_files = {} with mx.Timer('jmd@' + version, times): uses = base_uses.copy() provides = {} int_version = int(version) if version != 'common' else -1 # Modify staging directory in-situ dest_dir = module_jar_staging_dir if not archive.exploded: def create_missing_dirs(path): if not exists(path): create_missing_dirs(dirname(path)) os.mkdir(path) _Archive.create_jdk_8268216(path) def sync_file(src, dst, restore_files): """ Ensures that `dst` points at or contains the same contents as `src`. :param dict restore_files: map from `dst` to a callable that will restore its original content or to None should `dst` be deleted once the module-info.class has been produced """ while islink(src): src = os.readlink(src) if not mx.can_symlink(): mx.ensure_dir_exists(dirname(dst)) if exists(dst): restore_files[dst] = _FileContentsSupplier(dst, eager=True).restore os.remove(dst) else: restore_files[dst] = None shutil.copy(src, dst) else: if exists(dst): if islink(dst): target = os.readlink(dst) if target == src: return if mx.is_windows() and target.startswith('\\\\?\\') and target[4:] == src: # os.readlink was changed in python 3.8 to include a \\?\ prefix on Windows return restore_files[dst] = lambda: os.symlink(target, dst) else: restore_files[dst] = _FileContentsSupplier(dst, eager=True).restore os.remove(dst) else: restore_files[dst] = None create_missing_dirs(dirname(dst)) os.symlink(src, dst) # Put versioned resources into their non-versioned locations for arcname, entry, entry_version, unversioned_name in versioned: if entry_version > int_version: continue if arcname.startswith(_special_versioned_prefix): if not unversioned_name.startswith('META-INF/services'): raise mx.abort("The special versioned directory ({}) is only supported for META-INF/services files. Got {}".format(_special_versioned_prefix, name)) if unversioned_name: dst = join(dest_dir, unversioned_name) sync_file(entry.staged, dst, restore_files) services_dir = join(dest_dir, 'META-INF', 'services') if exists(services_dir): for servicePathName in os.listdir(services_dir): if servicePathName == _Archive.jdk_8268216: continue # While a META-INF provider configuration file must use a fully qualified binary # name[1] of the service, a provides directive in a module descriptor must use # the fully qualified non-binary name[2] of the service. # # [1] https://docs.oracle.com/javase/9/docs/api/java/util/ServiceLoader.html # [2] https://docs.oracle.com/javase/9/docs/api/java/lang/module/ModuleDescriptor.Provides.html#service-- service = servicePathName.replace('$', '.') assert '/' not in service with open(join(services_dir, servicePathName)) as fp: serviceContent = fp.read() provides.setdefault(service, set()).update(provider.replace('$', '.') for provider in serviceContent.splitlines()) # Service types defined in the module are assumed to be used by the module serviceClassfile = service.replace('.', '/') + '.class' if exists(join(dest_dir, serviceClassfile)): uses.add(service) def exported_package_exists(p): package_exists = exists(join(dest_dir, p.replace('.', os.sep))) if not package_exists and dist.suite.getMxCompatibility().enforce_spec_compliant_exports(): pp = [proj for proj in java_projects if p in proj.defined_java_packages()][0] dist.abort('Modular multi-release JARs cannot export packages defined only by versioned projects: ' '{} is defined by {} with multiReleaseJarVersion={}'.format(p, pp, pp.multiReleaseJarVersion)) return package_exists # Exports of modular multi-release JARs must be exactly the same in all versions, # but for backward compatibility we tolerate version-specific exports. exports_clean = {p: exports[p] for p in exports if exported_package_exists(p)} requires_clean = {} for required_module_spec, requires_directives in requires.items(): if '@' in required_module_spec: module_name, java_compliance = required_module_spec.split('@', 1) module_java_compliance = mx_javacompliance.JavaCompliance(java_compliance) if module_java_compliance not in jdk.javaCompliance: continue else: module_name = required_module_spec requires_clean[module_name] = requires_directives jmd = JavaModuleDescriptor(moduleName, exports_clean, requires_clean, uses, provides, packages=module_packages, concealedRequires=concealedRequires, jarpath=module_jar, dist=dist, modulepath=modulepath, alternatives=alternatives, opens=opens) # Compile module-info.class module_info_java = join(dest_dir, 'module-info.java') with open(module_info_java, 'w') as fp: print(jmd.as_module_info(), file=fp) with mx.Timer('compile@' + version, times): def safe_path_arg(p): r""" Return `p` with all `\` characters replaced with `\\`, all spaces replaced with `\ ` and the result enclosed in double quotes. """ return '"{}"'.format(p.replace('\\', '\\\\').replace(' ', '\\ ')) javac_args = ['-d', safe_path_arg(dest_dir)] modulepath_jars = [m.jarpath for m in modulepath if m.jarpath] # TODO we should rather use the right JDK javac_args += ['-target', version if version != 'common' else '9', '-source', version if version != 'common' else '9'] # The --system=none and --limit-modules options are used to support distribution defined modules # that override non-upgradeable modules in the source JDK (e.g. org.graalvm.sdk is part of a # GraalVM JDK). This means --module-path needs to contain the jmods for the JDK modules. javac_args.append('--system=none') if requires_clean: javac_args.append('--limit-modules=' + ','.join(requires_clean.keys())) jdk_jmods = (mx.get_opts().jmods_dir or join(jdk.home, 'jmods')) if not exists(jdk_jmods): mx.abort('Missing directory containing JMOD files: ' + jdk_jmods) modulepath_jars.extend((join(jdk_jmods, m) for m in os.listdir(jdk_jmods) if m.endswith('.jmod'))) javac_args.append('--module-path=' + safe_path_arg(os.pathsep.join(modulepath_jars))) if concealedRequires: for module, packages in concealedRequires.items(): for package in packages: javac_args.append('--add-exports=' + module + '/' + package + '=' + moduleName) # https://blogs.oracle.com/darcy/new-javac-warning-for-setting-an-older-source-without-bootclasspath # Disable the "bootstrap class path not set in conjunction with -source N" warning # as we're relying on the Java compliance of project to correctly specify a JDK range # providing the API required by the project. Also disable the warning about unknown # modules in qualified exports (not sure how to avoid these since we build modules # separately). javac_args.append('-Xlint:-options,-module') javac_args.append(safe_path_arg(module_info_java)) # Convert javac args to @args file javac_args_file = mx._derived_path(dest_dir, '.javac_args') with open(javac_args_file, 'w') as fp: fp.write(os.linesep.join(javac_args)) javac_args = ['@' + javac_args_file] if javac_daemon: javac_daemon.compile(javac_args) else: mx.run([jdk.javac] + javac_args, cmdlinefile=dest_dir + '.cmdline') # Create .jmod for module if version == jmod_version: assert not archive.exploded class HideDirectory(object): def __init__(self, dirpath): self.dirpath = dirpath self.tmp_dirpath = None def __enter__(self): if exists(self.dirpath): self.tmp_dirpath = join(build_directory, '{}_{}.{}'.format(version, basename(self.dirpath), os.getpid())) os.rename(self.dirpath, self.tmp_dirpath) def __exit__(self, exc_type, exc_value, traceback): if self.tmp_dirpath: os.rename(self.tmp_dirpath, self.dirpath) # Temporarily move META-INF/services and META-INF/versions out of dest_dir # so that they do not end up in the jmod. with HideDirectory(join(dest_dir, 'META-INF', 'services')), HideDirectory(join(dest_dir, 'META-INF', 'versions')): jmod_path = jmd.get_jmod_path(respect_stripping=False, alt_module_info_name=alt_module_info_name) if exists(jmod_path): os.remove(jmod_path) jdk_jmod = join(default_jdk.home, 'jmods', basename(jmod_path)) jmod_args = ['create', '--class-path=' + dest_dir] if not dist.is_stripped(): # There is a ProGuard bug that corrupts the ModuleTarget # attribute of module-info.class. target_os = mx.get_os() target_os = 'macos' if target_os == 'darwin' else target_os target_arch = mx.get_arch() jmod_args.append('--target-platform={}-{}'.format(target_os, target_arch)) if exists(jdk_jmod): with ZipFile(jdk_jmod, 'r') as zf: # Copy commands and legal notices (if any) from JDK version of the module for jmod_dir, jmod_option in (('bin', '--cmds'), ('legal', '--legal-notices')): entries = [name for name in zf.namelist() if name.startswith(jmod_dir + '/')] if entries: extracted_dir = join(dest_dir, jmod_dir) assert not exists(extracted_dir), extracted_dir zf.extractall(dest_dir, entries) entries_dir = mx._derived_path(dest_dir, '.' + jmod_dir) if exists(entries_dir): shutil.rmtree(entries_dir) os.rename(extracted_dir, entries_dir) jmod_args.extend([jmod_option, join(entries_dir)]) mx.run([default_jdk.exe_path('jmod')] + jmod_args + [jmod_path]) with mx.Timer('jar@' + version, times): if not archive.exploded: # Append the module-info.class module_info_arc_dir = '' if version == 'common' else _versioned_prefix + version + '/' with ZipFile(module_jar, 'a') as zf: module_info_class = join(dest_dir, 'module-info.class') arcname = module_info_arc_dir + basename(module_info_class) zf.write(module_info_class, arcname) os.remove(module_info_class) if restore_files: for dst, restore in restore_files.items(): os.remove(dst) if restore is not None: restore() if files_to_remove: with mx.Timer('cleanup', times), mx.SafeFileCreation(module_jar) as sfc: with ZipFile(module_jar, 'r') as inzf, ZipFile(sfc.tmpPath, 'w', inzf.compression) as outzf: for info in inzf.infolist(): if info.filename not in files_to_remove: outzf.writestr(info, inzf.read(info)) finally: if not mx.get_opts().verbose: # Preserve build directory so that javac command can be re-executed # by cutting and pasting verbose output. mx.rmtree(build_directory) jmd.save() mx.logv('[' + moduleName + ' times: ' + ', '.join(['{}={:.3f}s'.format(name, secs) for name, secs in sorted(times, key=lambda pair: pair[1], reverse=True)]) + ']') assert version == (str(max(versions)) if versions else str(jdk.javaCompliance.value) if archive.exploded else 'common') return jmd def get_transitive_closure(roots, observable_modules): """ Gets the transitive closure of the dependencies of a set of root modules (i.e. `roots`) with respect to a set of observable modules (i.e. `observable_modules`) :param iterable roots: the roots modules (JavaModulesDescriptors or module names) for which the transitive closure is being requested :param iterable observable_modules: set of modules in which the transitive dependencies must exist """ name_to_module = {m.name : m for m in observable_modules} transitive_closure = set() def lookup_module(name): m = name_to_module.get(name, None) if m is None: mx.abort('{} is not in the set of observable modules {}'.format(name, list(name_to_module.keys()))) return m def add_transitive(mod): if mod not in transitive_closure: transitive_closure.add(mod) for name in mod.requires.keys(): add_transitive(lookup_module(name)) for root in roots: if isinstance(root, str): root = lookup_module(root) add_transitive(root) return transitive_closure def parse_requiresConcealed_attribute(jdk, value, result, importer, context, modulepath=None): """ Parses the "requiresConcealed" attribute value in `value` and updates `result` which is a dict from module name to set of package names. :param str importer: the name of the module importing the packages ("<unnamed>" or None denotes the unnamed module) :param context: context value to use when reporting errors :return: `result` """ if value is None: return result all_modules = (modulepath or []) + list(jdk.get_modules()) if not isinstance(value, dict): mx.abort('"requiresConcealed" attribute must be a dict', context=context) for module, packages in value.items(): if '@' in module: module, java_compliance = module.split('@', 1) java_compliance = mx_javacompliance.JavaCompliance(java_compliance, context=context) if java_compliance not in jdk.javaCompliance: continue matches = [jmd for jmd in all_modules if jmd.name == module] if not matches: mx.abort('Module {} in "requiresConcealed" attribute does not exist in {}'.format(module, jdk), context=context) jmd = matches[0] package_set = result.setdefault(module, set()) if packages == '*': star = True packages = jmd.packages else: star = False if not isinstance(packages, list): mx.abort('Packages for module {} in "requiresConcealed" attribute must be either "*" or a list of package names'.format(module), context=context) for package in packages: if package.endswith('?'): optional = True package = package[0:-1] else: optional = False visibility = jmd.get_package_visibility(package, importer) if visibility == 'concealed': package_set.add(package) elif visibility == 'exported': if not star: suffix = '' if not importer else ' from module {}'.format(importer) mx.warn('Package {} is not concealed in module {}{}'.format(package, module, suffix), context=context) elif not optional: m, _ = lookup_package(all_modules, package, importer) suffix = '' if not m else ' but in module {}'.format(m.name) mx.abort('Package {} is not defined in module {}{}'.format(package, module, suffix), context=context) return result def requiredExports(distributions, jdk): """ Collects requiredExports information for all passed-in distributions that are modules. The structure of this information is described in the return value documentation. :param distributions: list of Distribution objects that should be looked through for requiredExports information :param JDKConfig jdk: a JDK with a version >= 9 that can be used to compile the module-info class :return: A dictionary with (module_name, package_name) keys and values that are sets of `JavaModuleDescriptors` that require the export described by the given key. For example: ('java.base', 'jdk.internal.module'): set([module:org.graalvm.nativeimage.pointsto, module:org.graalvm.nativeimage.builder]) means that module java.base needs to be updated to export (i.e. --add-exports) jdk.internal.module to the modules org.graalvm.nativeimage.pointsto and org.graalvm.nativeimage.builder. """ def _opt_as_java_module(dist): if not get_java_module_info(dist, fatalIfNotModule=False): return None return as_java_module(dist, jdk, fatalIfNotCreated=False) required_exports = defaultdict(set) for dist in distributions: target_module = _opt_as_java_module(dist) if target_module: target_module.collect_required_exports(required_exports) return required_exports
graalvm/mx
mx_javamodules.py
Python
gpl-2.0
62,825
[ "VisIt" ]
ef3502161090002fc8039a9159b97ad2254a0ec3b53c6bf98f9632208cf3f050
# Setup customisation for gpaw/cuda import os # compiler and linker compiler = 'gcc' mpicompiler = 'mpicc' mpilinker = 'mpicc' extra_compile_args = ['-std=c99'] # libraries libraries = ['z'] # cuda library_dirs += [os.environ['CUDALIB'], './c/cuda'] include_dirs += [os.environ['CUDADIR'] + '/include'] libraries += ['gpaw-cuda', 'cublas', 'cudart', 'stdc++'] # libxc library_dirs += [os.environ['LIBXCDIR'] + '/lib'] include_dirs += [os.environ['LIBXCDIR'] + '/include'] libraries += ['xc'] # GPAW defines define_macros += [('GPAW_NO_UNDERSCORE_CBLACS', '1')] define_macros += [('GPAW_NO_UNDERSCORE_CSCALAPACK', '1')] define_macros += [("GPAW_ASYNC",1)] define_macros += [("GPAW_MPI2",1)] define_macros += [('GPAW_CUDA', '1')] # ScaLAPACK scalapack = True # HDF5 hdf5 = False
mlouhivu/build-recipes
gpaw-bundle/examples/taito-gpu-2017-01/setup/customize-cuda.py
Python
mit
785
[ "GPAW" ]
3657a300ed3ac201de9d5b94f4a8776bb69a73474935b6f9ebcf6d9e0edb81db
from contextlib import closing import os import subprocess import argweaver import argweaver.smc from compbio import arglib def inorder_tree(tree): queue = [("queue", tree.root)] while queue: cmd, node = queue.pop() if cmd == "visit": yield node elif cmd == "queue": if node.is_leaf(): yield node else: queue.extend( [("queue", node.children[1]), ("visit", node), ("queue", node.children[0])]) def layout_tree_leaves(tree, age_func=lambda node: node.age): layout = {} y = 0 for node in inorder_tree(tree): if node.is_leaf(): layout[node.name] = y else: y += (age_func(node) / 1e3) + 1 vals = layout.values() mid = (max(vals) + min(vals)) / 2.0 for k, v in layout.items(): layout[k] = (v - mid) return layout def orient_tree(tree, last_tree, recomb_node): """ Flip nodes in tree to match last_tree. """ order = dict((n, i) for i, n in enumerate(last_tree.leaf_names())) # make all leaves of recomb node have max order for leaf in recomb_node.leaf_names(): order[leaf] = len(order) # flip nodes in tree for node in tree.postorder(): if node.is_leaf(): continue assert len(node.children) == 2 if order[node.children[0].name] > order[node.children[1].name]: node.children = [node.children[1], node.children[0]] order[node.name] = min(order[node.children[0].name], order[node.children[1].name]) # flip node above subtree if needed inorder = dict((n.name, i) for i, n in enumerate(inorder_tree(last_tree))) node = tree[recomb_node.name].parent if inorder[node.children[0].name] > inorder[node.children[1].name]: node.children = [node.children[1], node.children[0]] def iter_layout_smc(smc, names=None): age_func = lambda node: node.data["age"] last_tree = None spr = None for item in smc: if item["tag"] == "NAMES": names = item["names"] if item["tag"] == "SPR": spr = item elif item["tag"] == "TREE": assert names is not None tree = item["tree"] if isinstance(tree, basestring): raise Exception("Trees need to be parsed") block = [item["start"]-1, item["end"]] if last_tree: orient_tree(tree, last_tree, last_tree[spr["recomb_node"]]) layout = layout_tree_leaves(tree, age_func=age_func) layout2 = dict((name, layout[i]) for i, name in enumerate(names)) yield block, layout2 last_tree = tree class ArgLayout(object): """ """ def __init__(self): self.chrom = "chr" self.blocks = [] self.leaf_layout = [] def layout_smc(self, smc): names = smc.header["names"] self.chrom = smc.header["chrom"] self.blocks = [] self.leaf_layout = [] for block, leaf_layout in iter_layout_smc(smc, names=names): self.blocks.append(block) self.leaf_layout.append(leaf_layout) def read(self, filename): self.blocks = [] self.leaf_layout = [] for block, leaf_layout in iter_arg_layout(filename): self.chrom = block[0] self.blocks.append([block[1] - 1, block[2]]) self.leaf_layout.append(leaf_layout) def iter_arg_layout(filename): """ Iterate through an ARG layout file. """ with closing(argweaver.open_stream(filename, compress='bgzip')) as infile: for line in infile: tokens = line.rstrip().split("\t") block = [tokens[0], int(tokens[1]), int(tokens[2])] leaf_layout = {} for i in range(3, len(tokens), 2): leaf_layout[tokens[i]] = float(tokens[i+1]) yield block, leaf_layout def index_arg_layout(filename): subprocess.call(["tabix", "-s", "1", "-b", "2", "-e", "3", "-f", filename]) def query_arg_layout(filename, chrom, start, end): cmd = ["tabix", filename, "%s:%d-%d" % (chrom, start, end)] null = open(os.devnull, 'w') infile = subprocess.Popen(cmd, stdout=subprocess.PIPE, stderr=null).stdout return iter_arg_layout(infile) def layout_arg(arg, start=None, end=None): if start is None: start = arg.start if end is None: end = arg.end tree = arg.get_marginal_tree(start) arglib.remove_single_lineages(tree) last_pos = start blocks = [] leaf_layout = [] layout_func = layout_tree_leaves for spr in arglib.iter_arg_sprs( arg, start=start, end=end, use_leaves=True): blocks.append([last_pos, spr[0]]) leaf_layout.append(layout_func(tree)) inorder = dict((n, i) for i, n in enumerate(inorder_tree(tree))) # determine SPR nodes rnode = arglib.arg_lca(tree, spr[1][0], spr[0]) cnode = arglib.arg_lca(tree, spr[2][0], spr[0]) # determine best side for adding new sister left = (inorder[rnode] < inorder[cnode]) # apply spr arglib.apply_spr(tree, rnode, spr[1][1], cnode, spr[2][1], spr[0]) # adjust sister rindex = rnode.parents[0].children.index(rnode) if left and rindex != 0: rnode.parents[0].children.reverse() last_pos = spr[0] blocks.append([last_pos, end]) leaf_layout.append(layout_func(tree)) return blocks, leaf_layout
mdrasmus/argweaver
argweaver/vis.py
Python
mit
5,663
[ "VisIt" ]
9dd1575bc07bfa9574bae72e6a2f2ec5f7a63696f2264e260529b98df18c6b7a
#!/usr/bin/env python # # Data manager for reference data for the 'humann2' Galaxy tools import json import optparse import os import subprocess import sys # Utility functions for interacting with Galaxy JSON def read_input_json(jsonfile): """Read the JSON supplied from the data manager tool Returns a tuple (param_dict,extra_files_path) 'param_dict' is an arbitrary dictionary of parameters input into the tool; 'extra_files_path' is the path to a directory where output files must be put for the receiving data manager to pick them up. NB the directory pointed to by 'extra_files_path' doesn't exist initially, it is the job of the script to create it if necessary. """ params = json.loads(open(jsonfile).read()) return (params['param_dict'], params['output_data'][0]['extra_files_path']) # Utility functions for creating data table dictionaries # # Example usage: # >>> d = create_data_tables_dict() # >>> add_data_table(d,'my_data') # >>> add_data_table_entry(dict(dbkey='hg19',value='human')) # >>> add_data_table_entry(dict(dbkey='mm9',value='mouse')) # >>> print str(json.dumps(d)) def create_data_tables_dict(): """Return a dictionary for storing data table information Returns a dictionary that can be used with 'add_data_table' and 'add_data_table_entry' to store information about a data table. It can be converted to JSON to be sent back to the data manager. """ d = {} d['data_tables'] = {} return d def add_data_table(d, table): """Add a data table to the data tables dictionary Creates a placeholder for a data table called 'table'. """ d['data_tables'][table] = [] def add_data_table_entry(d, table, entry): """Add an entry to a data table Appends an entry to the data table 'table'. 'entry' should be a dictionary where the keys are the names of columns in the data table. Raises an exception if the named data table doesn't exist. """ try: d['data_tables'][table].append(entry) except KeyError: raise Exception("add_data_table_entry: no table '%s'" % table) def download_metaphlan2_db(data_tables, build, table_name, target_dir): """Download MetaPhlAn2 database Creates references to the specified file(s) on the Galaxy server in the appropriate data table (determined from the file extension). The 'data_tables' dictionary should have been created using the 'create_data_tables_dict' and 'add_data_table' functions. Arguments: data_tables: a dictionary containing the data table info table_name: name of the table target_dir: directory to put copy or link to the data file """ cmd = "download_metaphlan2_db.py --output %s" % (target_dir) db_dir = os.path.join(target_dir, build) subprocess.check_call(cmd, shell=True) os.rename(os.path.join(target_dir, "db_v20"), db_dir) add_data_table_entry( data_tables, table_name, dict( dbkey=build, value="mpa_v20_m200", name="MetaPhlAn2 clade-specific marker genes", path=db_dir)) if __name__ == "__main__": print("Starting...") # Read command line parser = optparse.OptionParser(description='Download MetaPhlan2 database') parser.add_option('--database', help="Database name") options, args = parser.parse_args() print("args : %s" % args) # Check for JSON file if len(args) != 1: sys.stderr.write("Need to supply JSON file name") sys.exit(1) jsonfile = args[0] # Read the input JSON params, target_dir = read_input_json(jsonfile) # Make the target directory print("Making %s" % target_dir) os.mkdir(target_dir) # Set up data tables dictionary data_tables = create_data_tables_dict() add_data_table(data_tables, "metaphlan2_database") # Fetch data from specified data sources if options.database == "db_v20": download_metaphlan2_db( data_tables, "v20", "metaphlan2_database", target_dir) # Write output JSON print("Outputting JSON") print(str(json.dumps(data_tables))) with open(jsonfile, 'wb') as out: out.write(json.dumps(data_tables)) print("Done.")
mblue9/tools-iuc
data_managers/data_manager_metaphlan2_database_downloader/data_manager/data_manager_metaphlan2_download.py
Python
mit
4,332
[ "Galaxy" ]
bc8d90a29524d35c2f3ffda24ccaf61083275242e6668150d940c4789f8a7476
# encoding: utf-8 """ A lightweight Traits like module. This is designed to provide a lightweight, simple, pure Python version of many of the capabilities of enthought.traits. This includes: * Validation * Type specification with defaults * Static and dynamic notification * Basic predefined types * An API that is similar to enthought.traits We don't support: * Delegation * Automatic GUI generation * A full set of trait types. Most importantly, we don't provide container traits (list, dict, tuple) that can trigger notifications if their contents change. * API compatibility with enthought.traits There are also some important difference in our design: * enthought.traits does not validate default values. We do. We choose to create this module because we need these capabilities, but we need them to be pure Python so they work in all Python implementations, including Jython and IronPython. Authors: * Brian Granger * Enthought, Inc. Some of the code in this file comes from enthought.traits and is licensed under the BSD license. Also, many of the ideas also come from enthought.traits even though our implementation is very different. """ #----------------------------------------------------------------------------- # Copyright (C) 2008-2011 The IPython Development Team # # Distributed under the terms of the BSD License. The full license is in # the file COPYING, distributed as part of this software. #----------------------------------------------------------------------------- #----------------------------------------------------------------------------- # Imports #----------------------------------------------------------------------------- import inspect import re import sys import types from types import FunctionType try: from types import ClassType, InstanceType ClassTypes = (ClassType, type) except: ClassTypes = (type,) from .importstring import import_item from IPython.utils import py3compat SequenceTypes = (list, tuple, set, frozenset) #----------------------------------------------------------------------------- # Basic classes #----------------------------------------------------------------------------- class NoDefaultSpecified ( object ): pass NoDefaultSpecified = NoDefaultSpecified() class Undefined ( object ): pass Undefined = Undefined() class TraitError(Exception): pass #----------------------------------------------------------------------------- # Utilities #----------------------------------------------------------------------------- def class_of ( object ): """ Returns a string containing the class name of an object with the correct indefinite article ('a' or 'an') preceding it (e.g., 'an Image', 'a PlotValue'). """ if isinstance( object, basestring ): return add_article( object ) return add_article( object.__class__.__name__ ) def add_article ( name ): """ Returns a string containing the correct indefinite article ('a' or 'an') prefixed to the specified string. """ if name[:1].lower() in 'aeiou': return 'an ' + name return 'a ' + name def repr_type(obj): """ Return a string representation of a value and its type for readable error messages. """ the_type = type(obj) if (not py3compat.PY3) and the_type is InstanceType: # Old-style class. the_type = obj.__class__ msg = '%r %r' % (obj, the_type) return msg def parse_notifier_name(name): """Convert the name argument to a list of names. Examples -------- >>> parse_notifier_name('a') ['a'] >>> parse_notifier_name(['a','b']) ['a', 'b'] >>> parse_notifier_name(None) ['anytrait'] """ if isinstance(name, str): return [name] elif name is None: return ['anytrait'] elif isinstance(name, (list, tuple)): for n in name: assert isinstance(n, str), "names must be strings" return name class _SimpleTest: def __init__ ( self, value ): self.value = value def __call__ ( self, test ): return test == self.value def __repr__(self): return "<SimpleTest(%r)" % self.value def __str__(self): return self.__repr__() def getmembers(object, predicate=None): """A safe version of inspect.getmembers that handles missing attributes. This is useful when there are descriptor based attributes that for some reason raise AttributeError even though they exist. This happens in zope.inteface with the __provides__ attribute. """ results = [] for key in dir(object): try: value = getattr(object, key) except AttributeError: pass else: if not predicate or predicate(value): results.append((key, value)) results.sort() return results #----------------------------------------------------------------------------- # Base TraitType for all traits #----------------------------------------------------------------------------- class TraitType(object): """A base class for all trait descriptors. Notes ----- Our implementation of traits is based on Python's descriptor prototol. This class is the base class for all such descriptors. The only magic we use is a custom metaclass for the main :class:`HasTraits` class that does the following: 1. Sets the :attr:`name` attribute of every :class:`TraitType` instance in the class dict to the name of the attribute. 2. Sets the :attr:`this_class` attribute of every :class:`TraitType` instance in the class dict to the *class* that declared the trait. This is used by the :class:`This` trait to allow subclasses to accept superclasses for :class:`This` values. """ metadata = {} default_value = Undefined info_text = 'any value' def __init__(self, default_value=NoDefaultSpecified, **metadata): """Create a TraitType. """ if default_value is not NoDefaultSpecified: self.default_value = default_value if len(metadata) > 0: if len(self.metadata) > 0: self._metadata = self.metadata.copy() self._metadata.update(metadata) else: self._metadata = metadata else: self._metadata = self.metadata self.init() def init(self): pass def get_default_value(self): """Create a new instance of the default value.""" return self.default_value def instance_init(self, obj): """This is called by :meth:`HasTraits.__new__` to finish init'ing. Some stages of initialization must be delayed until the parent :class:`HasTraits` instance has been created. This method is called in :meth:`HasTraits.__new__` after the instance has been created. This method trigger the creation and validation of default values and also things like the resolution of str given class names in :class:`Type` and :class`Instance`. Parameters ---------- obj : :class:`HasTraits` instance The parent :class:`HasTraits` instance that has just been created. """ self.set_default_value(obj) def set_default_value(self, obj): """Set the default value on a per instance basis. This method is called by :meth:`instance_init` to create and validate the default value. The creation and validation of default values must be delayed until the parent :class:`HasTraits` class has been instantiated. """ # Check for a deferred initializer defined in the same class as the # trait declaration or above. mro = type(obj).mro() meth_name = '_%s_default' % self.name for cls in mro[:mro.index(self.this_class)+1]: if meth_name in cls.__dict__: break else: # We didn't find one. Do static initialization. dv = self.get_default_value() newdv = self._validate(obj, dv) obj._trait_values[self.name] = newdv return # Complete the dynamic initialization. obj._trait_dyn_inits[self.name] = cls.__dict__[meth_name] def __get__(self, obj, cls=None): """Get the value of the trait by self.name for the instance. Default values are instantiated when :meth:`HasTraits.__new__` is called. Thus by the time this method gets called either the default value or a user defined value (they called :meth:`__set__`) is in the :class:`HasTraits` instance. """ if obj is None: return self else: try: value = obj._trait_values[self.name] except KeyError: # Check for a dynamic initializer. if self.name in obj._trait_dyn_inits: value = obj._trait_dyn_inits[self.name](obj) # FIXME: Do we really validate here? value = self._validate(obj, value) obj._trait_values[self.name] = value return value else: raise TraitError('Unexpected error in TraitType: ' 'both default value and dynamic initializer are ' 'absent.') except Exception: # HasTraits should call set_default_value to populate # this. So this should never be reached. raise TraitError('Unexpected error in TraitType: ' 'default value not set properly') else: return value def __set__(self, obj, value): new_value = self._validate(obj, value) old_value = self.__get__(obj) if old_value != new_value: obj._trait_values[self.name] = new_value obj._notify_trait(self.name, old_value, new_value) def _validate(self, obj, value): if hasattr(self, 'validate'): return self.validate(obj, value) elif hasattr(self, 'is_valid_for'): valid = self.is_valid_for(value) if valid: return value else: raise TraitError('invalid value for type: %r' % value) elif hasattr(self, 'value_for'): return self.value_for(value) else: return value def info(self): return self.info_text def error(self, obj, value): if obj is not None: e = "The '%s' trait of %s instance must be %s, but a value of %s was specified." \ % (self.name, class_of(obj), self.info(), repr_type(value)) else: e = "The '%s' trait must be %s, but a value of %r was specified." \ % (self.name, self.info(), repr_type(value)) raise TraitError(e) def get_metadata(self, key): return getattr(self, '_metadata', {}).get(key, None) def set_metadata(self, key, value): getattr(self, '_metadata', {})[key] = value #----------------------------------------------------------------------------- # The HasTraits implementation #----------------------------------------------------------------------------- class MetaHasTraits(type): """A metaclass for HasTraits. This metaclass makes sure that any TraitType class attributes are instantiated and sets their name attribute. """ def __new__(mcls, name, bases, classdict): """Create the HasTraits class. This instantiates all TraitTypes in the class dict and sets their :attr:`name` attribute. """ # print "MetaHasTraitlets (mcls, name): ", mcls, name # print "MetaHasTraitlets (bases): ", bases # print "MetaHasTraitlets (classdict): ", classdict for k,v in classdict.iteritems(): if isinstance(v, TraitType): v.name = k elif inspect.isclass(v): if issubclass(v, TraitType): vinst = v() vinst.name = k classdict[k] = vinst return super(MetaHasTraits, mcls).__new__(mcls, name, bases, classdict) def __init__(cls, name, bases, classdict): """Finish initializing the HasTraits class. This sets the :attr:`this_class` attribute of each TraitType in the class dict to the newly created class ``cls``. """ for k, v in classdict.iteritems(): if isinstance(v, TraitType): v.this_class = cls super(MetaHasTraits, cls).__init__(name, bases, classdict) class HasTraits(object): __metaclass__ = MetaHasTraits def __new__(cls, **kw): # This is needed because in Python 2.6 object.__new__ only accepts # the cls argument. new_meth = super(HasTraits, cls).__new__ if new_meth is object.__new__: inst = new_meth(cls) else: inst = new_meth(cls, **kw) inst._trait_values = {} inst._trait_notifiers = {} inst._trait_dyn_inits = {} # Here we tell all the TraitType instances to set their default # values on the instance. for key in dir(cls): # Some descriptors raise AttributeError like zope.interface's # __provides__ attributes even though they exist. This causes # AttributeErrors even though they are listed in dir(cls). try: value = getattr(cls, key) except AttributeError: pass else: if isinstance(value, TraitType): value.instance_init(inst) return inst def __init__(self, **kw): # Allow trait values to be set using keyword arguments. # We need to use setattr for this to trigger validation and # notifications. for key, value in kw.iteritems(): setattr(self, key, value) def _notify_trait(self, name, old_value, new_value): # First dynamic ones callables = self._trait_notifiers.get(name,[]) more_callables = self._trait_notifiers.get('anytrait',[]) callables.extend(more_callables) # Now static ones try: cb = getattr(self, '_%s_changed' % name) except: pass else: callables.append(cb) # Call them all now for c in callables: # Traits catches and logs errors here. I allow them to raise if callable(c): argspec = inspect.getargspec(c) nargs = len(argspec[0]) # Bound methods have an additional 'self' argument # I don't know how to treat unbound methods, but they # can't really be used for callbacks. if isinstance(c, types.MethodType): offset = -1 else: offset = 0 if nargs + offset == 0: c() elif nargs + offset == 1: c(name) elif nargs + offset == 2: c(name, new_value) elif nargs + offset == 3: c(name, old_value, new_value) else: raise TraitError('a trait changed callback ' 'must have 0-3 arguments.') else: raise TraitError('a trait changed callback ' 'must be callable.') def _add_notifiers(self, handler, name): if not self._trait_notifiers.has_key(name): nlist = [] self._trait_notifiers[name] = nlist else: nlist = self._trait_notifiers[name] if handler not in nlist: nlist.append(handler) def _remove_notifiers(self, handler, name): if self._trait_notifiers.has_key(name): nlist = self._trait_notifiers[name] try: index = nlist.index(handler) except ValueError: pass else: del nlist[index] def on_trait_change(self, handler, name=None, remove=False): """Setup a handler to be called when a trait changes. This is used to setup dynamic notifications of trait changes. Static handlers can be created by creating methods on a HasTraits subclass with the naming convention '_[traitname]_changed'. Thus, to create static handler for the trait 'a', create the method _a_changed(self, name, old, new) (fewer arguments can be used, see below). Parameters ---------- handler : callable A callable that is called when a trait changes. Its signature can be handler(), handler(name), handler(name, new) or handler(name, old, new). name : list, str, None If None, the handler will apply to all traits. If a list of str, handler will apply to all names in the list. If a str, the handler will apply just to that name. remove : bool If False (the default), then install the handler. If True then unintall it. """ if remove: names = parse_notifier_name(name) for n in names: self._remove_notifiers(handler, n) else: names = parse_notifier_name(name) for n in names: self._add_notifiers(handler, n) @classmethod def class_trait_names(cls, **metadata): """Get a list of all the names of this classes traits. This method is just like the :meth:`trait_names` method, but is unbound. """ return cls.class_traits(**metadata).keys() @classmethod def class_traits(cls, **metadata): """Get a list of all the traits of this class. This method is just like the :meth:`traits` method, but is unbound. The TraitTypes returned don't know anything about the values that the various HasTrait's instances are holding. This follows the same algorithm as traits does and does not allow for any simple way of specifying merely that a metadata name exists, but has any value. This is because get_metadata returns None if a metadata key doesn't exist. """ traits = dict([memb for memb in getmembers(cls) if \ isinstance(memb[1], TraitType)]) if len(metadata) == 0: return traits for meta_name, meta_eval in metadata.items(): if type(meta_eval) is not FunctionType: metadata[meta_name] = _SimpleTest(meta_eval) result = {} for name, trait in traits.items(): for meta_name, meta_eval in metadata.items(): if not meta_eval(trait.get_metadata(meta_name)): break else: result[name] = trait return result def trait_names(self, **metadata): """Get a list of all the names of this classes traits.""" return self.traits(**metadata).keys() def traits(self, **metadata): """Get a list of all the traits of this class. The TraitTypes returned don't know anything about the values that the various HasTrait's instances are holding. This follows the same algorithm as traits does and does not allow for any simple way of specifying merely that a metadata name exists, but has any value. This is because get_metadata returns None if a metadata key doesn't exist. """ traits = dict([memb for memb in getmembers(self.__class__) if \ isinstance(memb[1], TraitType)]) if len(metadata) == 0: return traits for meta_name, meta_eval in metadata.items(): if type(meta_eval) is not FunctionType: metadata[meta_name] = _SimpleTest(meta_eval) result = {} for name, trait in traits.items(): for meta_name, meta_eval in metadata.items(): if not meta_eval(trait.get_metadata(meta_name)): break else: result[name] = trait return result def trait_metadata(self, traitname, key): """Get metadata values for trait by key.""" try: trait = getattr(self.__class__, traitname) except AttributeError: raise TraitError("Class %s does not have a trait named %s" % (self.__class__.__name__, traitname)) else: return trait.get_metadata(key) #----------------------------------------------------------------------------- # Actual TraitTypes implementations/subclasses #----------------------------------------------------------------------------- #----------------------------------------------------------------------------- # TraitTypes subclasses for handling classes and instances of classes #----------------------------------------------------------------------------- class ClassBasedTraitType(TraitType): """A trait with error reporting for Type, Instance and This.""" def error(self, obj, value): kind = type(value) if (not py3compat.PY3) and kind is InstanceType: msg = 'class %s' % value.__class__.__name__ else: msg = '%s (i.e. %s)' % ( str( kind )[1:-1], repr( value ) ) if obj is not None: e = "The '%s' trait of %s instance must be %s, but a value of %s was specified." \ % (self.name, class_of(obj), self.info(), msg) else: e = "The '%s' trait must be %s, but a value of %r was specified." \ % (self.name, self.info(), msg) raise TraitError(e) class Type(ClassBasedTraitType): """A trait whose value must be a subclass of a specified class.""" def __init__ (self, default_value=None, klass=None, allow_none=True, **metadata ): """Construct a Type trait A Type trait specifies that its values must be subclasses of a particular class. If only ``default_value`` is given, it is used for the ``klass`` as well. Parameters ---------- default_value : class, str or None The default value must be a subclass of klass. If an str, the str must be a fully specified class name, like 'foo.bar.Bah'. The string is resolved into real class, when the parent :class:`HasTraits` class is instantiated. klass : class, str, None Values of this trait must be a subclass of klass. The klass may be specified in a string like: 'foo.bar.MyClass'. The string is resolved into real class, when the parent :class:`HasTraits` class is instantiated. allow_none : boolean Indicates whether None is allowed as an assignable value. Even if ``False``, the default value may be ``None``. """ if default_value is None: if klass is None: klass = object elif klass is None: klass = default_value if not (inspect.isclass(klass) or isinstance(klass, basestring)): raise TraitError("A Type trait must specify a class.") self.klass = klass self._allow_none = allow_none super(Type, self).__init__(default_value, **metadata) def validate(self, obj, value): """Validates that the value is a valid object instance.""" try: if issubclass(value, self.klass): return value except: if (value is None) and (self._allow_none): return value self.error(obj, value) def info(self): """ Returns a description of the trait.""" if isinstance(self.klass, basestring): klass = self.klass else: klass = self.klass.__name__ result = 'a subclass of ' + klass if self._allow_none: return result + ' or None' return result def instance_init(self, obj): self._resolve_classes() super(Type, self).instance_init(obj) def _resolve_classes(self): if isinstance(self.klass, basestring): self.klass = import_item(self.klass) if isinstance(self.default_value, basestring): self.default_value = import_item(self.default_value) def get_default_value(self): return self.default_value class DefaultValueGenerator(object): """A class for generating new default value instances.""" def __init__(self, *args, **kw): self.args = args self.kw = kw def generate(self, klass): return klass(*self.args, **self.kw) class Instance(ClassBasedTraitType): """A trait whose value must be an instance of a specified class. The value can also be an instance of a subclass of the specified class. """ def __init__(self, klass=None, args=None, kw=None, allow_none=True, **metadata ): """Construct an Instance trait. This trait allows values that are instances of a particular class or its sublclasses. Our implementation is quite different from that of enthough.traits as we don't allow instances to be used for klass and we handle the ``args`` and ``kw`` arguments differently. Parameters ---------- klass : class, str The class that forms the basis for the trait. Class names can also be specified as strings, like 'foo.bar.Bar'. args : tuple Positional arguments for generating the default value. kw : dict Keyword arguments for generating the default value. allow_none : bool Indicates whether None is allowed as a value. Default Value ------------- If both ``args`` and ``kw`` are None, then the default value is None. If ``args`` is a tuple and ``kw`` is a dict, then the default is created as ``klass(*args, **kw)``. If either ``args`` or ``kw`` is not (but not both), None is replace by ``()`` or ``{}``. """ self._allow_none = allow_none if (klass is None) or (not (inspect.isclass(klass) or isinstance(klass, basestring))): raise TraitError('The klass argument must be a class' ' you gave: %r' % klass) self.klass = klass # self.klass is a class, so handle default_value if args is None and kw is None: default_value = None else: if args is None: # kw is not None args = () elif kw is None: # args is not None kw = {} if not isinstance(kw, dict): raise TraitError("The 'kw' argument must be a dict or None.") if not isinstance(args, tuple): raise TraitError("The 'args' argument must be a tuple or None.") default_value = DefaultValueGenerator(*args, **kw) super(Instance, self).__init__(default_value, **metadata) def validate(self, obj, value): if value is None: if self._allow_none: return value self.error(obj, value) if isinstance(value, self.klass): return value else: self.error(obj, value) def info(self): if isinstance(self.klass, basestring): klass = self.klass else: klass = self.klass.__name__ result = class_of(klass) if self._allow_none: return result + ' or None' return result def instance_init(self, obj): self._resolve_classes() super(Instance, self).instance_init(obj) def _resolve_classes(self): if isinstance(self.klass, basestring): self.klass = import_item(self.klass) def get_default_value(self): """Instantiate a default value instance. This is called when the containing HasTraits classes' :meth:`__new__` method is called to ensure that a unique instance is created for each HasTraits instance. """ dv = self.default_value if isinstance(dv, DefaultValueGenerator): return dv.generate(self.klass) else: return dv class This(ClassBasedTraitType): """A trait for instances of the class containing this trait. Because how how and when class bodies are executed, the ``This`` trait can only have a default value of None. This, and because we always validate default values, ``allow_none`` is *always* true. """ info_text = 'an instance of the same type as the receiver or None' def __init__(self, **metadata): super(This, self).__init__(None, **metadata) def validate(self, obj, value): # What if value is a superclass of obj.__class__? This is # complicated if it was the superclass that defined the This # trait. if isinstance(value, self.this_class) or (value is None): return value else: self.error(obj, value) #----------------------------------------------------------------------------- # Basic TraitTypes implementations/subclasses #----------------------------------------------------------------------------- class Any(TraitType): default_value = None info_text = 'any value' class Int(TraitType): """An int trait.""" default_value = 0 info_text = 'an int' def validate(self, obj, value): if isinstance(value, int): return value self.error(obj, value) class CInt(Int): """A casting version of the int trait.""" def validate(self, obj, value): try: return int(value) except: self.error(obj, value) if py3compat.PY3: Long, CLong = Int, CInt Integer = Int else: class Long(TraitType): """A long integer trait.""" default_value = 0L info_text = 'a long' def validate(self, obj, value): if isinstance(value, long): return value if isinstance(value, int): return long(value) self.error(obj, value) class CLong(Long): """A casting version of the long integer trait.""" def validate(self, obj, value): try: return long(value) except: self.error(obj, value) class Integer(TraitType): """An integer trait. Longs that are unnecessary (<= sys.maxint) are cast to ints.""" default_value = 0 info_text = 'an integer' def validate(self, obj, value): if isinstance(value, int): return value elif isinstance(value, long): # downcast longs that fit in int: # note that int(n > sys.maxint) returns a long, so # we don't need a condition on this cast return int(value) self.error(obj, value) class Float(TraitType): """A float trait.""" default_value = 0.0 info_text = 'a float' def validate(self, obj, value): if isinstance(value, float): return value if isinstance(value, int): return float(value) self.error(obj, value) class CFloat(Float): """A casting version of the float trait.""" def validate(self, obj, value): try: return float(value) except: self.error(obj, value) class Complex(TraitType): """A trait for complex numbers.""" default_value = 0.0 + 0.0j info_text = 'a complex number' def validate(self, obj, value): if isinstance(value, complex): return value if isinstance(value, (float, int)): return complex(value) self.error(obj, value) class CComplex(Complex): """A casting version of the complex number trait.""" def validate (self, obj, value): try: return complex(value) except: self.error(obj, value) # We should always be explicit about whether we're using bytes or unicode, both # for Python 3 conversion and for reliable unicode behaviour on Python 2. So # we don't have a Str type. class Bytes(TraitType): """A trait for byte strings.""" default_value = b'' info_text = 'a string' def validate(self, obj, value): if isinstance(value, bytes): return value self.error(obj, value) class CBytes(Bytes): """A casting version of the byte string trait.""" def validate(self, obj, value): try: return bytes(value) except: self.error(obj, value) class Unicode(TraitType): """A trait for unicode strings.""" default_value = u'' info_text = 'a unicode string' def validate(self, obj, value): if isinstance(value, unicode): return value if isinstance(value, bytes): return unicode(value) self.error(obj, value) class CUnicode(Unicode): """A casting version of the unicode trait.""" def validate(self, obj, value): try: return unicode(value) except: self.error(obj, value) class ObjectName(TraitType): """A string holding a valid object name in this version of Python. This does not check that the name exists in any scope.""" info_text = "a valid object identifier in Python" if py3compat.PY3: # Python 3: coerce_str = staticmethod(lambda _,s: s) else: # Python 2: def coerce_str(self, obj, value): "In Python 2, coerce ascii-only unicode to str" if isinstance(value, unicode): try: return str(value) except UnicodeEncodeError: self.error(obj, value) return value def validate(self, obj, value): value = self.coerce_str(obj, value) if isinstance(value, str) and py3compat.isidentifier(value): return value self.error(obj, value) class DottedObjectName(ObjectName): """A string holding a valid dotted object name in Python, such as A.b3._c""" def validate(self, obj, value): value = self.coerce_str(obj, value) if isinstance(value, str) and py3compat.isidentifier(value, dotted=True): return value self.error(obj, value) class Bool(TraitType): """A boolean (True, False) trait.""" default_value = False info_text = 'a boolean' def validate(self, obj, value): if isinstance(value, bool): return value self.error(obj, value) class CBool(Bool): """A casting version of the boolean trait.""" def validate(self, obj, value): try: return bool(value) except: self.error(obj, value) class Enum(TraitType): """An enum that whose value must be in a given sequence.""" def __init__(self, values, default_value=None, allow_none=True, **metadata): self.values = values self._allow_none = allow_none super(Enum, self).__init__(default_value, **metadata) def validate(self, obj, value): if value is None: if self._allow_none: return value if value in self.values: return value self.error(obj, value) def info(self): """ Returns a description of the trait.""" result = 'any of ' + repr(self.values) if self._allow_none: return result + ' or None' return result class CaselessStrEnum(Enum): """An enum of strings that are caseless in validate.""" def validate(self, obj, value): if value is None: if self._allow_none: return value if not isinstance(value, basestring): self.error(obj, value) for v in self.values: if v.lower() == value.lower(): return v self.error(obj, value) class Container(Instance): """An instance of a container (list, set, etc.) To be subclassed by overriding klass. """ klass = None _valid_defaults = SequenceTypes _trait = None def __init__(self, trait=None, default_value=None, allow_none=True, **metadata): """Create a container trait type from a list, set, or tuple. The default value is created by doing ``List(default_value)``, which creates a copy of the ``default_value``. ``trait`` can be specified, which restricts the type of elements in the container to that TraitType. If only one arg is given and it is not a Trait, it is taken as ``default_value``: ``c = List([1,2,3])`` Parameters ---------- trait : TraitType [ optional ] the type for restricting the contents of the Container. If unspecified, types are not checked. default_value : SequenceType [ optional ] The default value for the Trait. Must be list/tuple/set, and will be cast to the container type. allow_none : Bool [ default True ] Whether to allow the value to be None **metadata : any further keys for extensions to the Trait (e.g. config) """ istrait = lambda t: isinstance(t, type) and issubclass(t, TraitType) # allow List([values]): if default_value is None and not istrait(trait): default_value = trait trait = None if default_value is None: args = () elif isinstance(default_value, self._valid_defaults): args = (default_value,) else: raise TypeError('default value of %s was %s' %(self.__class__.__name__, default_value)) if istrait(trait): self._trait = trait() self._trait.name = 'element' elif trait is not None: raise TypeError("`trait` must be a Trait or None, got %s"%repr_type(trait)) super(Container,self).__init__(klass=self.klass, args=args, allow_none=allow_none, **metadata) def element_error(self, obj, element, validator): e = "Element of the '%s' trait of %s instance must be %s, but a value of %s was specified." \ % (self.name, class_of(obj), validator.info(), repr_type(element)) raise TraitError(e) def validate(self, obj, value): value = super(Container, self).validate(obj, value) if value is None: return value value = self.validate_elements(obj, value) return value def validate_elements(self, obj, value): validated = [] if self._trait is None or isinstance(self._trait, Any): return value for v in value: try: v = self._trait.validate(obj, v) except TraitError: self.element_error(obj, v, self._trait) else: validated.append(v) return self.klass(validated) class List(Container): """An instance of a Python list.""" klass = list def __init__(self, trait=None, default_value=None, minlen=0, maxlen=sys.maxint, allow_none=True, **metadata): """Create a List trait type from a list, set, or tuple. The default value is created by doing ``List(default_value)``, which creates a copy of the ``default_value``. ``trait`` can be specified, which restricts the type of elements in the container to that TraitType. If only one arg is given and it is not a Trait, it is taken as ``default_value``: ``c = List([1,2,3])`` Parameters ---------- trait : TraitType [ optional ] the type for restricting the contents of the Container. If unspecified, types are not checked. default_value : SequenceType [ optional ] The default value for the Trait. Must be list/tuple/set, and will be cast to the container type. minlen : Int [ default 0 ] The minimum length of the input list maxlen : Int [ default sys.maxint ] The maximum length of the input list allow_none : Bool [ default True ] Whether to allow the value to be None **metadata : any further keys for extensions to the Trait (e.g. config) """ self._minlen = minlen self._maxlen = maxlen super(List, self).__init__(trait=trait, default_value=default_value, allow_none=allow_none, **metadata) def length_error(self, obj, value): e = "The '%s' trait of %s instance must be of length %i <= L <= %i, but a value of %s was specified." \ % (self.name, class_of(obj), self._minlen, self._maxlen, value) raise TraitError(e) def validate_elements(self, obj, value): length = len(value) if length < self._minlen or length > self._maxlen: self.length_error(obj, value) return super(List, self).validate_elements(obj, value) class Set(Container): """An instance of a Python set.""" klass = set class Tuple(Container): """An instance of a Python tuple.""" klass = tuple def __init__(self, *traits, **metadata): """Tuple(*traits, default_value=None, allow_none=True, **medatata) Create a tuple from a list, set, or tuple. Create a fixed-type tuple with Traits: ``t = Tuple(Int, Str, CStr)`` would be length 3, with Int,Str,CStr for each element. If only one arg is given and it is not a Trait, it is taken as default_value: ``t = Tuple((1,2,3))`` Otherwise, ``default_value`` *must* be specified by keyword. Parameters ---------- *traits : TraitTypes [ optional ] the tsype for restricting the contents of the Tuple. If unspecified, types are not checked. If specified, then each positional argument corresponds to an element of the tuple. Tuples defined with traits are of fixed length. default_value : SequenceType [ optional ] The default value for the Tuple. Must be list/tuple/set, and will be cast to a tuple. If `traits` are specified, the `default_value` must conform to the shape and type they specify. allow_none : Bool [ default True ] Whether to allow the value to be None **metadata : any further keys for extensions to the Trait (e.g. config) """ default_value = metadata.pop('default_value', None) allow_none = metadata.pop('allow_none', True) istrait = lambda t: isinstance(t, type) and issubclass(t, TraitType) # allow Tuple((values,)): if len(traits) == 1 and default_value is None and not istrait(traits[0]): default_value = traits[0] traits = () if default_value is None: args = () elif isinstance(default_value, self._valid_defaults): args = (default_value,) else: raise TypeError('default value of %s was %s' %(self.__class__.__name__, default_value)) self._traits = [] for trait in traits: t = trait() t.name = 'element' self._traits.append(t) if self._traits and default_value is None: # don't allow default to be an empty container if length is specified args = None super(Container,self).__init__(klass=self.klass, args=args, allow_none=allow_none, **metadata) def validate_elements(self, obj, value): if not self._traits: # nothing to validate return value if len(value) != len(self._traits): e = "The '%s' trait of %s instance requires %i elements, but a value of %s was specified." \ % (self.name, class_of(obj), len(self._traits), repr_type(value)) raise TraitError(e) validated = [] for t,v in zip(self._traits, value): try: v = t.validate(obj, v) except TraitError: self.element_error(obj, v, t) else: validated.append(v) return tuple(validated) class Dict(Instance): """An instance of a Python dict.""" def __init__(self, default_value=None, allow_none=True, **metadata): """Create a dict trait type from a dict. The default value is created by doing ``dict(default_value)``, which creates a copy of the ``default_value``. """ if default_value is None: args = ((),) elif isinstance(default_value, dict): args = (default_value,) elif isinstance(default_value, SequenceTypes): args = (default_value,) else: raise TypeError('default value of Dict was %s' % default_value) super(Dict,self).__init__(klass=dict, args=args, allow_none=allow_none, **metadata) class TCPAddress(TraitType): """A trait for an (ip, port) tuple. This allows for both IPv4 IP addresses as well as hostnames. """ default_value = ('127.0.0.1', 0) info_text = 'an (ip, port) tuple' def validate(self, obj, value): if isinstance(value, tuple): if len(value) == 2: if isinstance(value[0], basestring) and isinstance(value[1], int): port = value[1] if port >= 0 and port <= 65535: return value self.error(obj, value) class CRegExp(TraitType): """A casting compiled regular expression trait. Accepts both strings and compiled regular expressions. The resulting attribute will be a compiled regular expression.""" info_text = 'a regular expression' def validate(self, obj, value): try: return re.compile(value) except: self.error(obj, value)
cloud9ers/gurumate
environment/lib/python2.7/site-packages/IPython/utils/traitlets.py
Python
lgpl-3.0
46,762
[ "Brian" ]
0765b55785a24d5756499c97cb6b279dfcd3f1b9baa2632759ff6bb0c2e02232
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2017 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License as published by # the Free Software Foundation, version 3. # # Psi4 is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public License along # with Psi4; if not, write to the Free Software Foundation, Inc., # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # @END LICENSE # from __future__ import print_function,absolute_import """Queries the PubChem database using a compound name (i.e. 1,3,5-hexatriene) to obtain a molecule string that can be passed to Molecule. :: results = getPubChemObj("1,3,5-hexatriene") Results is an array of results from PubChem matches to your query. for entry in results: entry["CID"] => PubChem compound identifer entry["IUPAC"] => IUPAC name for the resulting compound entry["PubChemObj"] => instance of PubChemObj for this compound entry["PubChemObj"].getMoleculeString() => returns a string compatible with Psi4's Molecule creation """ try: # Python 2 syntax from urllib2 import urlopen, Request from urllib2 import quote from urllib2 import URLError except ImportError: # Python 3 syntax from urllib.request import urlopen, Request from urllib.parse import quote from urllib.error import URLError import xml.etree.ElementTree as ET import json import time import gzip import re import sys import os from psi4.driver.p4util.exceptions import * class PubChemObj(object): def __init__(self, cid, mf, iupac): self.url = 'http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi' self.cid = cid self.mf = mf self.iupac = iupac self.natom = 0 self.dataSDF = '' def __str__(self): return "%17d %s\n" % (self.cid, self.iupac) def getSDF(self): """Function to return the SDF (structure-data file) of the PubChem object.""" if (len(self.dataSDF) == 0): def extract_xml_keyval(xml, key): """ A useful helper function for parsing a single key from XML. """ try: # Python 2.6 (ElementTree 1.2 API) matches = xml.getiterator(key) except: # Python 2.7 (ElementTree 1.3 API) matches = list(xml.iter(key)) if len(matches) == 0: return None elif len(matches) == 1: return matches[0].text else: print(matches) raise ValidationError("""PubChem: too many matches found %d""" % (len(matches))) url = 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/%d/SDF?record_type=3d' % self.cid req = Request(url, headers={'Accept' : 'chemical/x-mdl-sdfile'}) try: self.dataSDF = urlopen(req).read().decode('utf-8') except URLError as e: msg = "Unable to open\n\n%s\n\ndue to the error\n\n%s\n\n" %(url, e) msg += "It is possible that 3D information does not exist for this molecule in the PubChem database\n" print(msg) raise ValidationError(msg) return self.dataSDF def name(self): """Function to return the IUPAC name of the PubChem object.""" return self.iupac def getCartesian(self): """Function to return a string of the atom symbol and XYZ coordinates of the PubChem object. """ try: sdfText = self.getSDF() except Exception as e: raise e # Find # NA NB CONSTANT # 14 13 0 0 0 0 0 0 0999 V2000 m = re.search(r'^\s*(\d+)\s+(?:\d+\s+){8}V2000$', sdfText, re.MULTILINE) self.natom = 0 if (m): self.natom = int(m.group(1)) if self.natom == 0: raise ValidationError("PubChem: Cannot find the number of atoms. 3D data doesn't appear\n" + "to be available for %s.\n" % self.iupac) lines = re.split('\n', sdfText) # 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 NUMBER = "((?:[-+]?\\d*\\.\\d+(?:[DdEe][-+]?\\d+)?)|(?:[-+]?\\d+\\.\\d*(?:[DdEe][-+]?\\d+)?))" atom_re = re.compile(r'^\s*' + NUMBER + r'\s+' + NUMBER + r'\s+' + NUMBER + r'\s*(\w+)(?:\s+\d+){12}') molecule_string = "PubchemInput\n" atom_count = 0 for line in lines: if (not line or line.isspace()): continue atom_match = atom_re.match(line) if atom_match: x = float(atom_match.group(1)) y = float(atom_match.group(2)) z = float(atom_match.group(3)) sym = atom_match.group(4) atom_count = atom_count + 1 molecule_string += "%s %10.6f %10.6f %10.6f\n" % (sym, x, y, z) if (atom_count == self.natom): break return molecule_string def getXYZFile(self): """Function to obtain preferentially a molecule string through getCartesian() or a query string otherwise. """ try: temp = self.getCartesian() except Exception as e: raise molstr = "%d\n%s\n%s" % (self.natom, self.iupac, temp) return molstr def getMoleculeString(self): """Function to obtain a molecule string through getCartesian() or fail. """ try: return self.getCartesian() except Exception as e: return e.message def getPubChemResults(name): """Function to query the PubChem database for molecules matching the input string. Builds a PubChem object if found. """ print("\tSearching PubChem database for %s" % (name)) url = 'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/%s/property/IUPACName,MolecularFormula/JSON' % quote(name) try: response = urlopen(url) except URLError as e: msg = "\tPubchemError\n%s\n\treceived when trying to open\n\t%s\n" % (str(e), url) msg += "\tCheck your internet connection, and the above URL, and try again.\n" raise ValidationError(msg) data = json.loads(response.read().decode('utf-8')) results = [] for d in data['PropertyTable']['Properties']: pubobj = PubChemObj(d['CID'], d['IUPACName'], d['IUPACName']) results.append(pubobj) print("\tFound %d result%s" % (len(results), "" if len(results)==1 else "s")) return results if __name__ == "__main__": try: #obj = getPubChemResults("1-methoxy-4-[(E)-prop-1-enyl]benzene") #obj = getPubChemResults("sodium benzenesulfonate") obj = getPubChemResults("4-[bis(4-hydroxyphenyl)methyl]phenol") except Exception as e: print(e.message) for r in obj: print(r) print(r.getMoleculeString())
rmcgibbo/psi4public
psi4/driver/pubchem.py
Python
lgpl-3.0
7,634
[ "Psi4" ]
56ca4dc8e3ef087a799f7b5ac5f97cfcc62778c43fd3b2fb1864cc63f5a34383
""" Transformers to perform common preprocessing steps. """ # Authors: Alexandre Gramfort <alexandre.gramfort@inria.fr> # Mathieu Blondel <mathieu@mblondel.org> # Olivier Grisel <olivier.grisel@ensta.org> # License: BSD import numpy as np import scipy.sparse as sp from ..utils import check_arrays from ..base import BaseEstimator, TransformerMixin from ._preprocessing import inplace_csr_row_normalize_l1 from ._preprocessing import inplace_csr_row_normalize_l2 def _mean_and_std(X, axis=0, with_mean=True, with_std=True): """Compute mean and std dev for centering, scaling Zero valued std components are reset to 1.0 to avoid NaNs when scaling. """ X = np.asanyarray(X) Xr = np.rollaxis(X, axis) if with_mean: mean_ = Xr.mean(axis=0) else: mean_ = None if with_std: std_ = Xr.std(axis=0) if isinstance(std_, np.ndarray): std_[std_ == 0.0] = 1.0 elif std_ == 0.: std_ = 1. else: std_ = None return mean_, std_ def scale(X, axis=0, with_mean=True, with_std=True, copy=True): """Standardize a dataset along any axis Center to the mean and component wise scale to unit variance. Parameters ---------- X : array-like The data to center and scale. axis : int (0 by default) axis used to compute the means and standard deviations along. If 0, independently standardize each feature, otherwise (if 1) standardize each sample. with_mean : boolean, True by default If True, center the data before scaling. with_std : boolean, True by default If True, scale the data to unit variance (or equivalently, unit standard deviation). copy : boolean, optional, default is True set to False to perform inplace row normalization and avoid a copy (if the input is already a numpy array or a scipy.sparse CSR matrix and if axis is 1). See also -------- :class:`sklearn.preprocessing.Scaler` to perform centering and scaling using the ``Transformer`` API (e.g. as part of a preprocessing :class:`sklearn.pipeline.Pipeline`) """ if sp.issparse(X): raise NotImplementedError( "Scaling is not yet implement for sparse matrices") X = np.asanyarray(X) mean_, std_ = _mean_and_std( X, axis, with_mean=with_mean, with_std=with_std) if copy: X = X.copy() Xr = np.rollaxis(X, axis) if with_mean: Xr -= mean_ if with_std: Xr /= std_ return X class Scaler(BaseEstimator, TransformerMixin): """Standardize features by removing the mean and scaling to unit variance Centering and scaling happen indepently on each feature by computing the relevant statistics on the samples in the training set. Mean and standard deviation are then stored to be used on later data using the `transform` method. Standardization of a dataset is a common requirement for many machine learning estimators: they might behave badly if the individual feature do not more or less look like standard normally distributed data (e.g. Gaussian with 0 mean and unit variance). For instance many elements used in the objective function of a learning algorithm (such as the RBF kernel of Support Vector Machines or the L1 and L2 regularizers of linear models) assume that all features are centered around 0 and have variance in the same order. If a feature has a variance that is orders of magnitude larger that others, it might dominate the objective function and make the estimator unable to learn from other features correctly as expected. Parameters ---------- with_mean : boolean, True by default If True, center the data before scaling. with_std : boolean, True by default If True, scale the data to unit variance (or equivalently, unit standard deviation). copy : boolean, optional, default is True set to False to perform inplace row normalization and avoid a copy (if the input is already a numpy array or a scipy.sparse CSR matrix and if axis is 1). Attributes ---------- mean_ : array of floats with shape [n_features] The mean value for each feature in the training set. std_ : array of floats with shape [n_features] The standard deviation for each feature in the training set. See also -------- :func:`sklearn.preprocessing.scale` to perform centering and scaling without using the ``Transformer`` object oriented API :class:`sklearn.decomposition.RandomizedPCA` with `whiten=True` to further remove the linear correlation across features. """ def __init__(self, copy=True, with_mean=True, with_std=True): self.with_mean = with_mean self.with_std = with_std self.copy = copy def fit(self, X, y=None): """Compute the mean and std to be used for later scaling Parameters ---------- X : array-like with shape [n_samples, n_features] The data used to compute the mean and standard deviation used for later scaling along the features axis. """ if sp.issparse(X): raise NotImplementedError( "Scaling is not yet implement for sparse matrices") self.mean_, self.std_ = _mean_and_std( X, axis=0, with_mean=self.with_mean, with_std=self.with_std) return self def transform(self, X, y=None, copy=None): """Perform standardization by centering and scaling Parameters ---------- X : array-like with shape [n_samples, n_features] The data used to scale along the features axis. """ copy = copy if copy is not None else self.copy if sp.issparse(X): raise NotImplementedError( "Scaling is not yet implement for sparse matrices") X = np.asanyarray(X) if copy: X = X.copy() if self.with_mean: X -= self.mean_ if self.with_std: X /= self.std_ return X def inverse_transform(self, X, copy=None): """Scale back the data to the original representation Parameters ---------- X : array-like with shape [n_samples, n_features] The data used to scale along the features axis. """ copy = copy if copy is not None else self.copy if sp.issparse(X): raise NotImplementedError( "Scaling is not yet implement for sparse matrices") X = np.asanyarray(X) if copy: X = X.copy() if self.with_std: X *= self.std_ if self.with_mean: X += self.mean_ return X def normalize(X, norm='l2', axis=1, copy=True): """Normalize a dataset along any axis Parameters ---------- X : array or scipy.sparse matrix with shape [n_samples, n_features] The data to normalize, element by element. scipy.sparse matrices should be in CSR format to avoid an un-necessary copy. norm : 'l1' or 'l2', optional ('l2' by default) The norm to use to normalize each non zero sample (or each non-zero feature if axis is 0). axis : 0 or 1, optional (1 by default) axis used to normalize the data along. If 1, independently normalize each sample, otherwise (if 0) normalize each feature. copy : boolean, optional, default is True set to False to perform inplace row normalization and avoid a copy (if the input is already a numpy array or a scipy.sparse CSR matrix and if axis is 1). See also -------- :class:`sklearn.preprocessing.Normalizer` to perform normalization using the ``Transformer`` API (e.g. as part of a preprocessing :class:`sklearn.pipeline.Pipeline`) """ if norm not in ('l1', 'l2'): raise ValueError("'%s' is not a supported norm" % norm) if axis == 0: sparse_format = 'csc' elif axis == 1: sparse_format = 'csr' else: raise ValueError("'%d' is not a supported axis" % axis) X = check_arrays(X, sparse_format=sparse_format, copy=copy)[0] if axis == 0: X = X.T if sp.issparse(X): if norm == 'l1': inplace_csr_row_normalize_l1(X) elif norm == 'l2': inplace_csr_row_normalize_l2(X) else: if norm == 'l1': norms = np.abs(X).sum(axis=1)[:, np.newaxis] norms[norms == 0.0] = 1.0 elif norm == 'l2': norms = np.sqrt(np.sum(X ** 2, axis=1))[:, np.newaxis] norms[norms == 0.0] = 1.0 X /= norms if axis == 0: X = X.T return X class Normalizer(BaseEstimator, TransformerMixin): """Normalize samples individually to unit norm Each sample (i.e. each row of the data matrix) with at least one non zero component is rescaled independently of other samples so that its norm (l1 or l2) equals one. This transformer is able to work both with dense numpy arrays and scipy.sparse matrix (use CSR format if you want to avoid the burden of a copy / conversion). Scaling inputs to unit norms is a common operation for text classification or clustering for instance. For instance the dot product of two l2-normalized TF-IDF vectors is the cosine similarity of the vectors and is the base similarity metric for the Vector Space Model commonly used by the Information Retrieval community. Parameters ---------- norm : 'l1' or 'l2', optional ('l2' by default) The norm to use to normalize each non zero sample. copy : boolean, optional, default is True set to False to perform inplace row normalization and avoid a copy (if the input is already a numpy array or a scipy.sparse CSR matrix). Note ---- This estimator is stateless (besides constructor parameters), the fit method does nothing but is useful when used in a pipeline. See also -------- :func:`sklearn.preprocessing.normalize` equivalent function without the object oriented API """ def __init__(self, norm='l2', copy=True): self.norm = norm self.copy = copy def fit(self, X, y=None): """Do nothing and return the estimator unchanged This method is just there to implement the usual API and hence work in pipelines. """ return self def transform(self, X, y=None, copy=None): """Scale each non zero row of X to unit norm Parameters ---------- X : array or scipy.sparse matrix with shape [n_samples, n_features] The data to normalize, row by row. scipy.sparse matrices should be in CSR format to avoid an un-necessary copy. """ copy = copy if copy is not None else self.copy return normalize(X, norm=self.norm, axis=1, copy=copy) def binarize(X, threshold=0.0, copy=True): """Boolean thresholding of array-like or scipy.sparse matrix Parameters ---------- X : array or scipy.sparse matrix with shape [n_samples, n_features] The data to binarize, element by element. scipy.sparse matrices should be in CSR format to avoid an un-necessary copy. threshold : float, optional (0.0 by default) The lower bound that triggers feature values to be replaced by 1.0. copy : boolean, optional, default is True set to False to perform inplace binarization and avoid a copy (if the input is already a numpy array or a scipy.sparse CSR matrix and if axis is 1). See also -------- :class:`sklearn.preprocessing.Binarizer` to perform binarization using the ``Transformer`` API (e.g. as part of a preprocessing :class:`sklearn.pipeline.Pipeline`) """ X = check_arrays(X, sparse_format='csr', copy=copy)[0] if sp.issparse(X): cond = X.data > threshold not_cond = np.logical_not(cond) X.data[cond] = 1 # FIXME: if enough values became 0, it may be worth changing # the sparsity structure X.data[not_cond] = 0 else: cond = X > threshold not_cond = np.logical_not(cond) X[cond] = 1 X[not_cond] = 0 return X class Binarizer(BaseEstimator, TransformerMixin): """Binarize data (set feature values to 0 or 1) according to a threshold The default threshold is 0.0 so that any non-zero values are set to 1.0 and zeros are left untouched. Binarization is a common operation on text count data where the analyst can decide to only consider the presence or absence of a feature rather than a quantified number of occurences for instance. It can also be used as a pre-processing step for estimators that consider boolean random variables (e.g. modeled using the Bernoulli distribution in a Bayesian setting). Parameters ---------- threshold : float, optional (0.0 by default) The lower bound that triggers feature values to be replaced by 1.0. copy : boolean, optional, default is True set to False to perform inplace binarization and avoid a copy (if the input is already a numpy array or a scipy.sparse CSR matrix). Notes ----- If the input is a sparse matrix, only the non-zero values are subject to update by the Binarizer class. This estimator is stateless (besides constructor parameters), the fit method does nothing but is useful when used in a pipeline. """ def __init__(self, threshold=0.0, copy=True): self.threshold = threshold self.copy = copy def fit(self, X, y=None): """Do nothing and return the estimator unchanged This method is just there to implement the usual API and hence work in pipelines. """ return self def transform(self, X, y=None, copy=None): """Binarize each element of X Parameters ---------- X : array or scipy.sparse matrix with shape [n_samples, n_features] The data to binarize, element by element. scipy.sparse matrices should be in CSR format to avoid an un-necessary copy. """ copy = copy if copy is not None else self.copy return binarize(X, threshold=self.threshold, copy=copy) def _is_multilabel(y): return isinstance(y[0], tuple) or isinstance(y[0], list) class LabelBinarizer(BaseEstimator, TransformerMixin): """Binarize labels in a one-vs-all fashion Several regression and binary classification algorithms are available in the scikit. A simple way to extend these algorithms to the multi-class classification case is to use the so-called one-vs-all scheme. At learning time, this simply consists in learning one regressor or binary classifier per class. In doing so, one needs to convert multi-class labels to binary labels (belong or does not belong to the class). LabelBinarizer makes this process easy with the transform method. At prediction time, one assigns the class for which the corresponding model gave the greatest confidence. LabelBinarizer makes this easy with the inverse_transform method. Attributes ---------- classes_ : array of shape [n_class] Holds the label for each class. Examples -------- >>> from sklearn import preprocessing >>> clf = preprocessing.LabelBinarizer() >>> clf.fit([1, 2, 6, 4, 2]) LabelBinarizer() >>> clf.classes_ array([1, 2, 4, 6]) >>> clf.transform([1, 6]) array([[ 1., 0., 0., 0.], [ 0., 0., 0., 1.]]) >>> clf.fit_transform([(1, 2), (3,)]) array([[ 1., 1., 0.], [ 0., 0., 1.]]) >>> clf.classes_ array([1, 2, 3]) """ def fit(self, y): """Fit label binarizer Parameters ---------- y : numpy array of shape [n_samples] or sequence of sequences Target values. In the multilabel case the nested sequences can have variable lengths. Returns ------- self : returns an instance of self. """ self.multilabel = _is_multilabel(y) if self.multilabel: # concatenation of the sub-sequences self.classes_ = np.unique(reduce(lambda a, b: a + b, y)) else: self.classes_ = np.unique(y) return self def transform(self, y): """Transform multi-class labels to binary labels The output of transform is sometimes referred to by some authors as the 1-of-K coding scheme. Parameters ---------- y : numpy array of shape [n_samples] or sequence of sequences Target values. In the multilabel case the nested sequences can have variable lengths. Returns ------- Y : numpy array of shape [n_samples, n_classes] """ if len(self.classes_) == 2: Y = np.zeros((len(y), 1)) else: Y = np.zeros((len(y), len(self.classes_))) y_is_multilabel = _is_multilabel(y) if y_is_multilabel and not self.multilabel: raise ValueError("The object was not fitted with multilabel input!") elif self.multilabel: if not _is_multilabel(y): raise ValueError("y should be a list of label lists/tuples," "got %r" % (y,)) # inverse map: label => column index imap = dict((v, k) for k, v in enumerate(self.classes_)) for i, label_tuple in enumerate(y): for label in label_tuple: Y[i, imap[label]] = 1 return Y elif len(self.classes_) == 2: Y[y == self.classes_[1], 0] = 1 return Y elif len(self.classes_) >= 2: for i, k in enumerate(self.classes_): Y[y == k, i] = 1 return Y else: # Only one class, returns a matrix with all 0s. return Y def inverse_transform(self, Y, threshold=0): """Transform binary labels back to multi-class labels Parameters ---------- Y : numpy array of shape [n_samples, n_classes] Target values. threshold : float Threshold used to decide whether to assign the positive class or the negative class in the binary case. Use 0.5 when Y contains probabilities. Returns ------- y : numpy array of shape [n_samples] or sequence of sequences Target values. In the multilabel case the nested sequences can have variable lengths. Note ----- In the case when the binary labels are fractional (probabilistic), inverse_transform chooses the class with the greatest value. Typically, this allows to use the output of a linear model's decision_function method directly as the input of inverse_transform. """ if self.multilabel: Y = np.array(Y > 0, dtype=int) return [tuple(self.classes_[np.flatnonzero(Y[i])]) for i in range(Y.shape[0])] if len(Y.shape) == 1 or Y.shape[1] == 1: y = np.array(Y.ravel() > threshold, dtype=int) else: y = Y.argmax(axis=1) return self.classes_[y] class KernelCenterer(BaseEstimator, TransformerMixin): """Center a kernel matrix This is equivalent to centering phi(X) with sklearn.preprocessing.Scaler(with_std=False). """ def fit(self, K): """Fit KernelCenterer Parameters ---------- K : numpy array of shape [n_samples, n_samples] Kernel matrix. Returns ------- self : returns an instance of self. """ n_samples = K.shape[0] self.K_fit_rows_ = np.sum(K, axis=0) / n_samples self.K_fit_all_ = self.K_fit_rows_.sum() / n_samples return self def transform(self, K, copy=True): """Center kernel Parameters ---------- K : numpy array of shape [n_samples1, n_samples2] Kernel matrix. Returns ------- K_new : numpy array of shape [n_samples1, n_samples2] """ if copy: K = K.copy() K_pred_cols = (np.sum(K, axis=1) / self.K_fit_rows_.shape[0])[:, np.newaxis] K -= self.K_fit_rows_ K -= K_pred_cols K += self.K_fit_all_ return K
ominux/scikit-learn
sklearn/preprocessing/__init__.py
Python
bsd-3-clause
20,823
[ "Gaussian" ]
e90c25bb1391b5fae55f9712ba4e8def2eae80edeb618b58af0178f29427de5e
########################################################################### # # This program is part of Zenoss Core, an open source monitoring platform. # Copyright (C) 2008, Zenoss Inc. # # This program is free software; you can redistribute it and/or modify it # under the terms of the GNU General Public License version 2 as published by # the Free Software Foundation. # # For complete information please visit: http://www.zenoss.com/oss/ # ########################################################################### import Globals from Products.ZenModel.ZenPack import ZenPack as ZenPackBase from Products.ZenUtils.Utils import unused unused(Globals) class ZenPack(ZenPackBase): def install(self, app): """Custom install method for this ZenPack.""" self.pre_install(app) super(ZenPack, self).install(app) def pre_install(self, app): """Perform steps that should be done before default install.""" devices = app.zport.dmd.Devices events = app.zport.dmd.Events # /Network/Switch/HP device class is a prerequisite. devices.createOrganizer('/Network/Switch/HP') # /Net/traps event class is a prerequisite. events.createOrganizer('/Net/traps')
zenoss/ZenPacks.networking.HPProcurve
ZenPacks/networking/HPProcurve/__init__.py
Python
gpl-2.0
1,240
[ "VisIt" ]
d223b220a10838396efe4ebdf10300c77d0c52e95e0e563994e459ab600ccb47
import sys from pybotvac import ( Account, Neato, OAuthSession, PasswordlessSession, PasswordSession, Vorwerk, ) # Set email and password if you plan to use password authentication. # Set Client ID and Secret if you plan to use OAuth2. # If you plan to use email OTP, all you need to do is specify your email and a Client ID. email = "Your email" password = "Your password" client_id = "Your client it" client_secret = "Your client secret" redirect_uri = "Your redirect URI" # Set your vendor vendor = Neato() ########################## # Authenticate via Email and Password ########################## # session = PasswordSession(email=email, password=password, vendor=vendor) # account = Account(session) ########################## # Authenticate via OAuth2 ########################## session = OAuthSession( client_id=client_id, client_secret=client_secret, redirect_uri=redirect_uri, vendor=vendor, ) authorization_url = session.get_authorization_url() print("Visit: " + authorization_url) authorization_response = input("Enter the full callback URL: ") token = session.fetch_token(authorization_response) account = Account(session) ########################## # Authenticate via One Time Password ########################## # session = PasswordlessSession(client_id=client_id, vendor=vendor) # session.send_email_otp(email) # code = input("Enter the code: ") # session.fetch_token_passwordless(email, code) # account = Account(session) print("Robots:") for robot in account.robots: print(robot) print() print("State:\n", robot.state) print() print("Schedule enabled:", robot.schedule_enabled) print("Disabling schedule") robot.schedule_enabled = False print("Schedule enabled:", robot.schedule_enabled) print("Enabling schedule") robot.schedule_enabled = True print("Schedule enabled:", robot.schedule_enabled) print()
stianaske/pybotvac
sample/sample.py
Python
mit
1,923
[ "VisIt" ]
c3fffb76ce5d2cf82a902e72453df1f2330108cbfee1d2d71c273fb072043579
#!/home/epicardi/bin/python27/bin/python # Copyright (c) 2013-2014 Ernesto Picardi <ernesto.picardi@uniba.it> # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. import sys, os, getopt, time, random, heapq, shutil from tempfile import gettempdir from itertools import islice, cycle from collections import namedtuple from operator import itemgetter try: import pysam except: sys.exit('Pysam module not found.') version='1.0' pid=str(os.getpid()+random.randint(0,999999999)) def usage(): print """ USAGE: python tableToTabix.py [options] Options: -i TAB-delimited file -s Sequence name column [1] -c Start column [4] -e End column (can be identical to -c) [5] -m Skip lines starting with [#] -0 Zero based coordinates -S Do not sort input file (sort by default) -b Buffer size (as number of lines) [32000] -t Temporary directory to use (multiple -t may be used) -u Save an uncompressed GFF copy (add _copy suffix) -h Print this help """ try: opts, args = getopt.getopt(sys.argv[1:], "i:Sb:t:hus:c:e:m:0",["help"]) if len(opts)==0: usage() sys.exit(2) except getopt.GetoptError as err: print str(err) # will print something like "option -a not recognized" usage() sys.exit(2) GFFfile='' buffer_size=32000 tempdirs=[] sort=1 mc=0 # save an uncompressed GFF copy, default no scol=0 # sequence column name bcol=3 # start column ecol=4 # end column schar='#' # skip lines starting with this character zcoord=False # zero based coordinated for o, a in opts: if o in ("-h","--help"): usage() sys.exit() elif o == "-i": GFFfile=a outfile='.'.join(GFFfile.split('.')[:-1])+'.sorted.gff' if not os.path.exists(GFFfile): usage() sys.exit('GFF file not found') elif o == "-b": buffer_size=int(a) elif o == "-t": tempdirs.append(a) elif o == "-S": sort=0 elif o == "-u": mc=1 elif o == "-m": schar=a elif o == "-s": scol=int(a)-1 elif o == "-c": bcol=int(a)-1 elif o == "-e": ecol=int(a)-1 elif o == "-0": zcoord=True else: assert False, "Unhandled Option" Keyed = namedtuple("Keyed", ["key", "obj"]) key_=eval('lambda line : (%s)' %('line[:]')) def gk(key,obj): ik=itemgetter(scol,bcol,ecol)(obj.split('\t')) return key((ik[0],int(ik[1]),int(ik[2]))) def merge(key=None, *iterables): # based on code posted by Scott David Daniels in c.l.p. # http://groups.google.com/group/comp.lang.python/msg/484f01f1ea3c832d #print iterables if key is None: keyed_iterables = iterables else: keyed_iterables = [(Keyed(gk(key,obj), obj) for obj in iterable) for iterable in iterables] #print keyed_iterables for element in heapq.merge(*keyed_iterables): yield element.obj def batch_sort(input, output, key=None, buffer_size=32000, tempdirs=None): if tempdirs is None: tempdirs = [] if not tempdirs: tempdirs.append(gettempdir()) chunks = [] xx=0 try: with open(input,'rb',64*1024) as input_file: input_iterator = iter(input_file) for tempdir in cycle(tempdirs): current_chunk2=[] for j in islice(input_iterator,buffer_size): if j.startswith('Region'): continue if j.startswith(schar): continue l=(j.strip()).split('\t') l[bcol]=int(l[bcol]) l[ecol]=int(l[ecol]) current_chunk2.append(l) current_chunk3=[] for j in sorted(current_chunk2, key=itemgetter(scol,bcol,ecol)): j[bcol]=str(j[bcol]) j[ecol]=str(j[ecol]) current_chunk3.append('\t'.join(j)+'\n') xx+=len(current_chunk3) if not current_chunk3: break sys.stdout.write("Loaded and sorted %i lines.\n"%(xx)) output_chunk = open(os.path.join(tempdir,'%06i_%s'%(len(chunks),pid)),'w+b',64*1024) chunks.append(output_chunk) output_chunk.writelines(current_chunk3) output_chunk.flush() output_chunk.seek(0) sys.stdout.write("Merging from %i files.\n"%(len(chunks))) with open(output,'wb',64*1024) as output_file: output_file.writelines(merge(key, *chunks)) finally: for chunk in chunks: try: chunk.close() os.remove(chunk.name) except Exception: pass script_time=time.strftime("%d/%m/%Y %H:%M:%S", time.localtime(time.time())) sys.stdout.write("Script time --> START: %s\n"%(script_time)) if sort: sys.stdout.write("Sorting GFF file...\n") batch_sort(GFFfile,outfile,key_,buffer_size,tempdirs) GFFfile=outfile if mc: copyfile=GFFfile+'_copy' shutil.copyfile(GFFfile,copyfile) sys.stdout.write("A copy of uncompressed GFF file has been saved on %s.\n" %(copyfile)) sys.stdout.write("Indexing GFF file...\n") GFFfile=pysam.tabix_index(GFFfile,seq_col=scol, start_col=bcol, end_col=ecol, zerobased=zcoord) sys.stdout.write("Tabix file saved on %s.\n" %(GFFfile)) sys.stdout.write("Indices saved on %s.tbi.\n" %(GFFfile)) script_time=time.strftime("%d/%m/%Y %H:%M:%S", time.localtime(time.time())) sys.stdout.write("Script time --> END: %s\n"%(script_time))
RNAEDITINGPLUS/main
node/reditools-1.0.4/reditools/tableToTabix.py
Python
apache-2.0
5,802
[ "pysam" ]
9f304c4f8d5e0d238507680e629f014fbcbe0f8c934e4ef770ee787ac9b74d5a
#!/usr/bin/env python2 desc="""Fetch all entries from SRA for given taxid. Save the biggest run per each SAMPLE (SRS) from given date. Paired first, if any. Note, it run fastq-dump in background. Make sure you have enough free cores;) DEPENDENCIES: Biopython """ epilog="""Author: l.p.pryszcz+git@gmail.com Barcelona/Warsaw, 2/10/2012 """ changelog=""" 1.1: - argparse - """ import argparse, os, sys from datetime import datetime #from optparse import OptionParser from ftplib import FTP from Bio import Entrez import xml.etree.ElementTree as ET def srr2info( srr ): """Return info for SRR entry - experiment id - submission id - project id - biosample id - run date - bases - insert size - insert std - reads orientation """ ''' for child in root[0]: print child.tag, child.attrib EXPERIMENT {'center_name': 'BI', 'alias': '74116.WR23613.Solexa-42619.62C7UAAXX100916.P', 'accession': 'SRX026545'} SUBMISSION {'submission_date': '2009-06-01T02:01:25Z', 'lab_name': 'Genome Sequencing', 'submission_comment': 'Produced by user cristyn on Sun May 31 22:01:25 EDT 2009', 'alias': 'BI.Streptococcus_pyogenes_Pathogenomics', 'center_name': 'BI', 'accession': 'SRA008647'} STUDY {'center_name': 'BI', 'alias': 'Fusarium_oxysporum_Diversity_RNA_Sequencing_multi_isolate', 'accession': 'SRP002351'} SAMPLE {'center_name': 'BI', 'alias': '74336.0', 'accession': 'SRS190364'} RUN_SET {} root[0][0].keys() ['center_name', 'alias', 'accession'] ''' #search NCBI result = Entrez.read( Entrez.esearch(db="sra",term=srr ) ) if not result['IdList']: sys.stderr.write( " Entrez Error: No results for %s\n" % srr ) return elif len(result['IdList'])>1: sys.stderr.write( " Entrez Warning: Multiple hits for %s: %s\n" % (srr,",".join(result['IdList'])) ) #fetch info from NCBI xml = Entrez.efetch( db="sra",id=result['IdList'][0] ).read() root = ET.fromstring(xml)#; print xml #get experiment EXPERIMENT = root[0].find("EXPERIMENT") srx = EXPERIMENT.attrib['accession'] #get submission s = root[0].find("SUBMISSION") sra = s.attrib['accession'] #get accession s = root[0].find("STUDY") srp = s.attrib['accession'] #get accession s = root[0].find("SAMPLE") srs = s.attrib['accession'] ''' <Element 'RUN_SET' at 0x31a1590> RUN{'run_date': '2010-09-16T04:00:00Z', 'center_name': 'BI', 'total_bases': '3035446384', 'run_center': 'BI', 'accession': 'SRR190806', 'total_spots': '19970042', 'cluster_name': 'public', 'alias': 'BI.PE.100916_SL-XDX_00019_FC62C7UAAXX.7.srf', 'instrument_name': 'SL-XDX', 'published': '2011-04-28 14:48:11', 'static_data_available': '1', 'is_public': 'true', 'load_done': 'true', 'size': '1839421668'} ''' #run data s = root[0].find('RUN_SET') #it's within RUN_SET date = s[0].attrib['run_date'] bases = s[0].attrib['total_bases'] #LIBRARY_LAYOUT - maybe try to simplify it isize=istdv=orient = 0 DESIGN = EXPERIMENT.find("DESIGN") # [2][2][4][0].attrib#; print layout LIBRARY_DESCRIPTOR = DESIGN.find("LIBRARY_DESCRIPTOR") LIBRARY_LAYOUT = LIBRARY_DESCRIPTOR.find("LIBRARY_LAYOUT") PAIRED = LIBRARY_LAYOUT.find("PAIRED") if PAIRED is not None: layout = PAIRED.attrib isize = layout['NOMINAL_LENGTH'] # NOMINAL_LENGTH="476" orient = layout['ORIENTATION'] #ORIENTATION="5\'3\'-3\'5\' istdv = layout['NOMINAL_SDEV'] ##PAIRED NOMINAL_SDEV="149.286" return ( srx,sra,srp,srs,date,bases,isize,istdv,orient ) def xml2data( child,taxid2srs,verbose ): """ """ #get experiment EXPERIMENT = child.find("EXPERIMENT") srx = EXPERIMENT.attrib['accession'] #get submission s = child.find("SUBMISSION") sra = s.attrib['accession'] #get accession s = child.find("STUDY") srp = s.attrib['accession'] #get accession for SAMPLE in child.findall("SAMPLE"): #if SAMPLE.attrib['accession']!= srs = SAMPLE.attrib['accession'] #get taxid SAMPLE_NAME = SAMPLE.find("SAMPLE_NAME") TAXON_ID = SAMPLE_NAME.find("TAXON_ID") taxid = int(TAXON_ID.text) SCIENTIFIC_NAME = SAMPLE_NAME.find("SCIENTIFIC_NAME") #malformed xml? if SCIENTIFIC_NAME is None: return taxid2srs strain = SCIENTIFIC_NAME.text #get strain tag - this may cause problems with non-ENA accessions! SAMPLE_ATTRIBUTES = SAMPLE.find("SAMPLE_ATTRIBUTES") if SAMPLE_ATTRIBUTES is None: continue for SAMPLE_ATTRIBUTE in SAMPLE_ATTRIBUTES.findall("SAMPLE_ATTRIBUTE"): #print SAMPLE_ATTRIBUTE.find("TAG").text if SAMPLE_ATTRIBUTE.find("TAG").text == "strain": #print SAMPLE_ATTRIBUTE.find("VALUE") strain += " %s" % SAMPLE_ATTRIBUTE.find("VALUE").text break if strain!="unidentified organism": break #LIBRARY_LAYOUT - maybe try to simplify it isize=istdv=orient = 0 DESIGN = EXPERIMENT.find("DESIGN") # [2][2][4][0].attrib#; print layout LIBRARY_DESCRIPTOR = DESIGN.find("LIBRARY_DESCRIPTOR") LIBRARY_LAYOUT = LIBRARY_DESCRIPTOR.find("LIBRARY_LAYOUT") PAIRED = LIBRARY_LAYOUT.find("PAIRED") if PAIRED is not None: layout = PAIRED.attrib isize = 0 if 'NOMINAL_LENGTH' in layout: isize = float( layout['NOMINAL_LENGTH'] ) # NOMINAL_LENGTH="476" elif not verbose: sys.stderr.write( " %s: Paired run and no or zero insert. Skipped!\n" % srx ) istdv = 0 if 'NOMINAL_SDEV' in layout: istdv = float( layout['NOMINAL_SDEV'] ) ##PAIRED NOMINAL_SDEV="149.286" elif verbose: sys.stderr.write( " %s: Paired run and no NOMINAL_SDEV\n" % srx ) orient = "" if 'ORIENTATION' in layout: orient = layout['ORIENTATION'] #ORIENTATION="5\'3\'-3\'5\' elif verbose: sys.stderr.write( " %s: Paired run and no orientation\n" % srx ) #run data runs = [] RUN_SET = child.find('RUN_SET') #it's within RUN_SET for RUN in RUN_SET.findall("RUN"): srr = RUN.attrib['accession'] date = "" if 'run_date' in RUN.attrib: date = RUN.attrib['run_date'] elif verbose: sys.stderr.write( " %s (%s): No run date!\n" % (srx,srr) ) bases = 0 if 'total_bases' in RUN.attrib: bases = int( RUN.attrib['total_bases'] ) elif verbose: sys.stderr.write( " %s (%s): No total bases!\n" % (srx,srr) ) runs.append( (srr,bases,date) ) #store data childdata = ( strain,taxid,srx,srp,isize,istdv,orient,runs ) if verbose: sys.stderr.write( " %s: %s: %s\n" % (taxid,srs,str(childdata)) ) if not taxid in taxid2srs: taxid2srs[taxid] = {} if not srs in taxid2srs[taxid]: taxid2srs[taxid][srs] = [] taxid2srs[taxid][srs].append( childdata ) return taxid2srs def taxid2runs(outfn, taxid, verbose, term, db="sra", retmode="xml", retmax=10**6): """Return info from SRA for given taxid. """ taxid2srs = {} #search NCBI if verbose: sys.stderr.write("Query: %s\n" % term) result = Entrez.read( Entrez.esearch( db=db,term=term,retmax=retmax ) ) ids = result['IdList'] if not ids: sys.stderr.write( " Entrez Error: No results for %s\n" % taxid ) return if verbose: sys.stderr.write( "Downloading %s entries from NCBI %s database...\n" % ( len(ids),db ) ) #post NCBI query '''search_handle = Entrez.epost( db,id=",".join( ids ) ) search_results = Entrez.read( search_handle ) webenv,query_key = search_results["WebEnv"], search_results["QueryKey"] #fetch info from NCBI xml = Entrez.efetch( db=db,retmode=retmode,retmax=retmax,webenv=webenv,query_key=query_key ).read() root = ET.fromstring( xml ) for child in root: #update dict srs2exp = xml2data( child,srs2exp,verbose )''' for id in ids: xml = Entrez.efetch( db=db,retmode=retmode,id=id ).read()#; print xml root = ET.fromstring( xml ) child = root[0] taxid2srs = xml2data( child,taxid2srs,verbose ) #print output out = open( outfn,"w" ) header = "#Strain\tTaxid\tSample\tExperiment\tProject\tInsert size\tOrientation\tRun\tBases\tDate\n" out.write( header ) sys.stderr.write( "Saving SRA info to: %s\n" % outfn ) for taxid in taxid2srs: for srs in taxid2srs[taxid]: for strain,taxid,srx,srp,isize,istdv,orient,runs in taxid2srs[taxid][srs]: for srr,bases,date in runs: line = u"%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\n" % (strain,taxid,srs,srx,srp,isize,orient,srr,bases,date) out.write( line.encode('ascii', 'xmlcharrefreplace') ) out.close() return taxid2srs def srr2fastq( odir,srr,srs,srx,ncbitimestamp,isize,ftpdomain,verbose ): """Fetch file.""" #connect to ftp ftp = FTP(ftpdomain) ftp.login('anonymous', '') #create outdir outdir = os.path.join( odir,srs,srx ) if not os.path.isdir( outdir ): os.makedirs( outdir ) #get nice date timestamp date = datetime.strptime( ncbitimestamp,"%Y-%m-%dT%H:%M:%SZ" ) tstamp = date.strftime("%Y%m%d") #ftp://ftp-trace.ncbi.nlm.nih.gov/sra/sra-instant/reads/ByRun/sra/SRR/SRR540/SRR540367 remotefpath = "sra/sra-instant/reads/ByRun/sra/SRR/%s/%s/%s.sra" % ( srr[:6],srr,srr ) localfpath = os.path.join( outdir,"%s_%s.sra" % ( tstamp,srr) ) if not os.path.isfile( localfpath ): if verbose: sys.stdout.write( " %s > %s\n" % ( remotefpath,localfpath ) ) #fetch file lfile = open( localfpath,"w" ) ftp.retrbinary( "RETR %s" % remotefpath, lfile.write ) lfile.close() else: if verbose: sys.stdout.write( " File exists: %s\n" % ( localfpath, ) ) #get paired if insert size fastq if isize: cmd = "fastq-dump --gzip --split-3 -O %s %s 2>&1 > %s.log &" % ( outdir,localfpath,localfpath ) fqfn1 = "%s_1.fastq.gz" % localfpath[:-4] fqfn2 = "%s_2.fastq.gz" % localfpath[:-4] if not os.path.isfile(fqfn1) or not os.path.isfile(fqfn2): if verbose: sys.stderr.write( " %s\n" % cmd ) os.system( cmd ) else: cmd = "fastq-dump --gzip -O %s %s 2>&1 > %s.log &" % ( outdir,localfpath,localfpath ) fqfn1 = "%s.fastq.gz" % localfpath[:-4] if not os.path.isfile(fqfn1): # or not os.path.isfile(fqfn2): if verbose: sys.stderr.write( " %s\n" % cmd ) os.system( cmd ) def get_runs( taxid2srs,ftpdomain,orientth,maxisize,paired,minbases,verbose ): """Select the best run for each uniq taxid-srs-date combination """ if verbose: sys.stderr.write( "Fetching best run for each uniq taxid-srs-date combination...\n" ) #select the best run for each uniq taxid-srs-date combination for taxid in taxid2srs: for srs in taxid2srs[taxid]: date2runs={} for strain,taxid,srx,srp,isize,istdv,orient,runs in taxid2srs[taxid][srs]: #check if paired if paired: if not isize: continue #skip if wrong orientation if orientth and orientth!=orient: continue #skip big insert size or not paired if maxisize: if isize>maxisize: continue #add runs passed filtering for srr,bases,date in runs: #skip if too small yield if bases < minbases*10**6: continue if date not in date2runs: date2runs[date]=[] date2runs[date].append( (srr,srx,srp,isize,bases) ) #process best run for each uniq taxid-srs-date combination for date in date2runs: # fltruns = filter( lambda x: x[3]!=0, date2runs[date] ) if not fltruns: fltruns = date2runs[date] #sort by size bestrun = sorted( fltruns,key=lambda x: x[-1],reverse=True )[0] #print bestrun,date2runs[date] srr,srx,srp,isize,bases = bestrun #fetch odir = "taxid%s" % taxid srr2fastq( odir,srr,srs,srx,date,isize,ftpdomain,verbose ) def main(): usage = "%(prog)s -v" parser = argparse.ArgumentParser(usage=usage, description=desc, epilog=epilog) parser.add_argument("-v", dest="verbose", default=False, action="store_true", help="verbose") parser.add_argument('--version', action='version', version='1.1') parser.add_argument("-d", "--download", default=False, action="store_true", help="download SRA files") parser.add_argument("-t", "--taxid", type=int, required=True, help="taxid of interest " ) parser.add_argument("-f", dest="ftp", default="ftp-trace.ncbi.nih.gov", help="ftp server address [%(default)s]" ) parser.add_argument("-e", "--email", default="lpryszcz@crg.es", type=str, help="email address [%(default)s]" ) parser.add_argument("-o", dest="orient", default="5'3'-3'5'", help="orientation [%(default)s]" ) parser.add_argument("-m", dest="maxisize", default=1000, type=int, help="max allowed insert [%(default)s]" ) parser.add_argument("-b", dest="minbases", default=600, type=int, help="min Mbases in run [%(default)s Mbases -> 10x for 60Mb genome]" ) parser.add_argument("-p", "--paired", default=False, action="store_true", help="fetch only paired runs" ) parser.add_argument("-t", "--term", default="txid%s[organism] AND dna_data[filter] AND sra_public[filter] AND type_genome[filter]" help="NCBI term [%(default)s]" ) term = % taxid o = parser.parse_args() if o.verbose: sys.stderr.write( "Options: %s\n" % str(o) ) Entrez.email = o.email #get all runs for taxid outfn = "sra.tsv" taxid2srs = taxid2runs(outfn, o.taxid, o.term%taxid, o.verbose) if o.download: #fetch best srr get_runs(taxid2srs, o.ftp, o.orient, o.maxisize, o.paired, o.minbases, o.verbose) if __name__=='__main__': t0 = datetime.now() main() dt = datetime.now()-t0 sys.stderr.write( "#Time elapsed: %s\n" % dt )
lpryszcz/bin
taxid2sra.py
Python
gpl-3.0
15,103
[ "Biopython" ]
0e02698442997ebbdd96f099d680cdb3329cd4c81ee680ff16315d8dfdc1840d
from __future__ import print_function import os import numpy as np from astropy.table import Table from astropy.io import fits from .. import fileio from .starpop import StarPop from .asts import parse_pipeline from ..angst_tables import angst_data from ..astronomy_utils import mag2Mag __all__ = ['Galaxy'] class Galaxy(StarPop): '''angst and angrrr galaxy object''' def __init__(self, fname): self.base, self.name = os.path.split(fname) StarPop.__init__(self) # name spaces self.load_data(fname) def load_data(self, fname): if fname.endswith('fits'): self.data = fits.getdata(fname) else: self.data = Table.read(fname) self.target, self.filters = parse_pipeline(fname) def trgb_av_dmod(self, filt): '''returns trgb, av, dmod from angst table''' return angst_data.get_tab5_trgb_av_dmod(self.target, filt) def check_column(self, column, loud=False): vomit = '' if loud: vomit = ', '.join(self.dtype.names) assert column.upper() in self.data.dtype.names, \ '{} not found. {}'.format(column, vomit) def absmag(self, column, filt, photsys=None, dmod=None, Av=None): self.check_column(column) if dmod is None: _, av, dmod = self.trgb_av_dmod(filt) if Av is None: Av = av if photsys is None: if 'ACS' in column.upper(): photsys = 'acs_wfc' elif 'IR' in column.upper(): photsys = 'wfc3ir' return mag2Mag(self.data[column], filt, photsys=photsys, dmod=dmod, Av=Av)
philrosenfield/ResolvedStellarPops
galaxies/galaxy.py
Python
bsd-3-clause
1,664
[ "Galaxy" ]
fbd0e51f96061d1a83752dac4c068cddf5604a85b59fbe886e3d0cdb29dfca7a
# -*- Mode: Python; coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2007 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program is free software; you can redistribute it and/or modify ## it under the terms of the GNU General Public License as published by ## the Free Software Foundation; either version 2 of the License, or ## (at your option) any later version. ## ## This program is distributed in the hope that it will be useful, ## but WITHOUT ANY WARRANTY; without even the implied warranty of ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the ## GNU General Public License for more details. ## ## You should have received a copy of the GNU General Public License ## along with this program; if not, write to the Free Software ## Foundation, Inc., or visit: http://www.gnu.org/. ## ## Author(s): Stoq Team <stoq-devel@async.com.br> ## from zope.interface import implementer from stoqlib.database.migration import PluginSchemaMigration from stoqlib.lib.interfaces import IPlugin from stoqlib.lib.pluginmanager import register_plugin @implementer(IPlugin) class ECFPlugin(object): name = u'ecf' def __init__(self): self.ui = None # # IPlugin # def get_migration(self): return PluginSchemaMigration(self.name, 'ecf', 'sql', ['*.sql', '*.py']) def get_tables(self): return [('ecfdomain', ["ECFPrinter", "DeviceConstant", "FiscalSaleHistory", "ECFDocumentHistory"])] def activate(self): # Do this in a nested import so we can import the plugin without # importing gtk. from ecf.ecfui import ECFUI self.ui = ECFUI() def get_dbadmin_commands(self): return [] def handle_dbadmin_command(self, command, options, args): assert False register_plugin(ECFPlugin)
tiagocardosos/stoq
plugins/ecf/ecfplugin.py
Python
gpl-2.0
1,914
[ "VisIt" ]
3e5d0055e121231f1c061862eb508e59d605eb5fdc77fdc5e5490c94a7e1e9fb
from constants import * from operator import itemgetter import web import os import codecs import urllib from models import * # Form Handlers LoginForm = web.form.Form( web.form.Textbox('ra', web.form.notnull, Class="form-control"), web.form.Password('senha', web.form.notnull, Class="form-control"), web.form.Button('login', Class="btn btn-primary"), ) RegisterForm = web.form.Form( web.form.Textbox('RA', web.form.notnull, Class="form-control"), web.form.Textbox('Nome', web.form.notnull, Class="form-control"), web.form.Textbox('E-mail', web.form.notnull, Class="form-control"), web.form.Password('Senha', web.form.notnull, Class="form-control"), web.form.Button('Login', Class="btn btn-primary"), ) SearchForm = web.form.Form( web.form.Textbox('Busca', Class="form-control"), ) ForgottenForm = web.form.Form( web.form.Textbox('email', web.form.notnull, Class="form-control"), web.form.Button('Enviar', Class="btn btn-primary"), ) ConfirmationForm = web.form.Form( web.form.Textbox('Codigo de confirmacao', web.form.notnull, Class="form-control"), web.form.Button('Submeter', Class="btn btn-primary"), ) UserForm = web.form.Form( web.form.Textbox('RA', web.form.notnull, Class="form-control"), web.form.Textbox('Nome', web.form.notnull, Class="form-control"), web.form.Password('Current', Class="form-control"), web.form.Password('New', Class="form-control"), web.form.Password('Repeat', Class="form-control"), web.form.Button('Login', Class="btn btn-primary"), ) semesters = [] teachers = [] subjects = [] def UpdateLists(): S = sessionmaker(bind=DB)() SemestersList = S.query(Semester).order_by(Semester.id) TeachersList = S.query(Teacher).order_by(Teacher.name) SubjectsList = S.query(Subject).order_by(Subject.code) for Line in SemestersList: sem = '%s semestre de %s' % (Line.sem, Line.year) if (Line.id,sem) not in semesters: semesters.insert(-1,(Line.id,sem)) for Line in TeachersList: t = '%s' % (Line.name) if (Line.id,t) not in teachers: teachers.insert(-1,(Line.id,t)) for Line in SubjectsList: sub = '%s %s' % (Line.code, Line.name) if (Line.id,sub) not in subjects: subjects.insert(-1,(Line.id,sub)) sorted(semesters, key=itemgetter(1)) sorted(teachers, key=itemgetter(1)) sorted(subjects, key=itemgetter(1)) DeleteTeacher = web.form.Form( web.form.Dropdown('Professores', args = teachers), web.form.Button('Submeter', Class="btn btn-primary")) DeleteSemester = web.form.Form( web.form.Dropdown('id', args = semesters), web.form.Button('Submeter', Class="btn btn-primary")) DeleteSubject = web.form.Form( web.form.Radio('id', args = subjects), web.form.Button('Submeter', Class="btn btn-primary")) AddOffering = web.form.Form( web.form.Dropdown('Semestre', args = semesters), web.form.Dropdown('Disciplina', args = subjects), web.form.Dropdown('Professor', args = teachers), web.form.Textbox('Turma', web.form.notnull), web.form.Textbox('Matriculados', web.form.notnull), web.form.Button('Submeter', Class="btn btn-primary")) AddSemester = web.form.Form( web.form.Dropdown('Semestre', [('1','primeiro'), ('2','segundo')]), web.form.Textbox('Ano', web.form.notnull), web.form.Button('Submeter', Class="btn btn-primary")) AddTeacher = web.form.Form( web.form.Textbox('Nome', web.form.notnull), web.form.Button('Submeter', Class="btn btn-primary")) AddSubject = web.form.Form( web.form.Textbox('Codigo', web.form.notnull), web.form.Textbox('Nome', web.form.notnull), web.form.Textbox('Creditos', web.form.notnull), web.form.Textbox('Ementa', web.form.notnull), web.form.Button('Submeter', Class="btn btn-primary")) RateOffering = web.form.Form( web.form.Textbox('Respostas'), web.form.Textbox('Coluna11'), web.form.Textbox('Coluna12'), web.form.Textbox('Coluna13'), web.form.Textbox('Coluna14'), web.form.Textbox('Coluna15'), web.form.Textbox('Coluna16'), web.form.Button('Submeter', Class="btn btn-primary")) #MyForm = web.form.Form( #form.Textbox("boe"), #form.Textbox("bax", #form.notnull, #form.regexp('\d+', 'Must be a digit'), #form.Validator('Must be more than 5', lambda x:int(x)>5)), #form.Textarea('moe'), #form.Checkbox('curly'), #web.form.Button('Submeter1', Class="btn btn-primary")),
rodrigosurita/gda
forms.py
Python
gpl-3.0
4,488
[ "MOE" ]
c28366a9f6349dcbbae45e4113142b350e73184f5314be94d3384d7f88f95619
#Copyright (c) 2014, Ben Goodrich #All rights reserved. # #Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: # #1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.# # #2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. # #THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE #DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR #SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF #THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. from nnet import * import numpy as np import cudamat as cm #from cudamat import learn as cl class net_cuda(net): def __init__(self,layer,step_size=None,dropout=None): #TODO: should probably put cudamat initialization elsewhere #in case it is used by more than one network cm.cuda_set_device(0) cm.init() super(net_cuda,self).__init__(layer,step_size,dropout) def initialize_weights(self): super(net_cuda,self).initialize_weights() for index,l in enumerate(self.layer): l.weights = cm.CUDAMatrix(l.weights) def zero_gradients(self): #TODO: make empty matrix and set it to 0 for l in self.layer: l.gradient = cm.CUDAMatrix(np.zeros(l.weights.shape)) @property def input(self): return self._input @input.setter def input(self,value): self._input = value self._input = cm.CUDAMatrix(np.append(value,np.ones((1,value.shape[1])),axis=0)) @input.deleter def input(self): del self._input def feed_forward(self,input=None): #optionally allow passing input as an argument if input is not None: self.input = input for index,l in enumerate(self.layer): if(index == 0): input = self.input else: input = self.layer[index-1].output l.input = input #print(str(index) + " " + str(l.weights.shape) + " " + str(l.input.shape)) l.weighted_sums = cm.dot(l.weights,l.input) #apply activation function if(l.activation == 'squash'): pass #TODO: write kernal for this #l.output = l.weighted_sums / (1+np.abs(l.weighted_sums)) elif(l.activation == 'sigmoid'): l.output = l.weighted_sums.apply_sigmoid() #elif(l.activation == 'linear_rectifier'): # l.output = np.maximum(0,l.weighted_sums) else: #base case is linear l.output = l.weighted_sums #if(l.dropout is not None and self.train == True): # if(l.dropout == 0.5): # l.output = l.output*np.random.randint(0,2,l.output.shape); # else: # l.output = l.output*np.random.binomial(1,l.dropout,l.output.shape); #elif(l.dropout is not None and self.train == False): # l.output = l.output*(1.0 - l.dropout); self.output = self.layer[len(self.layer)-1].output self.output.copy_to_host() self.output = self.output.numpy_array self.output = self.output[0:-1,:] def back_propagate(self,error=None): if(error is not None): self.error = cm.error #python doesn't easily allow reversed(enumerate()) - use this instead for l in reversed(self.layer): #if we're on the last layer #print(str(index)); if(l.index == len(self.layer)-1): delta_temp = cm.CUDAMatrix(np.append(self.error,np.zeros((1,self.error.shape[1])),axis=0)) else: #Possible TODO?: is there a way to get rid of this transpose? it is slow to have to do this #delta_temp = cm.empty((self.layer[l.index+1].weights.shape[1],self.layer[l.index+1].weights.shape[0])) #delta_temp = self.layer[l.index+1].weights.transpose() self.layer[l.index+1].weights.set_trans(True); delta_temp = cm.dot(self.layer[l.index+1].weights,self.layer[l.index+1].delta); self.layer[l.index+1].weights.set_trans(False); if(l.activation == 'squash'): pass #l.activation_derivative = 1.0/((1+np.abs(l.weighted_sums)**2)) elif(l.activation == 'sigmoid'): #l.activation_derivative = cm.empty(l.output.shape); l.output.apply_logistic_deriv(l.output) l.activation_derivative = l.output #elif(l.activation == 'linear_rectifier'): #1 if greater than 0, 0 otherwise. #This stores them as bools - but it doesn't matter #l.activation_derivative = np.greater(l.output,0); else: #base case is linear l.activation_derivative = cm.empty(l.output.shape); l.activation_derivitive.assign_scalar(1.0) #bottom row of activation derivative is the bias 'neuron' l.delta = cm.empty(delta_temp.shape) l.activation_derivative.mult(delta_temp,target=l.delta) #calculate weight gradient #input_t = cm.empty((l.input.shape[1],l.input.shape[0])) #input_t = l.input.transpose() l.input.set_trans(True) l.gradient.add_dot(l.delta,l.input); l.input.set_trans(False) self.epoch_size = self.epoch_size + self.input.shape[1]; def update_weights(self): for l in reversed(self.layer): #l.weight_change = -l.step_size*l.gradient/self.epoch_size; l.gradient.mult(-l.step_size/self.epoch_size) l.weights.add(l.gradient); l.gradient.assign_scalar(0.0); self.epoch_size = 0;
bbitmaster/python_nn_toolkit
nnet_toolkit/nnet_cuda.py
Python
bsd-2-clause
5,709
[ "NEURON" ]
fc7285a0c0a9c6b36f13b5984dca8e7346080e6ffdd4e4803d05b985d3e7d7c2
#!/usr/bin/env python from __future__ import print_function, division #, unicode_literals import os import sys import imp from os.path import join as pj, abspath as absp, exists as pexists, basename, splitext, isfile #try: # import tests as abitests #except ImportError: # Add the directory [...]/abinit/tests to $PYTHONPATH pack_dir, x = os.path.split(absp(__file__)) pack_dir, x = os.path.split(pack_dir) sys.path.insert(0,pack_dir) import tests as abitests del pack_dir, x def tests_from_pymod(pymod_path, abenv): # Import the module mod_name = basename(pymod_path).split(".py")[0] module = imp.load_source(mod_name, pymod_path) # Inspect the module and build the list of tests. tests = list() test_gen = getattr(module,"abinit_test_generator", None) if test_gen is not None: tests.append( PythonTest(abenv, test_gen()) ) suite_gen = getattr(module, "abinit_suite_generator", None) if suite_gen is not None: for test_gen in suite_gen(): tests.append( PythonTest(abenv, test_gen) ) assert tests return tests class PythonTest(object): _attrbs = [ "test_func", #"pyscript" #"name", ] def __init__(self, abenv, dictionary): self.abenv = abenv for k in PythonTest._attrbs: self.__dict__[k] = dictionary.get(k, None) assert self.test_func is not None self.info = self.test_func.__doc__ assert self.info is not None # TODO: Import conditions. def __str__(self): return "\n".join( [ str(k) + " : " + str(v) for k,v in self.__dict__.items()] ) def run(self, workdir=None): if workdir is None: workdir = os.path.abspath(os.curdir) self.workdir = workdir print(self.info +"...",) #stderr_fname = pj(workdir, self.name + ".stderr") #stdout_fname = pj(workdir, self.name + ".stdout") #self.stderr = open(stderr_fname, "w") #self.stdout = open(stdout_fname, "w") from StringIO import StringIO self.stdout, self.stderr = StringIO(), StringIO() sys.stdout, sys.stderr = self.stdout, self.stderr try: exit_status = self.test_func(self.abenv) except: import traceback var = traceback.format_exc() #print(self.name + ": " + var) print(var) exit_status = 99 self.stdout.seek(0) self.stderr.seek(0) #self.stderr.close() #self.stdin.close() # Reinstate stdout and stderr. sys.stdout, sys.stderr = sys.__stdout__ , sys.__stderr__ #print("stdout:") #print(self.stdout.read()) #print( "stderr:") #print( self.stderr.read()) #print( "done") if exit_status != 0: # Check reference files. print(" (Comparing with reference files)") #FIXME: I need to change the name of the reference files. #print self.stdout.read() #print self.stderr.read() ref_dir = self.abenv.apath_of("tests/abirules/Refs") #for idx, ext in enumerate(["", ".stdout", ".stderr"]): #for idx, ext in enumerate([""]): for idx, ext in enumerate([]): #ref_file = pj(ref_dir, self.name + ext) ref_file = pj(ref_dir, "t01.out") if not isfile(ref_file): continue fh = open(ref_file, "r") ref_lines = fh.readlines() fh.close() if idx == 0: from_lines = self.stdout.readlines() if idx == 1: from_lines = self.stderr.readlines() import difflib diff = difflib.unified_diff(from_lines, ref_lines) #, fromfile, tofile, fromdate, todate, n=n) diff = list(diff) for l in diff: print l exit_status = 0 if len(diff) != 0: exit_status = 1 self.exit_status = exit_status if exit_status != 0: print("FAILED") else: print("SUCCESS") return self.exit_status def run_abirules_suite(): abenv = abitests.abenv import abirules script_dir = abenv.apath_of("special/scripts/") scripts = [ absp(pj(script_dir,s)) for s in abirules.pyscripts ] exit_status = 0 for script in scripts: tests = tests_from_pymod(script, abenv) for test in tests: retval = test.run() if retval != 0 : exit_status = retval return exit_status def run_buildsys_suite(): abenv = abitests.abenv import buildsys script_dir = abenv.apath_of("special/scripts/") scripts = [ absp(pj(script_dir,s)) for s in buildsys.pyscripts ] exit_status = 0 for script in scripts: tests = tests_from_pymod(script, abenv) for test in tests: retval = test.run() if retval != 0 : exit_status = retval return exit_status if __name__ == "__main__": #print 30*"=" + " buildsys_tests " + 30*"=" #run_buildsys_suite() print(30*"=" + " abirules_tests " + 30*"=") run_abirules_suite()
SamKChang/abinit-7.10.5_multipole
tests/pytests.py
Python
gpl-3.0
4,694
[ "ABINIT" ]
717b64da7871dfa8301bc1ef1820b611ddb391c812380e5dbcc08b39297009fe
import numpy as np import netCDF4 as ncd FILL_VALUE = None def new(filename): ''' Return the netcdf4-python rootgroup for a new netcdf file for writing. ''' return ncd.Dataset(filename, 'w', clobber=False) def add_coordinates(nc, dict_of_dims): ''' Create dimensions in netcdf file nc. >> add_coordinates(nc, {"time", (5040,)}) ''' # Loop through keys, and add each as a dimension, with the # cooresponding dict value tuple as the representative # shape of the dimension. for dimname in dict_of_dims.iterkeys(): t = nc.createDimension(dimname, size=dict_of_dims[dimname]) nc.sync() def add_variable(nc, varname, data, dims, compress=False, fill=FILL_VALUE): ''' Thin wrapper for easily adding data to netcdf variable with just the variable name the current array of values, and a tuple with the cooresponding dimension names ''' v = nc.createVariable(varname, data.dtype, dimensions=dims, zlib=compress, fill_value=fill) v[:] = data nc.sync() def add_scalar(nc, varname, data, compress=False, fill=FILL_VALUE): ''' Functionality to simply add a scalar variable to a netcdf file, expects a numpy array of length 1 for the data argument. ''' v = nc.createVariable(varname, data.dtype, zlib=compress, fill_value=fill) v[:] = data nc.sync() def add_attribute(nc, key, value, var=None): ''' Take in a single attname:value pair and write into the global or variable namespace ''' if var==None: nc.setncattr(key, value) else: if not key in set([ "_FillValue", "_ChunkSize" ]): nc.variables[var].setncattr(key, value) nc.sync() def add_attributes(nc, attrs, var=None): ''' Take in a dict of attname:value pairs and write the whole dict into the global or variable namespace ''' if var==None: nc.setncatts(attrs) else: nc.variables[var].setncatts(attrs) nc.sync()
asascience-open/paegan
paegan/cdm/writer.py
Python
gpl-3.0
1,992
[ "NetCDF" ]
6e9c24ac3801087fca16339e943fa3be8f30eef79484751d3162c95df95313fc
# ################################################################ # # Active Particles on Curved Spaces (APCS) # # Author: Silke Henkes # # ICSMB, Department of Physics # University of Aberdeen # Author: Rastko Sknepnek # # Division of Physics # School of Engineering, Physics and Mathematics # University of Dundee # # (c) 2013, 2014 # # This program cannot be used, copied, or modified without # explicit permission of the author. # # ################################################################ # Integrator code for batch processing of full data runs (incorporating parts of earlier analysis scripts) # Data interfacing from read_data import * from read_param import * # Pre-existing analysis scripts from nematic_analysis import * #from glob import glob # This is the structured data file hierarchy. Replace as appropriate (do not go the Yaouen way and fully automatize ...) basefolder='/home/silke/Documents/CurrentProjects/Rastko/nematic/data/' #basefolder = '/home/silke/Documents/CurrentProjects/Rastko/nematic/data/J_1_0_v0_1_0/' #outfolder= '/home/silke/Documents/CurrentProjects/Rastko/nematic/data/J_1_0_v0_1_0/' outfolder = '/home/silke/Documents/CurrentProjects/Rastko/nematic/data/' #v0val=['0.3','0.5','0.7','1.5','2.0','3.0','7.0','10.0'] v0val=['0.3','0.5','0.7','1.5'] sigma=1 rval=['8.0'] nstep=10100000 nsave=5000 nsnap=int(nstep/nsave) #skip=835 skip=0 for r in rval: for v0 in v0val: #param = Param(basefolder) files = sorted(glob(basefolder+'R_'+ r+ '/v0_' + v0 + '/sphere_*.dat'))[skip:] defects=np.zeros((len(files),12)) ndefect=np.zeros((len(files),1)) u=0 for f in files: print f outname =outfolder +'R_'+ r+ '/v0_' + v0 + '/frame_data' + str(u)+'.vtk' defects0,ndefect0=getDefects(f,float(r),sigma,outname,False,False) defects[u,0:3]=defects0[0,:] defects[u,3:6]=defects0[1,:] defects[u,6:9]=defects0[2,:] defects[u,9:12]=defects0[3,:] ndefect[u]=ndefect0 #outname = '.'.join((f).split('.')[:-1]) + '_defects.vtk' #outname =outfolder +'R_'+ r+ '/v0_' + v0 + '/frame_defects' + str(u)+'.vtk' #print outname #writeDefects(defects0,ndefect0,outname) u+=1 outfile2=outfolder + 'defects_v0_' + v0 + '_R_'+ r+ '.dat' np.savetxt(outfile2,np.concatenate((ndefect,defects),axis=1),fmt='%12.6g', header='ndefect defects')
sknepneklab/SAMoS
analysis/batch_nematic/batch_analyze_nematic_R8a.py
Python
gpl-3.0
2,379
[ "VTK" ]
551f8ffc53ace3fa812b479f510d3798652b82912ffc21a84da48367a607375a
#!/usr/bin/python """ PYCAL v1.01 changelog: - TODO view met de hele maand -> cal.. TODO kleuren systeem voor iets gebruiken TODO ondersteuning voor verschillende agenda's TODO een -C functie voor de config file... en dan het absolute pad TODO beter aangeven waar hij de todo opslaagt en de config import ook doen voor vanaf de iphone TODO bij add als er geen event is gegeven een goede error TODO wat als er een false is? dus bij elk functiegebruik een false optie en een deftige error msg TODO rm optie of replace optie? -> alleen event vervangen? TODO sterretje of reoccuring TODO update systeem uit gcal? TODO balkjes interface voor ls?? (low prior) """ import os import fileinput, sys import datetime from datetime import date import sys #TODO: include file met birthdays etc... from config import * #TODO :sterretje def isnumber(testval): try: int(testval) return True except ValueError: return False def extract_timepoints_fromline(line): return line[:line.find(" ")] def extract_startendpoint(timepointsstring): #takes the argument and splits it if necesairy to te start and end. if timepointsstring.count("-") == 1: split_place = timepointsstring.find("-") start_point = timepointsstring[:split_place] end_point = timepointsstring[split_place+1:] else: #print("Incorrect number of times specified") return timepointsstring, timepointsstring; #fixed here return start_point, end_point; def extract_daymonthyear(datestring): #takes the datestring and turns it into day month year #00.00.00 00.00 00 day="" month="" year="" datearray = datestring.split(".") len_datearray=len(datearray) if len_datearray < 4: day = datearray[0] else: print("Too much dots in date specification") return False; if len_datearray > 1: month = datearray[1] if len_datearray == 3 : year = datearray[2] return day, month, year; def extract_hourminutes(hourminutesstring): #takes a format of 0000 and extracts an hour and minutes from it. hour = hourminutesstring[:2] minutes = hourminutesstring[2:] return hour, minutes; def fill_zero(x): if len(x) == 1: x = "0"+x return x; def create_date(day, month, year): day= str(day) if len(day) == 1: day = "0" + day month =str(month) if len(month) ==1: month = "0"+ month year = str(year) day = fill_zero(day) month = fill_zero(month) return day + '.' + month + '.' + year; def checkday(day): if 0 < day < 32: return True; else: print("ERROR: Day is out of boundries") return False; def checkmonth(month): if 0 < month < 13: return True; else: print("ERROR: Month is out of boundries") return False; ####Function Usage beyond this line def checkandfill_blankdate(day, month, year, time, followday, followmonth, followyear, followtime): #input check, bij elke ingevulde waarde -> defenities van maken start = False if followday == "": #in geval van start, anders is het gewoon de startdatum in het end piping start = True followdate = datetime.datetime.now() followday = int(followdate.strftime("%d")) followmonth = int(followdate.strftime("%m")) followyear = int(followdate.strftime("%y")) followtime = 0 #Hier heb ik zowiso ne followtime van alles. time = int(time) followtime = int(followtime) if year =="": if month == "": if day == "": if time <= followtime: #extra if if start != True: followday = followday+1 day = followday else: time = int(time) if isnumber(day): day = int(day) if checkday(day) == False: return False; if day < followday: followmonth= followmonth + 1 else: return False; month = followmonth if month > 12: month = 1 followyear = followyear + 1 else: time = int(time) if isnumber(day): day = int(day) if checkday(day) == False: return False; else: return False; if isnumber(month): month = int(month) if checkmonth(month) == False: return False; if month < followmonth: followyear= followyear + 1 else: return False; nextmonth = month + 1 nextmonth_year = followyear if nextmonth > 12: nextmonth = 1 nextmonth_year = nextmonth_year + 1 if day > (date(nextmonth_year, nextmonth , 1) - date(followyear, month, 1)).days: day = 1 month = month + 1 if month > 12: month = 1 followyear = followyear + 1 year = followyear else: if isnumber(day): day = int(day) if checkday(day) == False: return False; else: return False; if isnumber(month): month = int(month) if checkmonth(month) == False: return False; else: return False; if isnumber(year): year = int(year) """print(day, month, year, time) print(followday, followmonth, followyear, followtime) continue_test = False if year > followyear: continue_test = True elif year == followyear: if month > followmonth: continue_test = True elif month == followmonth: if day > followday: continue_test = True elif day == followday: if time > followtime: continue_test = True if continue_test!=True: print("ERROR: Event ends before it starts") return False;""" return day, month, year; def extract_time(timestring): #takes the timesrting and makes it a good formatted (0000) time len_timestring = len(timestring) if len_timestring ==4: time = timestring elif len_timestring==2: time = timestring + "00" elif len_timestring==3: time = "0" + timestring elif len_timestring == 1: time = "0" + timestring + "00" elif len_timestring==0: time = "0000" else: print("Specified time-format too long") return False; return time; def extract_datetime(pointstring): #datetimestring = uit het eerste argument alles voor de - #this function processes everything to a Type of event, day, month, year and time pointstring_count=pointstring.count(":") if pointstring_count==0: time = extract_time("") date = pointstring elif pointstring_count==1: split_place = pointstring.find(":") date = pointstring[:split_place] time = extract_time(pointstring[split_place+1:]) else: print("Incorrect format of time") return False; return date, time; def filter_lines_date(calendar, day, month, year, ask_date): ls = [] f = open(calendar, 'r') line_nr = 1 for line in f: add = False add_start = False check = False #TODO: here it is not possible to execute the line beneath (start_point, end_point) = extract_startendpoint(extract_timepoints_fromline(line)) (start_date, start_time) = extract_datetime(start_point) (end_date, end_time) = extract_datetime(end_point) (start_day, start_month, start_year) = extract_daymonthyear(start_date) (end_day, end_month, end_year) = extract_daymonthyear(end_date) event = line[line.find(" ")+1:-1] if isnumber(start_day): if isnumber(end_day): if isnumber(start_month): if isnumber(end_month): if isnumber(start_year): if isnumber(end_year): f_start_day = int(start_day) f_end_day = int(end_day) f_start_month = int(start_month) f_end_month = int(end_month) f_start_year = int(start_year) f_end_year = int(end_year) check = True if check == True: if f_start_year < year < f_end_year: add=True else: if f_start_year < year: add_start=True elif f_start_year == year: if f_start_month < month: add_start=True elif f_start_month == month: if f_start_day <= day: add_start=True if add_start==True: if f_end_year > year: add=True elif f_end_year == year: if f_end_month > month: add=True elif f_end_month == month: if f_end_day >=day: add=True #else: #print("error in file: line:" + str(line_nr)) if add==True: ls.append([line_nr, start_date, start_time, end_date, end_time, event]) high_line_nr = line_nr line_nr = line_nr+1 ls.sort(key=lambda x: x[4]) ls.sort(key=lambda x: x[3]) ls.sort(key=lambda x: x[2]) ls.sort(key=lambda x: x[1]) len_ls=len(ls) ls_nr = 0 #TODO #efficienter hieronder door vergelijking te maken met huidige datum om zeveel mogelijk weg te laten, de ls[ls_nr] vervangen door kortere versies en ev de tekeningen erbij steken while ls_nr < len_ls: if ls[ls_nr][1] == ls[ls_nr][3]: print(str(ls[ls_nr][0]) + " "*(len(str(high_line_nr))-len(str(ls[ls_nr][0]))) +"| " + ls[ls_nr][2] + "-" + ls[ls_nr][4] + " |" + ls[ls_nr][5]) elif ask_date == ls[ls_nr][1]: print(str(ls[ls_nr][0]) + " "*(len(str(high_line_nr))-len(str(ls[ls_nr][0]))) + "| " + ls[ls_nr][2] + "-" + ls[ls_nr][3] + ":" + ls[ls_nr][4] + " |" + ls[ls_nr][5]) elif ask_date == ls[ls_nr][3]: print(str(ls[ls_nr][0]) + " "*(len(str(high_line_nr))-len(str(ls[ls_nr][0]))) + "| " + ls[ls_nr][1] + ":" + ls[ls_nr][2] + "-" + ls[ls_nr][4] + " |" + ls[ls_nr][5]) else: print(str(ls[ls_nr][0]) + " "*(len(str(high_line_nr))-len(str(ls[ls_nr][0]))) + "| " + ls[ls_nr][1] + ":" + ls[ls_nr][2] + "-" + ls[ls_nr][3] + ":" + ls[ls_nr][4] + " |" + ls[ls_nr][5]) ls_nr += 1 f.close() return; def list_events_day(calendar, date): if date == "today": translatedate = datetime.datetime.now() day =int(translatedate.strftime("%d")) month=int(translatedate.strftime("%m")) year=int(translatedate.strftime("%y")) date = create_date(day, month, year) print("Today ~" + translatedate.strftime("%a") + " " + date + ':') filter_lines_date(calendar, day, month, year, date) elif date == "0": translatedate = datetime.datetime.now() day =int(translatedate.strftime("%d")) month=int(translatedate.strftime("%m")) year=int(translatedate.strftime("%y")) date = create_date(day, month, year) print("Today ~" + translatedate.strftime("%a") + " " + date + ':') filter_lines_date(calendar, day, month, year, date) elif date[0] == "+": add = int(date[1:]) translatedate = datetime.datetime.now()+ (datetime.timedelta(days=1))*add day =int(translatedate.strftime("%d")) month=int(translatedate.strftime("%m")) year=int(translatedate.strftime("%y")) date = create_date(day, month, year) #print("+"+ str(add) + " ~" + translatedate.strftime("%a") + " " + date + ':') os.system("echo -e '\033[1;34m+"+ str(add) + " ~" + translatedate.strftime("%a") + " " + date + ":\033[0m'") #Here make this print green? of blauw? filter_lines_date(calendar, day, month, year, date) elif date[0] == "-": add = int(date[1:]) translatedate = datetime.datetime.now()- (datetime.timedelta(days=1))*add day =int(translatedate.strftime("%d")) month=int(translatedate.strftime("%m")) year=int(translatedate.strftime("%y")) date = create_date(day, month, year) #print("-"+ str(add) + " ~" + translatedate.strftime("%a") + " " + date + ':') os.system("echo -e '\033[1;34m-"+ str(add) + " ~" + translatedate.strftime("%a") + " " + date + ":\033[0m'") filter_lines_date(calendar, day, month, year, date) ###hier een range met - en dat laten oplossen door de pointstrings en dan inrementies met de translatedate en vergelijken elif date.count("-") == 1: split_place = timepointsstring.find("-") start_point = timepointsstring[:split_place] end_point = timepointsstring[split_place+1:] else: (start_date, start_time) = extract_datetime(date) (start_day, start_month, start_year) = extract_daymonthyear(start_date) day, month, year = checkandfill_blankdate(start_day, start_month, start_year, start_time, "", "", "", "") date = create_date(day, month, year) print(date + ':') ##TODO hier de date naar de echte date omvormen filter_lines_date(calendar, day, month, year, date) """elif date = "monday": elif date = "mon": elif date = "tuesday": elif date = "tue": elif date = "wednesday": elif date = "wed": elif date = "thurday": elif date = "thu": elif date = "friday": elif date = "fri": elif date = "saturday": elif date = "sat": elif date = "sunday": elif date = "sun": else: """ return; def add_event(date, event, calendar): (start_point, end_point) = extract_startendpoint(date) (start_date, start_time) = extract_datetime(start_point) (end_date, end_time) = extract_datetime(end_point) (start_day, start_month, start_year) = extract_daymonthyear(start_date) (end_day, end_month, end_year) = extract_daymonthyear(end_date) start_day, start_month, start_year = checkandfill_blankdate(start_day, start_month, start_year, start_time, "", "", "", "") start_date=create_date(start_day, start_month, start_year) end_day, end_month, end_year = checkandfill_blankdate(end_day, end_month, end_year, end_time, start_day, start_month, start_year, start_time) end_date=create_date(end_day, end_month, end_year) #onderstaande writen naar file append = start_date + ":" + start_time + "-" + end_date + ":" + end_time + " " + event print("ADDED: " +"'"+ append + "'" + " to " + calendar) print("ON LINE:") os.system('echo $(($(wc -l < ' + calendar+ ')+1))') f = open(calendar, "a") f.write(append + "\n") f.close() def delete_event(calendar, line_nr): line_nr= int(line_nr) for line in fileinput.input(calendar, inplace=1, backup='.orig'): if line_nr <= fileinput.lineno() <line_nr+1: pass else: print(line[:-1]) fileinput.close() print("DELETED:") os.system('grep -F -x -v -f '+ calendar + ' ' +calendar+'.orig') #def search_event(calendar, ####SCRIPT beyong this line len_sysargv = len(sys.argv) if len_sysargv == 1: list_events_day(calendarfile , "today") #print today as in day format elif sys.argv[1] == "ls": if len_sysargv == 2: #list of all coming events, measures the widht and if a print line exceeds it will substract it from the amount of screenspace left + 1 line left for the new command #start by printing the next 5 list_events_day(calendarfile , "today") elif len_sysargv == 3: list_events_day(calendarfile , sys.argv[2]) else: print("too much arguments") """elif sys.argv[1] = "list": #same as above""" elif sys.argv[1] == "r": if len_sysargv == 2: for d in range(0,7): list_events_day(calendarfile , '+'+str(d)) if len_sysargv == 3: for d in range(0,int(sys.argv[2])): list_events_day(calendarfile, '+'+str(d)) elif len_sysargv != 2: if sys.argv[1] == "a": arg_event = 3 event = sys.argv[arg_event] arg_event = 4 while arg_event < len_sysargv: event = event + " " + sys.argv[arg_event] arg_event = arg_event+1 add_event(sys.argv[2], event, calendarfile) #add a new event # 2 is zowiso de tijd en 3 is de event en dat aan elkaar plakken in ne file, ni zo moeilijk? """elif sys.argv[1] = "add": elif sys.argv[1] = "d": elif sys.argv[1] = "day": #Whole day start_hour = 0000 #function above check that the time is bigger -> otherwise its the next day end_hour = 0000 """ elif sys.argv[1] =="rm": line_nr=sys.argv[2] delete_event(calendarfile, line_nr) elif sys.argv[1] =="s": search_term=sys.argv[2] search_event(calendarfile, search_term)
polarsbear/pycal
calTOBESURE.py
Python
gpl-2.0
17,653
[ "Elk" ]
8bf720f9d4fba79b597e879e03a847e5c7334561c89726b90ffdf5fc5f5cc591
# Copyright 2017 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # ============================================================================== r"""Multivariate autoregressive model (vector autoregression). Implements the following model (num_blocks = max(ar_order, ma_order + 1)): y(t, 1) = \sum_{i=1}^{ar_order} ar_coefs[i] * y(t - 1, i) y(t, i) = y(t - 1, i - 1) + ma_coefs[i - 1] * e(t) for 1 < i < num_blocks y(t, num_blocks) = y(t - 1, num_blocks - 1) + e(t) Where e(t) are Gaussian with zero mean and learned covariance. Each element of ar_coefs and ma_coefs is a [num_features x num_features] matrix. Each y(t, i) is a vector of length num_features. Indices in the above equations are one-based. Initial conditions y(0, i) come from prior state (which may either be learned or left as a constant with high prior covariance). If ar_order > ma_order, the observation model is: y(t, 1) + observation_noise(t) If ma_order >= ar_order, it is (to observe the moving average component): y(t, 1) + y(t, num_blocks) + observation_noise(t) Where observation_noise(t) are Gaussian with zero mean and learned covariance. This implementation uses a formulation which puts all of the autoregressive coefficients in the transition equation for the observed component, which enables learning using truncated backpropagation. Noise is not applied directly to the observed component (with the exception of standard observation noise), which further aids learning of the autoregressive coefficients when VARMA is in an ensemble with other models (in which case having an observation noise term is usually unavoidable). """ from __future__ import absolute_import from __future__ import division from __future__ import print_function from tensorflow.contrib.timeseries.python.timeseries import math_utils from tensorflow.contrib.timeseries.python.timeseries.state_space_models import state_space_model from tensorflow.python.framework import ops from tensorflow.python.ops import array_ops from tensorflow.python.ops import init_ops from tensorflow.python.ops import linalg_ops from tensorflow.python.ops import math_ops from tensorflow.python.ops import variable_scope class VARMA(state_space_model.StateSpaceModel): """A VARMA model implementation as a special case of the state space model.""" def __init__(self, autoregressive_order, moving_average_order, configuration=state_space_model.StateSpaceModelConfiguration()): """Construct a VARMA model. The size of the latent state for this model is: num_features * max(autoregressive_order, moving_average_order + 1) Square matrices of this size are constructed and multiplied. Args: autoregressive_order: The maximum autoregressive lag. moving_average_order: The maximum moving average lag, after which transient deviations are expected to return to their long-term mean. configuration: A StateSpaceModelConfiguration object. """ self.ar_order = autoregressive_order self.ma_order = moving_average_order self.state_num_blocks = max(autoregressive_order, moving_average_order + 1) super(VARMA, self).__init__(configuration=configuration) self.state_dimension = self.state_num_blocks * self.num_features def _define_parameters(self, observation_transition_tradeoff_log=None): with variable_scope.variable_scope(self._variable_scope): # TODO(allenl): Evaluate parameter transformations for AR/MA coefficients # which improve interpretability/stability. self.ar_coefs = variable_scope.get_variable( name="ar_coefs", shape=[self.num_features, self.num_features, self.ar_order], dtype=self.dtype, initializer=init_ops.zeros_initializer()) self.ma_coefs = variable_scope.get_variable( name="ma_coefs", initializer=array_ops.tile( linalg_ops.eye(self.num_features, dtype=self.dtype)[None, :, :], [self.ma_order, 1, 1]), dtype=self.dtype) super(VARMA, self)._define_parameters( observation_transition_tradeoff_log=observation_transition_tradeoff_log) def get_state_transition(self): """Construct state transition matrix from VARMA parameters. Returns: the state transition matrix. It has shape [self.state_dimension, self.state_dimension]. """ # Pad any unused AR blocks with zeros. The extra state is necessary if # ma_order >= ar_order. ar_coefs_padded = array_ops.reshape( array_ops.pad(self.ar_coefs, [[0, 0], [0, 0], [0, self.state_num_blocks - self.ar_order]]), [self.num_features, self.state_dimension]) shift_matrix = array_ops.pad( linalg_ops.eye( (self.state_num_blocks - 1) * self.num_features, dtype=self.dtype), [[0, 0], [0, self.num_features]]) return array_ops.concat([ar_coefs_padded, shift_matrix], axis=0) def get_noise_transform(self): """Construct state noise transform matrix from VARMA parameters. Returns: the state noise transform matrix. It has shape [self.state_dimension, self.num_features]. """ # Noise is broadcast, through the moving average coefficients, to # un-observed parts of the latent state. ma_coefs_padded = array_ops.reshape( array_ops.pad(self.ma_coefs, [[self.state_num_blocks - 1 - self.ma_order, 0], [0, 0], [0, 0]]), [(self.state_num_blocks - 1) * self.num_features, self.num_features], name="noise_transform") # Deterministically apply noise to the oldest component. return array_ops.concat( [ma_coefs_padded, linalg_ops.eye(self.num_features, dtype=self.dtype)], axis=0) def get_observation_model(self, times): """Construct observation model matrix from VARMA parameters. Args: times: A [batch size] vector indicating the times observation models are requested for. Unused. Returns: the observation model matrix. It has shape [self.num_features, self.state_dimension]. """ del times # StateSpaceModel will broadcast along the batch dimension if self.ar_order > self.ma_order or self.state_num_blocks < 2: return array_ops.pad( linalg_ops.eye(self.num_features, dtype=self.dtype), [[0, 0], [0, self.num_features * (self.state_num_blocks - 1)]], name="observation_model") else: # Add a second observed component which "catches" the accumulated moving # average errors as they reach the end of the state. If ar_order > # ma_order, this is unnecessary, since accumulated errors cycle naturally. return array_ops.concat( [ array_ops.pad( linalg_ops.eye(self.num_features, dtype=self.dtype), [[0, 0], [0, self.num_features * (self.state_num_blocks - 2)]]), linalg_ops.eye(self.num_features, dtype=self.dtype) ], axis=1, name="observation_model") def get_state_transition_noise_covariance( self, minimum_initial_variance=1e-5): # Most state space models use only an explicit observation noise term to # model deviations from expectations, and so a low initial transition noise # parameter is helpful there. Since deviations from expectations are also # modeled as transition noise in VARMA, we set its initial value based on a # slight over-estimate empirical observation noise. if self._input_statistics is not None: feature_variance = self._scale_variance( self._input_statistics.series_start_moments.variance) initial_transition_noise_scale = math_ops.log( math_ops.maximum( math_ops.reduce_mean(feature_variance), minimum_initial_variance)) else: initial_transition_noise_scale = 0. state_noise_transform = ops.convert_to_tensor( self.get_noise_transform(), dtype=self.dtype) state_noise_dimension = state_noise_transform.get_shape()[1].value return math_utils.variable_covariance_matrix( state_noise_dimension, "state_transition_noise", dtype=self.dtype, initial_overall_scale_log=initial_transition_noise_scale)
benoitsteiner/tensorflow-xsmm
tensorflow/contrib/timeseries/python/timeseries/state_space_models/varma.py
Python
apache-2.0
8,893
[ "Gaussian" ]
848a8c4a70100f4a2079d3533f4b707b33fcccd8880b35e2f7398f64d028c219
#!/usr/bin/env """ Chuckchi_Winds_NARR_model_prep.py Retrieve NARR winds for one locations Icy Cape Line, Ckip2 Latitude = 70.8401 Longitude = 163.2054 Filter NARR winds with a triangular filter (1/4, 1/2, 1/4) and output every 3hrs Provide U, V Save in EPIC NetCDF standard """ #System Stack import datetime #Science Stack import numpy as np from netCDF4 import Dataset # User Stack import utilities.haversine as sphered from utilities import ncutilities as ncutil # Visual Stack import matplotlib.pyplot as plt from mpl_toolkits.basemap import Basemap, shiftgrid __author__ = 'Shaun Bell' __email__ = 'shaun.bell@noaa.gov' __created__ = datetime.datetime(2014, 01, 13) __modified__ = datetime.datetime(2014, 01, 13) __version__ = "0.1.0" __status__ = "Development" __keywords__ = 'NARR','station_1','3hr filtered', 'U,V','Winds', 'Chuckchi' """------------------------General Modules-------------------------------------------""" def from_netcdf(infile): """ Uses ncreadfile_dic which returns a dictionary of all data from netcdf""" ###nc readin/out nchandle = ncutil.ncopen(infile) params = ncutil.get_vars(nchandle) #gets all of them ncdata = ncutil.ncreadfile_dic(nchandle, params) ncutil.ncclose(nchandle) return (ncdata, params) def from_netcdf_1dsplice(infile, height_ind, lat_ind, lon_ind): """ Uses ncreadfile_dic which returns a dictionary of all data from netcdf""" ###nc readin/out nchandle = ncutil.ncopen(infile) params = ncutil.get_vars(nchandle) #gets all of them print "Parameters available: " print params ncdata = ncutil.ncreadfile_dic_slice(nchandle, params, height_ind=height_ind, lat_ind=lat_ind, lon_ind=lon_ind) ncutil.ncclose(nchandle) return ncdata def latlon_grid(infile): nchandle = ncutil.ncopen(infile) lat_lon = ncutil.get_geocoords(nchandle) ncutil.ncclose(nchandle) return (lat_lon) def csvread(ifile): date, time, uwnd, vwnd, atemp, bpress = [], [], [], [], [], [] with open(ifile, 'rb') as csv_file: csv_reader = csv.reader(csv_file) next(csv_reader) #skip header """ DAT TIM WU WV AT BP """ for row in csv_reader: try: r0,r1,r2,r3,r4,r5,r6 = row[0].strip().split() except ValueError: r0,r1,r2,r3,r4,r5 = row[0].strip().split() date.append(r0) time.append(r1) uwnd.append(r2) vwnd.append(r3) return {'DAT': np.array(date, int), 'TIM':np.array(time, float), 'WU':np.array(uwnd, float),\ 'WV':np.array(vwnd, float)} def write2epic( file_name, stationid, time, lat_lon, data ): ncinstance = ncutil.EPIC_NC(savefile=file_name) ncinstance.file_create() ncinstance.sbeglobal_atts() ncinstance.PMELglobal_atts(Station_Name=stationid, file_name=( __file__.split('/')[-1]) ) ncinstance.dimension_init(len_time=len(time[0])) ncinstance.variable_init() ncinstance.add_coord_data(time1=time[0], time2=time[1], latitude=lat_lon[0], longitude=-1 * lat_lon[1], \ depth_level=10. ) ncinstance.add_data('WU_422', data[0]) ncinstance.add_data('WV_423', data[1]) ncinstance.add_data('AT_21', data[2]) ncinstance.close() def date2pydate(file_time, file_time2=None, file_flag='EPIC'): """ Ingest EPIC date or NCEP Date and provide python serial date""" if file_flag == 'EPIC': ref_time_py = datetime.datetime.toordinal(datetime.datetime(1968, 5, 23)) ref_time_epic = 2440000 offset = ref_time_epic - ref_time_py try: #if input is an array python_time = [None] * len(file_time) for i, val in enumerate(file_time): pyday = file_time[i] - offset pyfrac = file_time2[i] / (1000. * 60. * 60.* 24.) #milliseconds in a day python_time[i] = (pyday + pyfrac) except: pyday = file_time - offset pyfrac = file_time2 / (1000. * 60. * 60.* 24.) #milliseconds in a day python_time = (pyday + pyfrac) elif file_flag == 'NARR': """ Hours since 1800-1-1""" base_date=datetime.datetime.strptime('1800-01-01','%Y-%m-%d').toordinal() python_time = file_time / 24. + base_date elif file_flag == 'NCEP': """ Hours since 1800-1-1""" base_date=datetime.datetime.strptime('1800-01-01','%Y-%m-%d').toordinal() python_time = file_time / 24. + base_date else: print "time flag not recognized" sys.exit() return np.array(python_time) def pydate2EPIC(file_time): ref_time_py = datetime.datetime.toordinal(datetime.datetime(1968, 5, 23)) ref_time_epic = 2440000 offset = ref_time_epic - ref_time_py time1 = np.floor(file_time) + offset #truncate to get day and add 2440000 for true julian day time2 = ( file_time - np.floor(file_time) ) * (1000. * 60. * 60.* 24.) #milliseconds since 0000GMT return(time1, time2) "---" def triangle_smoothing(data_in): weights=np.array([0.25,0.5,0.25]) filtered_data = np.convolve(data_in,np.array(weights),'same') #edge effects return filtered_data """------------------------- Topo Modules -------------------------------------------""" def etopo5_data(): """ read in etopo5 topography/bathymetry. """ file = '/Volumes/WDC_internal/Users/bell/in_and_outbox/MapGrids/etopo5.nc' etopodata = Dataset(file) topoin = etopodata.variables['bath'][:] lons = etopodata.variables['X'][:] lats = etopodata.variables['Y'][:] etopodata.close() topoin,lons = shiftgrid(0.,topoin,lons,start=False) # -360 -> 0 lons, lats = np.meshgrid(lons, lats) return(topoin, lats, lons) """------------------------- Main Modules -------------------------------------------""" ### list of files NARR = '/Volumes/WDC_internal/Users/bell/Data_Local/Reanalysis_Files/NARR/3hourly/' infile = [NARR + 'uwnd.10m.1994.nc'] #used just to get grid sections ### Grab grid points for future slicing - assume grid is same in all model output lat_lon = latlon_grid(infile[0]) """ C1 70.8305, 163.1195 C2 71.2162, 164.3008 C3 71.8191, 165.9820 """ station_name = [ 'C2',] sta_lat = [71.2162,] sta_long = [164.3008,] #Find NARR nearest point to moorings - haversine formula station_1 = sphered.nearest_point([sta_lat[0],-1 * sta_long[0]],lat_lon['lat'],lat_lon['lon'], '2d') station_1_modelpt = [lat_lon['lat'][station_1[3],station_1[4]],lat_lon['lon'][station_1[3],station_1[4]]] print "station_1 nearest point to %s, %s which is lat:%s , lon:%s" \ % (sta_lat[0], sta_long[0], station_1_modelpt[0], station_1_modelpt[1]) #loop over all requested data years = range(2015,2016,1) for yy in years: # retrieve only these location's data # uwnd infile = NARR + 'uwnd.10m.'+ str(yy) + '.nc' print "Working on file " + infile station_1_data = from_netcdf_1dsplice(infile, None, station_1[3], station_1[4]) #filter data station_1u_f = triangle_smoothing(station_1_data['uwnd']) # retrieve only these location's data # vwnd infile = NARR + 'vwnd.10m.'+ str(yy) + '.nc' print "Working on file " + infile station_1_data = from_netcdf_1dsplice(infile, None, station_1[3], station_1[4]) #filter data station_1v_f = triangle_smoothing(station_1_data['vwnd']) # retrieve only these location's data # sfc air temp infile = NARR + 'air.2m.'+ str(yy) + '.nc' print "Working on file " + infile station_1_data = from_netcdf_1dsplice(infile, None, station_1[3], station_1[4]) station_1at = station_1_data['air'] -273.15 #Kelvin #convert to EPIC time pydate = date2pydate(station_1_data['time'], file_flag='NARR') epic_time, epic_time1 = pydate2EPIC(pydate) # output u,v wind components from model grid points save_to_nc = True if save_to_nc: # write to NetCDF outfile = 'data/NARR_' + station_name[0] + '_' + str(yy) + '.nc' print "Writing to Epic NetCDF " + outfile write2epic( outfile, station_name[0], [epic_time, epic_time1], station_1_modelpt, [station_1u_f, station_1v_f, station_1at]) plot_geoloc = True if plot_geoloc: (topoin, elats, elons) = etopo5_data() fig = plt.figure() ax = plt.subplot(111) m = Basemap(resolution='i',projection='merc', llcrnrlat=55, \ urcrnrlat=75,llcrnrlon=-180,urcrnrlon=-145, lat_ts=60) # Mooring Data x_moor, y_moor = m([-1. * sta_long[0],],sta_lat) x_close, y_close = m([station_1_modelpt[1],], [station_1_modelpt[0],]) #ETOPO 5 contour data ex, ey = m(elons, elats) CS = m.contourf(ex,ey,topoin, levels=range(250,5000,250), cmap='gray_r', alpha=.75) #colors='black' CS = m.contour(ex,ey,topoin, levels=range(250,5000,250), linewidths=0.2, colors='black', alpha=.75) # CS = m.contour(ex,ey,topoin, levels=[-1000, -200, -100], linestyle='--', linewidths=0.2, colors='black', alpha=.75) # #plot points m.scatter(x_close,y_close,20,marker='+',color='b') m.scatter(x_moor,y_moor,20,marker='o',color='g') m.drawcountries(linewidth=0.5) m.drawcoastlines(linewidth=0.5) m.drawparallels(np.arange(60,75,2.),labels=[1,0,0,0],color='black',dashes=[1,1],labelstyle='+/-',linewidth=0.2) # draw parallels m.drawmeridians(np.arange(-180,-145,2.),labels=[0,0,0,1],color='black',dashes=[1,1],labelstyle='+/-',linewidth=0.2) # draw meridians #m.fillcontinents(color='black') DefaultSize = fig.get_size_inches() fig.set_size_inches( (DefaultSize[0], DefaultSize[1]) ) plt.savefig('images/Chuckchi_region.png', bbox_inches='tight', dpi = (100)) plt.close()
shaunwbell/FOCI_Analysis
ReanalysisRetreival_orig/Chuckchi_Winds/Chuckchi_WindsSFCtemp_NARR_model_prep.py
Python
mit
9,929
[ "NetCDF" ]
352070b7cc466585d12e0ac0e4f25f6e36038bb9ad1a08b7aa83adebd44bece2
# ----------------------------------------------------------------------------- # User configuration # ----------------------------------------------------------------------------- outputDir = '/Users/seb/Desktop/Geometry-diskout-multi-contour/' inputFile = '/Users/seb/Downloads/ParaViewData-3.98.1/Data/disk_out_ref.ex2' # ----------------------------------------------------------------------------- from paraview import simple from tonic.paraview.dataset_builder import * # ----------------------------------------------------------------------------- # Pipeline creation # ----------------------------------------------------------------------------- reader = simple.OpenDataFile(inputFile) reader.PointVariables = ['Temp', 'V', 'Pres', 'AsH3', 'GaMe3', 'CH4', 'H2'] clip = simple.Clip(Input=reader) clip.ClipType.Normal = [0.0, 1.0, 0.0] streamLines = simple.StreamTracer( Input = reader, SeedType="High Resolution Line Source", Vectors = ['POINTS', 'V'], MaximumStreamlineLength = 20.16) streamLines.SeedType.Point2 = [5.75, 5.75, 10.15999984741211] streamLines.SeedType.Point1 = [-5.75, -5.75, -10.0] streamTubes = simple.Tube(Input=streamLines, Radius = 0.2) contourFilter = simple.Contour( Input = reader, PointMergeMethod = "Uniform Binning", ContourBy = 'AsH3', Isosurfaces = [0.1], ComputeScalars = 1) contourValues = [ 0.09 + float(x)*0.01 for x in range(9) ] sections = { "LookupTables": { "AsH3": { "range": [ 0.0804768, 0.184839 ], "preset": "wildflower" }, "Pres": { "range": [ 0.00678552, 0.0288185 ], "preset": "cool" }, "Temp": { "range": [ 293.15, 913.15 ], "preset": "spectralflip" } } } sceneDescription = { 'scene': [ { 'name': 'Stream lines', 'source': streamTubes, 'colors': { 'Pres': {'location': 'POINT_DATA' }, 'Temp': {'location': 'POINT_DATA' } } },{ 'name': 'Clip', 'source': clip, 'colors': { 'Pres': {'location': 'POINT_DATA' }, 'Temp': {'location': 'POINT_DATA' } } },{ 'name': 'Contour AsH3', 'source': contourFilter, 'colors': { 'AsH3': {'location': 'POINT_DATA' }, 'Pres': {'location': 'POINT_DATA' }, 'Temp': {'location': 'POINT_DATA' } } } ] } # ----------------------------------------------------------------------------- # Data Generation # ----------------------------------------------------------------------------- # Create Image Builder dsb = GeometryDataSetBuilder(outputDir, sceneDescription, sections=sections) dsb.getDataHandler().registerArgument(priority=1, name='contour', values=contourValues, ui='slider', loop='modulo') dsb.getDataHandler().registerArgument(priority=2, name='clip', values=range(5), ui='slider', loop='modulo') dsb.start() for v in dsb.getDataHandler().clip: for c in dsb.getDataHandler().contour: clip.ClipType.Origin = [0.0, float(2*v) - 5.0, 0.0] contourFilter.Isosurfaces = [ c ] dsb.writeData() dsb.stop()
Kitware/tonic-data-generator
scripts/paraview/samples/Geometry-multicontour-diskout.py
Python
bsd-3-clause
3,466
[ "ParaView" ]
e7d029dc34cb9e791b9b2c92e553f3d916fea40cffa864c4de655e8cabe0ad01
#!/usr/bin/env python # -*- coding: utf-8 -*- __version__ = "0.8.6" __author__ = "Pierre Legrand (pierre.legrand@synchrotron-soleil.fr)" __date__ = "20-12-2013" __copyright__ = "Copyright (c) 2006-2013 Pierre Legrand" __license__ = "New BSD http://www.opensource.org/licenses/bsd-license.php" # Environemantal variable XDSHOME, if set, defines the place where the xds # executables will be searched. The parallelized execs (xds_par, xscale_par) # will be used be defaults. import sys import os atom_names = ['Ag', 'Al', 'Ar', 'As', 'Au', 'B', 'Ba', 'Be', 'Bi', 'Br', 'C', 'Ca', 'Cd', 'Ce', 'Cl', 'Co', 'Cr', 'Cs', 'Cu', 'Dy', 'Er', 'Eu', 'F', 'Fe', 'Ga', 'Gd', 'Ge', 'H', 'He', 'Hf', 'Hg', 'Ho', 'I', 'In', 'Ir', 'K', 'Kr', 'La', 'Li', 'Lu', 'Mg', 'Mn', 'Mo', 'N', 'Na', 'Nb', 'Nd', 'Ne', 'Ni', 'O', 'Os', 'P', 'Pb', 'Pd', 'Pm', 'Pr', 'Pt', 'Pu', 'Rb', 'Re', 'Rh', 'Rn', 'Ru', 'S', 'Sb', 'Sc', 'Se', 'Si', 'Sm', 'Sn', 'Sr', 'Ta', 'Tb', 'Tc', 'Te', 'Th', 'Ti', 'Tl', 'Tm', 'U', 'V', 'W', 'Xe', 'Y', 'Yb', 'Zn', 'Zr'] options = ["CCP4","CCP4F","CNS","SHELX","SOLVE","EPMR","CRANK", "AMORE","SHARP","PHASER","REPLACE"] usage = """ USAGE : %s FILE OPTIONS [free_hkl_to_inherit] [nSites] [atomType] EXPORT_MODE \n EXPORT_MODE can be one of these:\n %s\n FILE is a XDS or XSCALE reflection file (usually XDS_ASCII.HKL).\n OPTIONS: -a force anomal output (Friedel's law = False) -n force normal output (Friedel's law = True) -m force merged output -u force unmerged output -f force generation of free reflection flag -nf force no generation of free reflection flag Default is keeping the XDS input file settings. -l label, or -l=label In case of CCP4 export, give a new label columns. The defaults labels: FP, SIGFP, DANO, SIGDANO, ISYM with -l pk or -l=pk becomes: FP_pk, SIGFP_pk, DANO_pk ... in CCP4 mode FP_pk, SIGFP_pk, F(+)_pk, SIGF(+)_pk, ... in PHASER mode free_hkl_to_inherit: is a reflection file containing a previously selected set of free reflection to be kept in the newly exported reflection file for calculation of unbiased Rfree. The accepted file format are: SHELX, CNS and MTZ (with the following labels: FP=FP SIGFP=SIGFP FREE=FreeR_flag).\n nSites: integer describing the number of heavy atom sites expected.\n atomType: Symbol of the heavy atom type expected. Only one or two letters symbols are recognised (like I, Se, S, Hg).\n NOTE: i) Keywords free_hkl_to_inherit, nSites, atomeType and EXPORT_MODE can be given in any order. ii) Cell parameters, space group number and wavelength are taken from the XDS reflection file header. iii) If Friedel's law == False and heavy atom type is not given, a guess is made base on the wavelength closest atome type edge. iv) All the exported files are created in a new local directory named after the requested mode (./ccp4, ./phaser, ./solve...). v) In most modes, custom bash scripts are created to allow a rapid interactive exploration of data processing. EXAMPLES: xdsconv.py XDS_ASCII.HKL shelx 12 Se xdsconv.py solve XDS_ASCII.HKL Se 12 xdsconv.py 12 Se phaser XDS_ASCII.HKL xdsconv.py XDS_ASCII.HKL ccp4 -n FreeR_reference.mtz xdsconv.py XDS_ASCII.HKL ccp4 Se 12 -l=peak FreeR_reference.mtz """ fmt_inp = """ <== Input file: %(file_name_in)s <<< Space group number: %(spgn_in)s <<< Cell parameters: %(cell_str)s <<< Friedel's law: %(friedel_in)s <<< Merge: %(merge_in)s <<< Template: %(ID)s <<< Wavelength %(wavelength).4f """ fmt_outp = """==> Output file: %(file_name_out)s ==> Output mode: %(mode)s >>> Friedel's law: %(friedel_out)s >>> Merge: %(merge_out)s >>> Resolution limit: %(res_low).2f - %(res_high).2f Angstroem """ fmt_outp_ha = """ >>> From Wavelength %(wavelength).4f ??? Guessed Atome Edge %(ha_name)s ??? F' %(fp).2f ??? F" %(fpp).2f """ xdsconv_script = """UNIT_CELL_CONSTANTS= %(cell_str)s SPACE_GROUP_NUMBER= %(spgn_in)s INPUT_FILE=%(file_name_in)s %(file_type)s %(res_low).2f %(res_high).2f OUTPUT_FILE=%(dir_mode)s%(file_name_out)s %(mode_out)s FRIEDEL'S_LAW=%(friedel_out)s MERGE=%(merge_out)s """ shelxc_script = """SAD %(file_name_out)s CELL %(cell_str)s SPAG %(spg_name)s NTRY 1000 FIND %(num_sites)d SFAC %(ha_name)s MIND -3.5 MAXM 2 """ shelxall_script = """#!/bin/sh name="NORM" nsites=6 pats="yes" res_range="3.3 3.5 3.8 4.0 4.4 5.0" search_sites_shelx () { ID=$1 # Identifier RES=$2 # High resolution limit NSITES=$3 # Number of sites PATS=$4 # Patterson seeding option shelxc ${ID} << EOFC > ${ID}_shelxc.log SAD %(file_name_out)s CELL %(cell_str)s SPAG %(spg_name)s SHEL 999 ${RES} NTRY 1000 FIND ${NSITES} SFAC %(ha_name)s ESEL 1.3 MIND -3.0 1 MAXM 4 EOFC if [ $PATS != "yes" ] ; then #grep -v PATS ${ID}_fa.ins > ${ID}_nopats_fa.ins sed -e 's/^PATS/WEED 0.3\\nSKIP 0.5/' ${ID}_fa.ins > ${ID}_nopats_fa.ins cp ${ID}.hkl ${ID}_nopats.hkl cp ${ID}_fa.hkl ${ID}_nopats_fa.hkl shelxd ${ID}_nopats_fa > ${ID}_nopats_shelxd.log else shelxd ${ID}_fa > ${ID}_shelxd.log fi } if [ $pats != "yes" ] ; then PN="NOPATS" else PN="PATS" fi # loop to start batch process with different resoution limit for res in ${res_range} ; do id="${name}_${PN}_E1.3_N${nsites}_D${res}" search_sites_shelx ${id} ${res} ${nsites} ${pats} & done # end of the loop. """ sitcom_script ="""#!/bin/sh do_sitcom () { ID=$1 # Identifier NSITES=$2 # Number of sites PATS=$3 # Patterson seeding option if [ $PATS = "yes" ] ; then cat << EOFS > ${ID}_sitcom.inp unit_cell %(cell_str)s space_group %(spgn_in)s str_name ${ID} deriv_atyp %(ha_name)s # # TAG WEIGHT FILE N(SOL) N(SITES) # read_set ${ID} 1.0 ${ID}_fa.lst 10 ${NSITES} #read_set SHELXD2 1.0 a4_fa.lst 10 ${nsites} #read_sol HYSS 1.0 a3_fa.pdb #read_sol SHELXD5 1.0 a2_fa.pdb EOFS sitcom < ${ID}_sitcom.inp > ${ID}_sitcom.log cat << EOFS >> tmp.all_sitcom.inp read_sol ${ID} 1.0 ${ID}_fa.pdb ${NSITES} EOFS else cat << EOFS > ${ID}_nopats_sitcom.inp unit_cell %(cell_str)s space_group %(spgn_in)s str_name ${ID}_nopats deriv_atyp %(ha_name)s # # TAG WEIGHT FILE N(SOL) N(SITES) # read_set ${ID}np 1.0 ${ID}_nopats_fa.lst 10 ${NSITES} #read_set SHELXD2 1.0 a4_fa.lst 10 ${nsites} #read_sol HYSS 1.0 a3_fa.pdb #read_sol SHELXD5 1.0 a2_fa.pdb EOFS sitcom < ${ID}_nopats_sitcom.inp > ${ID}_nopats_sitcom.log cat << EOFS >> tmp.all_sitcom.inp read_sol ${ID}np 1.0 ${ID}_nopats_fa.pdb ${NSITES} EOFS fi } id="aaa" nsites=%(num_sites)d pats="yes" cat << EOFS > tmp.all_sitcom.inp unit_cell %(cell_str)s space_group %(spgn_in)s str_name ${id} deriv_atyp %(ha_name)s # # TAG WEIGHT FILE N(SOL) N(SITES) # EOFS # loop to start batch process with different resoution limit for res in 3.2 3.5 4.0 4.4 ; do do_sitcom ${id}${res} ${nsites} ${pats} done # end of the loop # compare all solutions if [ $pats = "yes" ] ; then mv tmp.all_sitcom.inp ${id}_all_sitcom.inp sitcom < ${id}_all_sitcom.inp > ${id}_all_sitcom.log else mv tmp.all_sitcom.inp ${id}_all_np_sitcom.inp sitcom < ${id}_all_np_sitcom.inp > ${id}_all_np_sitcom.log fi """ xprep_script = """../%(file_name_in)s X\nY\n\nS\nI %(cns_sg)s Y A\nA\nA 100\n %(ident)s\nY\n %(ha_name)s\n4\n%(wavelength)s\n3.0\n E\nP\nR\n15 3 P\n%(ident)s.pattX.ps\nX\n\n\n P\n%(ident)s.pattY.ps\nY\n\n\n P\n%(ident)s.pattZ.ps\nZ\n\n\n E\nQ """ f2mtz_script = """ TITLE data from XDS FILE %(file_name_out)s SYMMETRY %(spgn_in)s CELL %(cell_str)s LABOUT H K L FP%(lbl)s SIGFP%(lbl)s %(cinp_ano)s %(free_lbl)s CTYPOUT H H H F Q %(cinp_ano2)s %(free_code)s NAME PROJECT %(ID)s CRYSTAL %(ID)s DATASET d%(ID)s END """ f2mtz_phaser_script = """ TITLE data from XDS FILE %(file_name_out)s SYMMETRY %(spgn_in)s CELL %(cell_str)s LABOUT H K L FP%(lbl)s SIGFP%(lbl)s F(+)%(lbl)s SIGF(+)%(lbl)s F(-)%(lbl)s SIGF(-)%(lbl)s %(free_lbl)s CTYPOUT H H H F Q G L G L %(free_code)s END """ scala_script = """#!/bin/bash function run_scala() { pointless XDSIN XDS_ASCII.HKL \\ HKLOUT XDS_pointless_correct.mtz > XDS_pointless_correct.log scala hklin XDS_pointless_correct.mtz hklout XDS_scala_correct.mtz \\ scales SCALA.scales \\ rogues SCALA.rogues \\ rogueplot SCALA.rogueplot \\ correlplot SCALA.correlplot \\ normplot SCALA.norm \\ anomplot SCALA.anom \\ > XDS_scala.log << eof-1 cycles 0 bin 12 scales constant # batch scaling is generally poorer than smoothed anomalous on eof-1 } function run_aimless() { pointless XDSIN XDS_ASCII.HKL \\ HKLOUT XDS_pointless_correct.mtz > XDS_pointless_correct.log aimless hklin XDS_pointless_correct.mtz hklout XDS_aimless_correct.mtz \\ scales AIMLESS.scales \\ rogues AIMLESS.rogues \\ rogueplot AIMLESS.rogueplot \\ correlplot AIMLESS.correlplot \\ normplot AIMLESS.norm \\ anomplot AIMLESS.anom \\ > XDS_aimless.log << eof-2 cycles 0 bin 12 scales constant # batch scaling is generally poorer than smoothed eof-2 } #run_scala run_aimless """ cad_crank_script = """ cad HKLIN1 temp.mtz HKLOUT output_file_name.mtz<<EOF LABIN FILE 1 ALL XNAME FILE 1 ALL=XDS DWAVELENGTH FILE 1 XDS %(wavelength)s END """ f2mtz_sharp_script = """ TITLE data from XDS FILE %(file_name_out)s SYMMETRY %(spgn_in)s CELL %(cell_str)s LABOUT H K L FMID SMID DANO SANO ISYM CTYPOUT H H H F Q D Q Y END """ solve_script = """#!/bin/sh set noclobber # run solve solve_giant << eof-solve > solve.out symfile %(spg_name)s.sym cell %(cell_str)s resolution %(res_low).3f %(res_high).3f logfile ./solve.logfile readformatted unmerged read_intensities checksolve mad_atom %(ha_name)s lambda 1 label sad wavelength = %(wavelength)s rawmadfile %(file_name_out)s fixscattfactors fprprv_mad %(fpp)s nsolsite_deriv %(num_sites)d # Add your known sites here #xyz 0.3690 0.1194 0.0178 #xyz 0.9238 0.0377 0.0699 acceptance 0.30 !nres 200 #addsolve SAD eof-solve # run resolve resolve << eof-resolve > resolve.out !solvent_content 0.30 !seq_file protein.seq eof-resolve fft HKLIN resolve.mtz MAPOUT resolve.ccp4map << eof-fft > resolve_fft.out TITLE from resolve LABIN F1=FP PHI=PHIM W=FOMM END eof-fft """ phaser_script = """#!/bin/bash # script written by xdsconv.py (pierre.legrand at synchrotron-soleil.fr) label="" scat="%(ha_name)s" PARTIAL_MODEL_OPTION="" solvent_content=0.5 parrot_cycles=5 parrot_resolution=1.0 function usage () { echo echo " $0 [-s x] ha_sites.pdb [partial_model.pdb]" echo " -l label, --label mtz columns label" echo " -a, --anom anomalous scatterer" echo " -s solvc, --solvent solvc set the solvent content" echo " -n ncycles, --parrot_cycles number of parrot cycles" echo " -r resol, --resolution parrot resolution cutoff" echo " -h, --help print this help" echo } while [ $# -gt 0 ]; do case "$1" in -h | --help | -help ) usage exit 0 ;; -l | --label ) label="_$2" shift ; shift ;; -a | --anom ) scat=$2 echo "INFO: Using anomalous scatterer: $scat" shift; shift ;; -s | --solvent ) solvent_content=$2 echo "INFO: Using a solvent fraction of: $solvent_content" shift; shift ;; -r | --resolution ) parrot_resolution=$2 echo "INFO: Cuting high resolution for parrot to: $2" shift; shift ;; -n | --parrot_cycles ) parrot_cycles=$2 echo "INFO: Number of parrot parrot cycles set to: $2" shift; shift ;; * ) hatom_pdb=$1 ID=`basename $hatom_pdb .pdb` break ;; esac done if [[ $# -eq 2 ]];then echo "Using partial model: $2" PARTIAL_MODEL_OPTION="PART PDB $2 ID 100" echo $PARTIAL_MODEL_OPTION fi function run_phaser() { phaser << eof > phaser_auto_${ID}.log MODE EP_AUTO TITLe SAD phasing of ${ID} with %(num_sites)d ${scat} HKLIn %(last_name)s #COMPosition PROTein SEQ PROT.seq NUM 2 COMPosition BY SOLVent COMPosition PERCentage $solvent_content CRYStal ${ID} DATAset sad LABIn F+=F(+)${label} SIG+=SIGF(+)${label} F-=F(-)${label} SIG-=SIGF(-)${label} WAVElength %(wavelength)f LLGComplete COMPLETE ON # CLASH 3.8 ATOM CRYStal ${ID} PDB $hatom_pdb SCATtering ${scat} ATOM CHANge SCATterer ${scat} ROOT ${ID}_auto ${PARTIAL_MODEL_OPTION} eof } function run_parrot() { hand=$1 if [ $hand = "ori" ] ; then parrID=${ID}_auto elif [ $hand = "inv" ] ; then parrID=${ID}_auto.hand fi cparrot \\ -mtzin-wrk ${parrID}.mtz \\ -pdbin-wrk-ha ${parrID}.pdb \\ -colin-wrk-fo "/*/*/[FP${label},SIGFP${label}]" \\ -colin-wrk-hl "/*/*/[HLA,HLB,HLC,HLD]" \\ -colin-wrk-fc "/*/*/[FWT,PHWT]" \\ -colin-wrk-free "/*/*/[FreeR_flag]" \\ -mtzout ${parrID}_parrot_${solvent_content}_${parrot_cycles}.mtz \\ -colout parrot \\ -solvent-flatten \\ -histogram-match \\ -cycles ${parrot_cycles} \\ -resolution ${parrot_resolution} \\ -solvent-content ${solvent_content} \\ -ncs-average \\ > cparrot_${parrID}_${solvent_content}_${parrot_cycles}.log # -ncs-mask-filter-radius 22 \\ } run_phaser run_parrot ori test -f ${ID}_auto.hand.mtz && run_parrot inv """ replace_script = """#!/bin/bash cat << eof > RF_SELF_3.inp title ordinary self RF by slow RF from xdsme ! print RF_SELF_3.prt ! polar xzk euler zyz orthog axabz ! acell %(cell_str)s asymmetry %(spg_name)s aobsfile data.hkl acutoff 1.0 1.0 0.0 aformat 3i6, 2e10.3 ! reading F power=2 ! reading I power=1 apower 2 origin true ! cutoff 0.25 ! resolution 40.0 3.5 boxsize 3 3 3 radius 20.0 geval 2 ! self true cross false fast true ! sangle polar oangle polar xyk ! ! This sets the search limits automatically ! slimit 2 270 90 3 ! mapfile RF_SELF_3.map peak 3.0 50 ! cntf RF_SELF_3.ps cntl 3 9 0.5 1 cntl 1.5 2.5 0.5 4 ! stop eof glrf < RF_SELF_3.inp > RF_SELF.log """ crossec_script = """ ATOM %(ha_name)s NWAV 1 %(wavelength)s END """ cns_par = """a, b, c, alpha, beta, gamma = %(cns_cell)s sg = %(cns_sg)s low_res, high_res = %(res_low).3f %(res_high).3f reflection_infile_1 = %(file_name_out)s obs_f, obs_sigf, = "fobs", "sigma" test_set, test_flag = "test", 1 """ cad_script = """LABIN FILE 1 ALL DWAVE FILE 1 %(ID)s d%(ID)s %(wavelength).5f\nEND""" cad2_script = """LABIN FILE 1 ALL LABIN FILE 2 %(cad_ano)s DWAVE FILE 2 %(ID)s d%(ID)s %(wavelength).5f\nEND""" mtzutils_script = "END\n" mtz2various_script = """#!/bin/bash rm -f free_refl_shelx_F3.tmp labelF=$(mtzdmp $1 | grep " F " | head -1 | awk '{print $12 }') labelSIGF=$(mtzdmp $1 | grep " Q " | head -1 | awk '{print $12 }') labelFREE=$(mtzdmp $1 | grep " I " | head -1 | awk '{print $12 }') echo "using labels \\"$labelF $labelSIGF $labelFREE\\"" mtz2various hklin $1 hklout free_refl_shelx_F3.tmp << eof > mtz2shelx.log LABIN FP=$labelF SIGFP=$labelSIGF FREE=$labelFREE OUTPUT SHELX eof grep -v " 0 0 0" free_refl_shelx_F3.tmp > free_refl_shelx_F3.hkl echo " 0 0 0 0. 0.00 0" >> free_refl_shelx_F3.hkl rm -f free_refl_shelx_F3.tmp """ HAd = {0.72227:("U ",92,"L3"),0.72766:("Y ",39,"K "),0.76973:("Sr",38,"K "), 0.81554:("Rb",37,"K "),0.86552:("Kr",36,"K "),0.92040:("Br",35,"K "), 0.92340:("Bi",83,"L3"),0.95073:("Pb",82,"L3"),0.97974:("Se",34,"K "), 1.00910:("Hg",80,"L3"),1.04000:("Au",79,"L3"),1.04500:("As",33,"K "), 1.07230:("Pt",78,"L3"),1.10580:("Ir",77,"L3"),1.11658:("Ge",32,"K "), 1.14080:("Os",76,"L3"),1.17730:("Re",75,"L3"),1.19580:("Ga",31,"K "), 1.21550:("W ",74,"L3"),1.25530:("Ta",73,"L3"),1.28340:("Zn",30,"K "), 1.29720:("Hf",72,"L3"),1.34050:("Lu",71,"L3"),1.38059:("Cu",29,"K "), 1.38620:("Yb",70,"L3"),1.43340:("Tm",69,"L3"),1.48350:("Er",68,"L3"), 1.48807:("Ni",28,"K "),1.53680:("Ho",67,"L3"),1.59160:("Dy",66,"L3"), 1.60815:("Co",27,"K "),1.64970:("Tb",65,"L3"),1.71170:("Gd",64,"L3"), 1.74346:("Fe",26,"K "),1.77610:("Eu",63,"L3"),1.84570:("Sm",62,"L3")} # A dictionary containing all sg_number:sg_name from the spacegroup.lib cns_sg_lib = {1:"P1",2:"P-1",3:"P2",4:"P2(1)",5:"C2",6:"PM",7:"PC",8:"CM", 9:"CC",10:"P2/M",11:"P2(1)/M",12:"C2/M",13:"P2/C",14:"P2(1)/C",15:"C2/C", 16:"P222",17:"P222(1)",18:"P2(1)2(1)2",19:"P2(1)2(1)2(1)",20:"C222(1)", 21:"C222",22:"F222",23:"I222",24:"I2(1)2(1)2(1)",25:"PMM2",26:"PMC2(1)", 27:"PCC2",28:"PMA2",29:"PCA2(1)",30:"PNC2",31:"PMN2(1)",32:"PBA2", 33:"PNA2(1)",34:"PNN2",35:"CMM2",36:"CMC2(1)",37:"CCC2",38:"AMM2", 39:"ABM2",40:"AMA2",41:"ABA2",42:"FMM2",43:"FDD2",44:"IMM2",45:"IBA2", 46:"IMA2",47:"PMMM",48:"PNNN",49:"PCCM",50:"PBAN",51:"PMMA",52:"PNNA", 53:"PMNA",54:"PCCA",55:"PBAM",56:"PCCN",57:"PBCM",58:"PNNM",59:"PMMN", 60:"PBCN",61:"PBCA",62:"PNMA",63:"CMCM",64:"CMCA",65:"CMMM",13065:"AMMM", 66:"CCCM",67:"CMMA",68:"CCCA",69:"FMMM",70:"FDDD",71:"IMMM",72:"IBAM", 73:"IBCA",74:"IMMA",75:"P4",76:"P4(1)",77:"P4(2)",78:"P4(3)",79:"I4", 80:"I4(1)",81:"P-4",82:"I-4",83:"P4/M",84:"P4(2)/M",85:"P4/N",86:"P4(2)/N", 87:"I4/M",88:"I4(1)/A",89:"P422",90:"P42(1)2",91:"P4(1)22",92:"P4(1)2(1)2", 93:"P4(2)22",94:"P4(2)2(1)2",95:"P4(3)22",96:"P4(3)2(1)2",97:"I422", 98:"I4(1)22",99:"P4MM",100:"P4BM",101:"P4(2)CM",102:"P4(2)NM",103:"P4CC", 104:"P4NC",105:"P4(2)MC",106:"P4(2)BC",107:"I4MM",108:"I4CM",109:"I4(1)MD", 110:"I4(1)CD",111:"P-42M",112:"P-42C",113:"P-42(1)M",114:"P-42(1)C", 115:"P-4M2",116:"P-4C2",117:"P-4B2",118:"P-4N2",119:"I-4M2",120:"I-4C2", 121:"I-42M",122:"I-42D",123:"P4/MMM",124:"P4/MCC",125:"P4/NBM",126:"P4/NNC", 127:"P4/MBM",128:"P4/MNC",129:"P4/NMM",130:"P4/NCC",131:"P4(2)/MMC", 132:"P4(2)/MCM",133:"P4(2)/NBC",134:"P4(2)/NNM",135:"P4(2)/MBC", 136:"P4(2)/MNM",137:"P4(2)/NMC",138:"P4(2)/NCM",139:"I4/MMM",140:"I4/MCM", 141:"I4(1)/AMD",142:"I4(1)/ACD",143:"P3",144:"P3(1)",145:"P3(2)",146:"R3", 20146:"R3R",147:"P-3",148:"R-3",20148:"R-3R",149:"P312",150:"P321", 151:"P3(1)12",152:"P3(1)21",153:"P3(2)12",154:"P3(2)21",155:"R32", 20155:"R32R",156:"P3M1",157:"P31M",158:"P3C1",159:"P31C",160:"R3M", 20160:"R3MR",161:"R3C",20161:"R3CR",162:"P-31M",163:"P-31C",164:"P-3M1", 165:"P-3C1",166:"R-3M",20166:"R-3MR",167:"R-3C",20167:"R-3CR",168:"P6", 169:"P6(1)",170:"P6(5)",171:"P6(2)",172:"P6(4)",173:"P6(3)",174:"P-6", 175:"P6/M",176:"P6(3)/M",177:"P622",178:"P6(1)22",179:"P6(5)22", 180:"P6(2)22",181:"P6(4)22",182:"P6(3)22",183:"P6MM",184:"P6CC", 185:"P6(3)CM",186:"P6(3)MC",187:"P-6M2",188:"P-6C2",189:"P-62M", 190:"P-62C",191:"P6/MMM",192:"P6/MCC",193:"P6(3)/MCM",194:"P6(3)/MMC", 195:"P23",196:"F23",197:"I23",198:"P2(1)3",199:"I2(1)3",200:"PM-3", 201:"PN-3",202:"FM-3",203:"FD-3",204:"IM-3",205:"PA-3",206:"IA-3", 207:"P432",208:"P4(2)32",209:"F432",210:"F4(1)32",211:"I432", 212:"P4(3)32",213:"P4(1)32",214:"I4(1)32",215:"P-43M",216:"F-43M", 217:"I-43M",218:"P-43N",219:"F-43C",220:"I-43D",221:"PM-3M", 222:"PN-3N",223:"PM-3N",224:"PN-3M",225:"FM-3M",226:"FM-3C",227:"FD-3M", 228:"FD-3C",229:"IM-3M",230:"IA-3D"} amore_symops = { 1: ((1, 0, 'P1', 'PG1', 'TRICLINIC'),'x,y,z * end'), 2: ((2, 0, 'P-1', 'PG1BAR', 'TRICLINIC'),'x,y,z * -x,-y,-z * end'), 3: ((2, 0, 'P2', 'PG2', 'MONOCLINIC'),'x,y,z * -x,y,-z * end'), 4: ((2, 0, 'P21', 'PG2', 'MONOCLINIC'),'x,y,z * -x,1/2+y,-z * end'), 5: ((2, 1, 'C2', 'PG2', 'MONOCLINIC'),'x,y,z * -x,y,-z * 1/2,1/2,0 * end'), 6: ((2, 0, 'PM', 'PGM', 'MONOCLINIC'),'x,y,z * x,-y,z * end'), 7: ((2, 0, 'PC', 'PGM', 'MONOCLINIC'),'x,y,z * x,-y,1/2+z * end'), 8: ((2, 1, 'CM', 'PGM', 'MONOCLINIC'),'x,y,z * x,-y,z * 1/2,1/2,0 * end'), 9: ((2, 1, 'CC', 'PGM', 'MONOCLINIC'),'x,y,z * x,-y,1/2+z * 1/2,1/2,0 * end'), 10: ((4, 0, 'P2/M', 'PG2/M', 'MONOCLINIC'),'x,y,z * -x,y,-z * -x,-y,-z * x,-y,z * end'), 11: ((4, 0, 'P21/M', 'PG2/M', 'MONOCLINIC'),'x,y,z * -x,1/2+y,-z * -x,-y,-z * x,1/2-y,z * end'), 12: ((4, 1, 'C2/M', 'PG2/M', 'MONOCLINIC'),'x,y,z * -x,y,-z * -x,-y,-z * x,-y,z * 1/2,1/2,0 * end'), 13: ((4, 0, 'P2/C', 'PG2/M', 'MONOCLINIC'),'x,y,z * -x,y,1/2-z * -x,-y,-z * x,-y,1/2+z * end'), 14: ((4, 0, 'P21/C', 'PG2/M', 'MONOCLINIC'),'x,y,z * -x,-y,-z * -x,1/2+y,1/2-z * x,1/2-y,1/2+z * end'), 15: ((4, 1, 'C2/C', 'PG2/M', 'MONOCLINIC'),'x,y,z * -x,y,1/2-z * -x,-y,-z * x,-y,1/2+z * 1/2,1/2,0 * end'), 16: ((4, 0, 'P222', 'PG222', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * end'), 17: ((4, 0, 'P2221', 'PG222', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * -x,y,1/2-z * x,-y,-z * end'), 18: ((4, 0, 'P21212', 'PG222', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * end'), 19: ((4, 0, 'P212121', 'PG222', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * end'), 20: ((4, 1, 'C2221', 'PG222', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * -x,y,1/2-z * x,-y,-z * 1/2,1/2,0 * end'), 21: ((4, 1, 'C222', 'PG222', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * 1/2,1/2,0 * end'), 22: ((4, 3, 'F222', 'PG222', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 23: ((4, 1, 'I222', 'PG222', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * 1/2,1/2,1/2 * end'), 24: ((4, 1, 'I212121', 'PG222', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * 1/2,1/2,1/2 * end'), 25: ((4, 0, 'PMM2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,-y,z * -x,y,z * end'), 26: ((4, 0, 'PMC21', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * x,-y,1/2+z * -x,y,z * end'), 27: ((4, 0, 'PCC2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,-y,1/2+z * -x,y,1/2+z * end'), 28: ((4, 0, 'PMA2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2+x,-y,z * 1/2-x,y,z * end'), 29: ((4, 0, 'PCA21', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * 1/2+x,-y,z * 1/2-x,y,1/2+z * end'), 30: ((4, 0, 'PNC2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,1/2-y,1/2+z * -x,1/2+y,1/2+z * end'), 31: ((4, 0, 'PMN21', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,1/2+z * 1/2+x,-y,1/2+z * -x,y,z * end'), 32: ((4, 0, 'PBA2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * end'), 33: ((4, 0, 'PNA21', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,1/2+z * end'), 34: ((4, 0, 'PNN2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * end'), 35: ((4, 1, 'CMM2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,-y,z * -x,y,z * 1/2,1/2,0 * end'), 36: ((4, 1, 'CMC21', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * x,-y,1/2+z * -x,y,z * 1/2,1/2,0 * end'), 37: ((4, 1, 'CCC2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,-y,1/2+z * -x,y,1/2+z * 1/2,1/2,0 * end'), 38: ((4, 1, 'AMM2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,-y,z * -x,y,z * 0,1/2,1/2 * end'), 39: ((4, 1, 'ABM2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,1/2-y,z * -x,1/2+y,z * 0,1/2,1/2 * end'), 40: ((4, 1, 'AMA2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2+x,-y,z * 1/2-x,y,z * 0,1/2,1/2 * end'), 41: ((4, 1, 'ABA2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 0,1/2,1/2 * end'), 42: ((4, 3, 'FMM2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,-y,z * -x,y,z * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 43: ((4, 3, 'FDD2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/4+x,1/4-y,1/4+z * 1/4-x,1/4+y,1/4+z * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 44: ((4, 1, 'IMM2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * x,-y,z * -x,y,z * 1/2,1/2,1/2 * end'), 45: ((4, 1, 'IBA2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2,1/2,1/2 * end'), 46: ((4, 1, 'IMA2', 'PGMM2', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2+x,-y,z * 1/2-x,y,z * 1/2,1/2,1/2 * end'), 47: ((8, 0, 'PMMM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * end'), 48: ((8, 0, 'PNNN', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * end'), 49: ((8, 0, 'PCCM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,1/2-z * x,-y,1/2-z * -x,-y,-z * x,y,-z * x,-y,1/2+z * -x,y,1/2+z * end'), 50: ((8, 0, 'PBAN', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * 1/2-x,1/2-y,-z * 1/2+x,1/2+y,-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * end'), 51: ((8, 0, 'PMMA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,z * -x,y,-z * 1/2+x,-y,-z * -x,-y,-z * 1/2+x,y,-z * x,-y,z * 1/2-x,y,z * end'), 52: ((8, 0, 'PNNA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,z * 1/2-x,1/2+y,1/2-z * x,1/2-y,1/2-z * -x,-y,-z * 1/2+x,y,-z * 1/2+x,1/2-y,1/2+z * -x,1/2+y,1/2+z * end'), 53: ((8, 0, 'PMNA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,1/2+z * 1/2-x,y,1/2-z * x,-y,-z * -x,-y,-z * 1/2+x,y,1/2-z * 1/2+x,-y,1/2+z * -x,y,z * end'), 54: ((8, 0, 'PCCA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,z * -x,y,1/2-z * 1/2+x,-y,1/2-z * -x,-y,-z * 1/2+x,y,-z * x,-y,1/2+z * 1/2-x,y,1/2+z * end'), 55: ((8, 0, 'PBAM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * -x,-y,-z * x,y,-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * end'), 56: ((8, 0, 'PCCN', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,1/2-y,z * -x,1/2+y,1/2-z * 1/2+x,-y,1/2-z * -x,-y,-z * 1/2+x,1/2+y,-z * x,1/2-y,1/2+z * 1/2-x,y,1/2+z * end'), 57: ((8, 0, 'PBCM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * -x,1/2+y,1/2-z * x,1/2-y,-z * -x,-y,-z * x,y,1/2-z * x,1/2-y,1/2+z * -x,1/2+y,z * end'), 58: ((8, 0, 'PNNM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2-x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2-z * -x,-y,-z * x,y,-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * end'), 59: ((8, 0, 'PMMN', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * 1/2-x,1/2-y,-z * 1/2+x,1/2+y,-z * x,-y,z * -x,y,z * end'), 60: ((8, 0, 'PBCN', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,1/2-y,1/2+z * -x,y,1/2-z * 1/2+x,1/2-y,-z * -x,-y,-z * 1/2+x,1/2+y,1/2-z * x,-y,1/2+z * 1/2-x,1/2+y,z * end'), 61: ((8, 0, 'PBCA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * -x,-y,-z * 1/2+x,y,1/2-z * x,1/2-y,1/2+z * 1/2-x,1/2+y,z * end'), 62: ((8, 0, 'PNMA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,-z * 1/2+x,1/2-y,1/2-z * -x,-y,-z * 1/2+x,y,1/2-z * x,1/2-y,z * 1/2-x,1/2+y,1/2+z * end'), 63: ((8, 1, 'CMCM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,1/2+z * -x,y,1/2-z * x,-y,-z * -x,-y,-z * x,y,1/2-z * x,-y,1/2+z * -x,y,z * 1/2,1/2,0 * end'), 64: ((8, 1, 'CMCA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,1/2-y,1/2+z * -x,1/2+y,1/2-z * x,-y,-z * -x,-y,-z * x,1/2+y,1/2-z * x,1/2-y,1/2+z * -x,y,z * 1/2,1/2,0 * end'), 65: ((8, 1, 'CMMM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * 1/2,1/2,0 * end'), 66: ((8, 1, 'CCCM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,1/2-z * x,-y,1/2-z * -x,-y,-z * x,y,-z * x,-y,1/2+z * -x,y,1/2+z * 1/2,1/2,0 * end'), 67: ((8, 1, 'CMMA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,1/2-y,z * -x,1/2+y,-z * x,-y,-z * -x,-y,-z * x,1/2+y,-z * x,1/2-y,z * -x,y,z * 1/2,1/2,0 * end'), 68: ((8, 1, 'CCCA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,1/2-y,z * -x,y,-z * 1/2+x,1/2-y,-z * -x,1/2-y,1/2-z * 1/2+x,y,1/2-z * x,1/2-y,1/2+z * 1/2-x,y,1/2+z * 1/2,1/2,0 * end'), 69: ((8, 3, 'FMMM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 70: ((8, 3, 'FDDD', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * 1/4-x,1/4-y,1/4-z * 1/4+x,1/4+y,1/4-z * 1/4+x,1/4-y,1/4+z * 1/4-x,1/4+y,1/4+z * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 71: ((8, 1, 'IMMM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * 1/2,1/2,1/2 * end'), 72: ((8, 1, 'IBAM', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,-y,z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * -x,-y,-z * x,y,-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2,1/2,1/2 * end'), 73: ((8, 1, 'IBCA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * -x,-y,-z * 1/2+x,y,1/2-z * x,1/2-y,1/2+z * 1/2-x,1/2+y,z * 1/2,1/2,1/2 * end'), 74: ((8, 1, 'IMMA', 'PGMMM', 'ORTHORHOMBIC'),'x,y,z * -x,1/2-y,z * -x,1/2+y,-z * x,-y,-z * -x,-y,-z * x,1/2+y,-z * x,1/2-y,z * -x,y,z * 1/2,1/2,1/2 * end'), 75: ((4, 0, 'P4', 'PG4', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * end'), 76: ((4, 0, 'P41', 'PG4', 'TETRAGONAL'),'x,y,z * -x,-y,1/2+z * -y,x,1/4+z * y,-x,3/4+z * end'), 77: ((4, 0, 'P42', 'PG4', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * end'), 78: ((4, 0, 'P43', 'PG4', 'TETRAGONAL'),'x,y,z * -x,-y,1/2+z * -y,x,3/4+z * y,-x,1/4+z * end'), 79: ((4, 1, 'I4', 'PG4', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * 1/2,1/2,1/2 * end'), 80: ((4, 1, 'I41', 'PG4', 'TETRAGONAL'),'x,y,z * 1/2-x,1/2-y,1/2+z * -y,1/2+x,1/4+z * 1/2+y,-x,3/4+z * 1/2,1/2,1/2 * end'), 81: ((4, 0, 'P-4', 'PG4BAR', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * end'), 82: ((4, 1, 'I-4', 'PG4BAR', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * 1/2,1/2,1/2 * end'), 83: ((8, 0, 'P4/M', 'PG4/M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * end'), 84: ((8, 0, 'P42/M', 'PG4/M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * -x,-y,-z * x,y,-z * y,-x,1/2-z * -y,x,1/2-z * end'), 85: ((8, 0, 'P4/N', 'PG4/M', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,z * 1/2+y,1/2-x,z * 1/2-x,1/2-y,-z * 1/2+x,1/2+y,-z * y,-x,-z * -y,x,-z * end'), 86: ((8, 0, 'P42/N', 'PG4/M', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * y,-x,-z * -y,x,-z * end'), 87: ((8, 1, 'I4/M', 'PG4/M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * 1/2,1/2,1/2 * end'), 88: ((8, 1, 'I41/A', 'PG4/M', 'TETRAGONAL'),'x,y,z * 1/2-x,1/2-y,1/2+z * -y,1/2+x,1/4+z * 1/2+y,-x,3/4+z * -x,1/2-y,1/4-z * 1/2+x,y,3/4-z * y,-x,-z * 1/2-y,1/2+x,1/2-z * 1/2,1/2,1/2 * end'), 89: ((8, 0, 'P422', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,-z * x,-y,-z * y,x,-z * -y,-x,-z * end'), 90: ((8, 0, 'P4212', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,z * 1/2+y,1/2-x,z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * y,x,-z * -y,-x,-z * end'), 91: ((8, 0, 'P4122', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,1/2+z * -y,x,1/4+z * y,-x,3/4+z * -x,y,-z * x,-y,1/2-z * y,x,3/4-z * -y,-x,1/4-z * end'), 92: ((8, 0, 'P41212', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,1/2+z * 1/2-y,1/2+x,1/4+z * 1/2+y,1/2-x,3/4+z * 1/2-x,1/2+y,1/4-z * 1/2+x,1/2-y,3/4-z * y,x,-z * -y,-x,1/2-z * end'), 93: ((8, 0, 'P4222', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * -x,y,-z * x,-y,-z * y,x,1/2-z * -y,-x,1/2-z * end'), 94: ((8, 0, 'P42212', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * 1/2-x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2-z * y,x,-z * -y,-x,-z * end'), 95: ((8, 0, 'P4322', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,1/2+z * -y,x,3/4+z * y,-x,1/4+z * -x,y,-z * x,-y,1/2-z * y,x,1/4-z * -y,-x,3/4-z * end'), 96: ((8, 0, 'P43212', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,1/2+z * 1/2-y,1/2+x,3/4+z * 1/2+y,1/2-x,1/4+z * 1/2-x,1/2+y,3/4-z * 1/2+x,1/2-y,1/4-z * y,x,-z * -y,-x,1/2-z * end'), 97: ((8, 1, 'I422', 'PG422', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,-z * x,-y,-z * y,x,-z * -y,-x,-z * 1/2,1/2,1/2 * end'), 98: ((8, 1, 'I4122', 'PG422', 'TETRAGONAL'),'x,y,z * 1/2-x,1/2-y,1/2+z * -y,1/2+x,1/4+z * 1/2+y,-x,3/4+z * 1/2-x,y,3/4-z * x,1/2-y,1/4-z * 1/2+y,1/2+x,1/2-z * -y,-x,-z * 1/2,1/2,1/2 * end'), 99: ((8, 0, 'P4MM', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * x,-y,z * -x,y,z * -y,-x,z * y,x,z * end'), 100: ((8, 0, 'P4BM', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2-y,1/2-x,z * 1/2+y,1/2+x,z * end'), 101: ((8, 0, 'P42CM', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * x,-y,1/2+z * -x,y,1/2+z * -y,-x,z * y,x,z * end'), 102: ((8, 0, 'P42NM', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * -y,-x,z * y,x,z * end'), 103: ((8, 0, 'P4CC', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * x,-y,1/2+z * -x,y,1/2+z * -y,-x,1/2+z * y,x,1/2+z * end'), 104: ((8, 0, 'P4NC', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 105: ((8, 0, 'P42MC', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * x,-y,z * -x,y,z * -y,-x,1/2+z * y,x,1/2+z * end'), 106: ((8, 0, 'P42BC', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 107: ((8, 1, 'I4MM', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * x,-y,z * -x,y,z * -y,-x,z * y,x,z * 1/2,1/2,1/2 * end'), 108: ((8, 1, 'I4CM', 'PG4MM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * x,-y,1/2+z * -x,y,1/2+z * -y,-x,1/2+z * y,x,1/2+z * 1/2,1/2,1/2 * end'), 109: ((8, 1, 'I41MD', 'PG4MM', 'TETRAGONAL'),'x,y,z * 1/2-x,1/2-y,1/2+z * -y,1/2+x,1/4+z * 1/2+y,-x,3/4+z * x,-y,z * 1/2-x,1/2+y,1/2+z * -y,1/2-x,1/4+z * 1/2+y,x,3/4+z * 1/2,1/2,1/2 * end'), 110: ((8, 1, 'I41CD', 'PG4MM', 'TETRAGONAL'),'x,y,z * 1/2-x,1/2-y,1/2+z * -y,1/2+x,1/4+z * 1/2+y,-x,3/4+z * x,-y,1/2+z * 1/2-x,1/2+y,z * -y,1/2-x,3/4+z * 1/2+y,x,1/4+z * 1/2,1/2,1/2 * end'), 111: ((8, 0, 'P-42M', 'PG4BAR2M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * -x,y,-z * x,-y,-z * -y,-x,z * y,x,z * end'), 112: ((8, 0, 'P-42C', 'PG4BAR2M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * -x,y,1/2-z * x,-y,1/2-z * -y,-x,1/2+z * y,x,1/2+z * end'), 113: ((8, 0, 'P-421M', 'PG4BAR2M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * 1/2-y,1/2-x,z * 1/2+y,1/2+x,z * end'), 114: ((8, 0, 'P-421C', 'PG4BAR2M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * 1/2-x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2-z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 115: ((8, 0, 'P-4M2', 'PG4BARM2', 'TETRAGONAL'),'x,y,z * -x,-y,z * y,-x,-z * -y,x,-z * x,-y,z * -x,y,z * y,x,-z * -y,-x,-z * end'), 116: ((8, 0, 'P-4C2', 'PG4BARM2', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * x,-y,1/2+z * -x,y,1/2+z * y,x,1/2-z * -y,-x,1/2-z * end'), 117: ((8, 0, 'P-4B2', 'PG4BARM2', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2+y,1/2+x,-z * 1/2-y,1/2-x,-z * end'), 118: ((8, 0, 'P-4N2', 'PG4BARM2', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * end'), 119: ((8, 1, 'I-4M2', 'PG4BARM2', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * x,-y,z * -x,y,z * y,x,-z * -y,-x,-z * 1/2,1/2,1/2 * end'), 120: ((8, 1, 'I-4C2', 'PG4BARM2', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * x,-y,1/2+z * -x,y,1/2+z * y,x,1/2-z * -y,-x,1/2-z * 1/2,1/2,1/2 * end'), 121: ((8, 1, 'I-42M', 'PG4BAR2M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * -x,y,-z * x,-y,-z * -y,-x,z * y,x,z * 1/2,1/2,1/2 * end'), 122: ((8, 1, 'I-42D', 'PG4BAR2M', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,-z * y,-x,-z * 1/2-x,y,3/4-z * 1/2+x,-y,3/4-z * 1/2-y,-x,3/4+z * 1/2+y,x,3/4+z * 1/2,1/2,1/2 * end'), 123: ((16, 0, 'P4/MMM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,-z * x,-y,-z * y,x,-z * -y,-x,-z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * x,-y,z * -x,y,z * -y,-x,z * y,x,z * end'), 124: ((16, 0, 'P4/MCC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,1/2-z * x,-y,1/2-z * y,x,1/2-z * -y,-x,1/2-z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * x,-y,1/2+z * -x,y,1/2+z * -y,-x,1/2+z * y,x,1/2+z * end'), 125: ((16, 0, 'P4/NBM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,-z * x,-y,-z * y,x,-z * -y,-x,-z * 1/2-x,1/2-y,-z * 1/2+x,1/2+y,-z * 1/2+y,1/2-x,-z * 1/2-y,1/2+x,-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2-y,1/2-x,z * 1/2+y,1/2+x,z * end'), 126: ((16, 0, 'P4/NNC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,-z * x,-y,-z * y,x,-z * -y,-x,-z * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * 1/2+y,1/2-x,1/2-z * 1/2-y,1/2+x,1/2-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 127: ((16, 0, 'P4/MBM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * 1/2+y,1/2+x,-z * 1/2-y,1/2-x,-z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2-y,1/2-x,z * 1/2+y,1/2+x,z * end'), 128: ((16, 0, 'P4/MNC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * 1/2-x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2-z * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 129: ((16, 0, 'P4/NMM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,z * 1/2+y,1/2-x,z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * y,x,-z * -y,-x,-z * 1/2-x,1/2-y,-z * 1/2+x,1/2+y,-z * y,-x,-z * -y,x,-z * x,-y,z * -x,y,z * 1/2-y,1/2-x,z * 1/2+y,1/2+x,z * end'), 130: ((16, 0, 'P4/NCC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,z * 1/2+y,1/2-x,z * 1/2-x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2-z * y,x,1/2-z * -y,-x,1/2-z * 1/2-x,1/2-y,-z * 1/2+x,1/2+y,-z * y,-x,-z * -y,x,-z * x,-y,1/2+z * -x,y,1/2+z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 131: ((16, 0, 'P42/MMC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * -x,y,-z * x,-y,-z * y,x,1/2-z * -y,-x,1/2-z * -x,-y,-z * x,y,-z * y,-x,1/2-z * -y,x,1/2-z * x,-y,z * -x,y,z * -y,-x,1/2+z * y,x,1/2+z * end'), 132: ((16, 0, 'P42/MCM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * -x,y,1/2-z * x,-y,1/2-z * y,x,-z * -y,-x,-z * -x,-y,-z * x,y,-z * y,-x,1/2-z * -y,x,1/2-z * x,-y,1/2+z * -x,y,1/2+z * -y,-x,z * y,x,z * end'), 133: ((16, 0, 'P42/NBC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * -x,y,1/2-z * x,-y,1/2-z * 1/2+y,1/2+x,-z * 1/2-y,1/2-x,-z * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * y,-x,-z * -y,x,-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * -y,-x,1/2+z * y,x,1/2+z * end'), 134: ((16, 0, 'P42/NNM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * -x,y,-z * x,-y,-z * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * y,-x,-z * -y,x,-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * -y,-x,z * y,x,z * end'), 135: ((16, 0, 'P42/MBC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,1/2+z * y,-x,1/2+z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * -x,-y,-z * x,y,-z * y,-x,1/2-z * -y,x,1/2-z * 1/2+x,1/2-y,z * 1/2-x,1/2+y,z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 136: ((16, 0, 'P42/MNM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * 1/2-x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2-z * y,x,-z * -y,-x,-z * -x,-y,-z * x,y,-z * 1/2+y,1/2-x,1/2-z * 1/2-y,1/2+x,1/2-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * -y,-x,z * y,x,z * end'), 137: ((16, 0, 'P42/NMC', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * 1/2-x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2-z * y,x,-z * -y,-x,-z * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * y,-x,-z * -y,x,-z * x,-y,z * -x,y,z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * end'), 138: ((16, 0, 'P42/NCM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * 1/2-y,1/2+x,1/2+z * 1/2+y,1/2-x,1/2+z * 1/2-x,1/2+y,-z * 1/2+x,1/2-y,-z * y,x,1/2-z * -y,-x,1/2-z * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * y,-x,-z * -y,x,-z * x,-y,1/2+z * -x,y,1/2+z * 1/2-y,1/2-x,z * 1/2+y,1/2+x,z * end'), 139: ((16, 1, 'I4/MMM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,-z * x,-y,-z * y,x,-z * -y,-x,-z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * x,-y,z * -x,y,z * -y,-x,z * y,x,z * 1/2,1/2,1/2 * end'), 140: ((16, 1, 'I4/MCM', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * -x,-y,z * -y,x,z * y,-x,z * -x,y,1/2-z * x,-y,1/2-z * y,x,1/2-z * -y,-x,1/2-z * -x,-y,-z * x,y,-z * y,-x,-z * -y,x,-z * x,-y,1/2+z * -x,y,1/2+z * -y,-x,1/2+z * y,x,1/2+z * 1/2,1/2,1/2 * end'), 141: ((16, 1, 'I41/AMD', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * 1/2-x,1/2-y,1/2+z * -y,1/2+x,1/4+z * 1/2+y,-x,3/4+z * 1/2-x,y,3/4-z * x,1/2-y,1/4-z * 1/2+y,1/2+x,1/2-z * -y,-x,-z * -x,1/2-y,1/4-z * 1/2+x,y,3/4-z * y,-x,-z * 1/2-y,1/2+x,1/2-z * 1/2+x,1/2-y,1/2+z * -x,y,z * 1/2-y,-x,3/4+z * y,1/2+x,1/4+z * 1/2,1/2,1/2 * end'), 142: ((16, 1, 'I41/ACD', 'PG4/MMM', 'TETRAGONAL'),'x,y,z * 1/2-x,1/2-y,1/2+z * -y,1/2+x,1/4+z * 1/2+y,-x,3/4+z * 1/2-x,y,1/4-z * x,1/2-y,3/4-z * 1/2+y,1/2+x,-z * -y,-x,1/2-z * -x,1/2-y,1/4-z * 1/2+x,y,3/4-z * y,-x,-z * 1/2-y,1/2+x,1/2-z * 1/2+x,1/2-y,z * -x,y,1/2+z * 1/2-y,-x,1/4+z * y,1/2+x,3/4+z * 1/2,1/2,1/2 * end'), 143: ((3, 0, 'P3', 'PG3', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * end'), 144: ((3, 0, 'P31', 'PG3', 'TRIGONAL'),'x,y,z * -y,x-y,1/3+z * y-x,-x,2/3+z * end'), 145: ((3, 0, 'P32', 'PG3', 'TRIGONAL'),'x,y,z * -y,x-y,2/3+z * y-x,-x,1/3+z * end'), 146: ((3, 2, 'R3', 'PG3', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * 2/3,1/3,1/3 * 1/3,2/3,2/3 * end'), 146.1: ((3, 0, 'R3_R', 'PG3', 'RHOMBOHEDRAL'),'x,y,z * z,x,y * y,z,x * end'), 147: ((6, 0, 'P-3', 'PG3BAR', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,-z * y,y-x,-z * x-y,x,-z * end'), 148: ((6, 2, 'R-3', 'PG3BAR', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,-z * y,y-x,-z * x-y,x,-z * 2/3,1/3,1/3 * 1/3,2/3,2/3 * end'), 148.1: ((6, 0, 'R-3_R', 'PG3BAR', 'RHOMBOHEDRAL'),'x,y,z * z,x,y * y,z,x * -x,-y,-z * -z,-x,-y * -y,-z,-x * end'), 149: ((6, 0, 'P312', 'PG312', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -y,-x,-z * y-x,y,-z * x,x-y,-z * end'), 150: ((6, 0, 'P321', 'PG321', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,-z * x-y,-y,-z * -x,y-x,-z * end'), 151: ((6, 0, 'P3112', 'PG312', 'TRIGONAL'),'x,y,z * -y,x-y,1/3+z * y-x,-x,2/3+z * -y,-x,2/3-z * y-x,y,1/3-z * x,x-y,-z * end'), 152: ((6, 0, 'P3121', 'PG321', 'TRIGONAL'),'x,y,z * -y,x-y,1/3+z * y-x,-x,2/3+z * y,x,-z * x-y,-y,2/3-z * -x,y-x,1/3-z * end'), 153: ((6, 0, 'P3212', 'PG312', 'TRIGONAL'),'x,y,z * -y,x-y,2/3+z * y-x,-x,1/3+z * -y,-x,1/3-z * y-x,y,2/3-z * x,x-y,-z * end'), 154: ((6, 0, 'P3221', 'PG321', 'TRIGONAL'),'x,y,z * -y,x-y,2/3+z * y-x,-x,1/3+z * y,x,-z * x-y,-y,1/3-z * -x,y-x,2/3-z * end'), 155: ((6, 2, 'R32', 'PG32', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,-z * x-y,-y,-z * -x,y-x,-z * 2/3,1/3,1/3 * 1/3,2/3,2/3 * end'), 155.1: ((6, 0, 'R32_R', 'PG32', 'RHOMBOHEDRAL'),'x,y,z * z,x,y * y,z,x * -y,-x,-z * -x,-z,-y * -z,-y,-x * end'), 156: ((6, 0, 'P3M1', 'PG3M1', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -y,-x,z * y-x,y,z * x,x-y,z * end'), 157: ((6, 0, 'P31M', 'PG31M', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,z * x-y,-y,z * -x,y-x,z * end'), 158: ((6, 0, 'P3C1', 'PG3M1', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * end'), 159: ((6, 0, 'P31C', 'PG31M', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,1/2+z * x-y,-y,1/2+z * -x,y-x,1/2+z * end'), 160: ((6, 2, 'R3M', 'PG3M', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -y,-x,z * y-x,y,z * x,x-y,z * 2/3,1/3,1/3 * 1/3,2/3,2/3 * end'), 160.1: ((6, 0, 'R3M_R', 'PG3M', 'RHOMBOHEDRAL'),'x,y,z * z,x,y * y,z,x * y,x,z * x,z,y * z,y,x * end'), 161: ((6, 2, 'R3C', 'PG3M', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * 2/3,1/3,1/3 * 1/3,2/3,2/3 * end'), 161.1: ((6, 0, 'R3C_R', 'PG3M', 'RHOMBOHEDRAL'),'x,y,z * z,x,y * y,z,x * 1/2+y,1/2+x,1/2+z * 1/2+x,1/2+z,1/2+y * 1/2+z,1/2+y,1/2+x * end'), 162: ((12, 0, 'P-31M', 'PG3BAR1M', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -y,-x,-z * y-x,y,-z * x,x-y,-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * y,x,z * x-y,-y,z * -x,y-x,z * end'), 163: ((12, 0, 'P-31C', 'PG3BAR1M', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -y,-x,1/2-z * y-x,y,1/2-z * x,x-y,1/2-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * y,x,1/2+z * x-y,-y,1/2+z * -x,y-x,1/2+z * end'), 164: ((12, 0, 'P-3M1', 'PG3BARM1', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,-z * x-y,-y,-z * -x,y-x,-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * -y,-x,z * y-x,y,z * x,x-y,z * end'), 165: ((12, 0, 'P-3C1', 'PG3BARM1', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,1/2-z * x-y,-y,1/2-z * -x,y-x,1/2-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * end'), 166: ((12, 2, 'R-3M', 'PG3BARM', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,-z * x-y,-y,-z * -x,y-x,-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * -y,-x,z * y-x,y,z * x,x-y,z * 2/3,1/3,1/3 * 1/3,2/3,2/3 * end'), 166.1: ((12, 0, 'R-3M_R', 'PG3BARM', 'RHOMBOHEDRAL'),'x,y,z * z,x,y * y,z,x * -y,-x,-z * -x,-z,-y * -z,-y,-x * -x,-y,-z * -z,-x,-y * -y,-z,-x * y,x,z * x,z,y * z,y,x * end'), 167: ((12, 2, 'R-3C', 'PG3BARM', 'TRIGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * y,x,1/2-z * x-y,-y,1/2-z * -x,y-x,1/2-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * 2/3,1/3,1/3 * 1/3,2/3,2/3 * end'), 167.1: ((12, 0, 'R-3C_R', 'PG3BARM', 'RHOMBOHEDRAL'),'x,y,z * z,x,y * y,z,x * 1/2-y,1/2-x,1/2-z * 1/2-x,1/2-z,1/2-y * 1/2-z,1/2-y,1/2-x * -x,-y,-z * -z,-x,-y * -y,-z,-x * 1/2+y,1/2+x,1/2+z * 1/2+x,1/2+z,1/2+y * 1/2+z,1/2+y,1/2+x * end'), 168: ((6, 0, 'P6', 'PG6', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,z * y,y-x,z * x-y,x,z * end'), 169: ((6, 0, 'P61', 'PG6', 'HEXAGONAL'),'x,y,z * -y,x-y,1/3+z * y-x,-x,2/3+z * -x,-y,1/2+z * y,y-x,5/6+z * x-y,x,1/6+z * end'), 170: ((6, 0, 'P65', 'PG6', 'HEXAGONAL'),'x,y,z * -y,x-y,2/3+z * y-x,-x,1/3+z * -x,-y,1/2+z * y,y-x,1/6+z * x-y,x,5/6+z * end'), 171: ((6, 0, 'P62', 'PG6', 'HEXAGONAL'),'x,y,z * -y,x-y,2/3+z * y-x,-x,1/3+z * -x,-y,z * y,y-x,2/3+z * x-y,x,1/3+z * end'), 172: ((6, 0, 'P64', 'PG6', 'HEXAGONAL'),'x,y,z * -y,x-y,1/3+z * y-x,-x,2/3+z * -x,-y,z * y,y-x,1/3+z * x-y,x,2/3+z * end'), 173: ((6, 0, 'P63', 'PG6', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,1/2+z * y,y-x,1/2+z * x-y,x,1/2+z * end'), 174: ((6, 0, 'P-6', 'PG6BAR', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * x,y,-z * -y,x-y,-z * y-x,-x,-z * end'), 175: ((12, 0, 'P6/M', 'PG6/M', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,z * y,y-x,z * x-y,x,z * -x,-y,-z * y,y-x,-z * x-y,x,-z * x,y,-z * -y,x-y,-z * y-x,-x,-z * end'), 176: ((12, 0, 'P63/M', 'PG6/M', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,1/2+z * y,y-x,1/2+z * x-y,x,1/2+z * -x,-y,-z * y,y-x,-z * x-y,x,-z * x,y,1/2-z * -y,x-y,1/2-z * y-x,-x,1/2-z * end'), 177: ((12, 0, 'P622', 'PG622', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,z * y,y-x,z * x-y,x,z * y,x,-z * x-y,-y,-z * -x,y-x,-z * -y,-x,-z * y-x,y,-z * x,x-y,-z * end'), 178: ((12, 0, 'P6122', 'PG622', 'HEXAGONAL'),'x,y,z * -y,x-y,1/3+z * y-x,-x,2/3+z * -x,-y,1/2+z * y,y-x,5/6+z * x-y,x,1/6+z * y,x,1/3-z * x-y,-y,-z * -x,y-x,2/3-z * -y,-x,5/6-z * y-x,y,1/2-z * x,x-y,1/6-z * end'), 179: ((12, 0, 'P6522', 'PG622', 'HEXAGONAL'),'x,y,z * -y,x-y,2/3+z * y-x,-x,1/3+z * -x,-y,1/2+z * y,y-x,1/6+z * x-y,x,5/6+z * y,x,2/3-z * x-y,-y,-z * -x,y-x,1/3-z * -y,-x,1/6-z * y-x,y,1/2-z * x,x-y,5/6-z * end'), 180: ((12, 0, 'P6222', 'PG622', 'HEXAGONAL'),'x,y,z * -y,x-y,2/3+z * y-x,-x,1/3+z * -x,-y,z * y,y-x,2/3+z * x-y,x,1/3+z * y,x,2/3-z * x-y,-y,-z * -x,y-x,1/3-z * -y,-x,2/3-z * y-x,y,-z * x,x-y,1/3-z * end'), 181: ((12, 0, 'P6422', 'PG622', 'HEXAGONAL'),'x,y,z * -y,x-y,1/3+z * y-x,-x,2/3+z * -x,-y,z * y,y-x,1/3+z * x-y,x,2/3+z * y,x,1/3-z * x-y,-y,-z * -x,y-x,2/3-z * -y,-x,1/3-z * y-x,y,-z * x,x-y,2/3-z * end'), 182: ((12, 0, 'P6322', 'PG622', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,1/2+z * y,y-x,1/2+z * x-y,x,1/2+z * y,x,-z * x-y,-y,-z * -x,y-x,-z * -y,-x,1/2-z * y-x,y,1/2-z * x,x-y,1/2-z * end'), 183: ((12, 0, 'P6MM', 'PG6MM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,z * y,y-x,z * x-y,x,z * -y,-x,z * y-x,y,z * x,x-y,z * y,x,z * x-y,-y,z * -x,y-x,z * end'), 184: ((12, 0, 'P6CC', 'PG6MM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,z * y,y-x,z * x-y,x,z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * y,x,1/2+z * x-y,-y,1/2+z * -x,y-x,1/2+z * end'), 185: ((12, 0, 'P63CM', 'PG6MM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,1/2+z * y,y-x,1/2+z * x-y,x,1/2+z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * y,x,z * x-y,-y,z * -x,y-x,z * end'), 186: ((12, 0, 'P63MC', 'PG6MM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,1/2+z * y,y-x,1/2+z * x-y,x,1/2+z * -y,-x,z * y-x,y,z * x,x-y,z * y,x,1/2+z * x-y,-y,1/2+z * -x,y-x,1/2+z * end'), 187: ((12, 0, 'P-6M2', 'PG6BARM2', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * x,y,-z * -y,x-y,-z * y-x,-x,-z * -y,-x,z * y-x,y,z * x,x-y,z * -y,-x,-z * y-x,y,-z * x,x-y,-z * end'), 188: ((12, 0, 'P-6C2', 'PG6BARM2', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * x,y,1/2-z * -y,x-y,1/2-z * y-x,-x,1/2-z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * -y,-x,-z * y-x,y,-z * x,x-y,-z * end'), 189: ((12, 0, 'P-62M', 'PG6BAR2M', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * x,y,-z * -y,x-y,-z * y-x,-x,-z * y,x,-z * x-y,-y,-z * -x,y-x,-z * y,x,z * x-y,-y,z * -x,y-x,z * end'), 190: ((12, 0, 'P-62C', 'PG6BAR2M', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * x,y,1/2-z * -y,x-y,1/2-z * y-x,-x,1/2-z * y,x,-z * x-y,-y,-z * -x,y-x,-z * y,x,1/2+z * x-y,-y,1/2+z * -x,y-x,1/2+z * end'), 191: ((24, 0, 'P6/MMM', 'PG6/MMM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,z * y,y-x,z * x-y,x,z * y,x,-z * x-y,-y,-z * -x,y-x,-z * -y,-x,-z * y-x,y,-z * x,x-y,-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * x,y,-z * y-x,-x,-z * -y,x-y,-z * -y,-x,z * y-x,y,z * x,x-y,z * y,x,z * x-y,-y,z * -x,y-x,z * end'), 192: ((24, 0, 'P6/MCC', 'PG6/MMM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,z * y,y-x,z * x-y,x,z * y,x,1/2-z * x-y,-y,1/2-z * -x,y-x,1/2-z * -y,-x,1/2-z * y-x,y,1/2-z * x,x-y,1/2-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * x,y,-z * y-x,-x,-z * -y,x-y,-z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * y,x,1/2+z * x-y,-y,1/2+z * -x,y-x,1/2+z * end'), 193: ((24, 0, 'P63/MCM', 'PG6/MMM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,1/2+z * y,y-x,1/2+z * x-y,x,1/2+z * y,x,1/2-z * x-y,-y,1/2-z * -x,y-x,1/2-z * -y,-x,-z * y-x,y,-z * x,x-y,-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * x,y,1/2-z * y-x,-x,1/2-z * -y,x-y,1/2-z * -y,-x,1/2+z * y-x,y,1/2+z * x,x-y,1/2+z * y,x,z * x-y,-y,z * -x,y-x,z * end'), 194: ((24, 0, 'P63/MMC', 'PG6/MMM', 'HEXAGONAL'),'x,y,z * -y,x-y,z * y-x,-x,z * -x,-y,1/2+z * y,y-x,1/2+z * x-y,x,1/2+z * y,x,-z * x-y,-y,-z * -x,y-x,-z * -y,-x,1/2-z * y-x,y,1/2-z * x,x-y,1/2-z * -x,-y,-z * y,y-x,-z * x-y,x,-z * x,y,1/2-z * y-x,-x,1/2-z * -y,x-y,1/2-z * -y,-x,z * y-x,y,z * x,x-y,z * y,x,1/2+z * x-y,-y,1/2+z * -x,y-x,1/2+z * end'), 195: ((12, 0, 'P23', 'PG23', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * end'), 196: ((12, 3, 'F23', 'PG23', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 197: ((12, 1, 'I23', 'PG23', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2,1/2,1/2 * end'), 198: ((12, 0, 'P213', 'PG23', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * end'), 199: ((12, 1, 'I213', 'PG23', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * 1/2,1/2,1/2 * end'), 200: ((24, 0, 'PM-3', 'PGM3BAR', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * end'), 201: ((24, 0, 'PN-3', 'PGM3BAR', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * 1/2-z,1/2-x,1/2-y * 1/2-z,1/2+x,1/2+y * 1/2+z,1/2+x,1/2-y * 1/2+z,1/2-x,1/2+y * 1/2-y,1/2-z,1/2-x * 1/2+y,1/2-z,1/2+x * 1/2-y,1/2+z,1/2+x * 1/2+y,1/2+z,1/2-x * end'), 202: ((24, 3, 'FM-3', 'PGM3BAR', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 203: ((24, 3, 'FD-3', 'PGM3BAR', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/4-x,1/4-y,1/4-z * 1/4+x,1/4+y,1/4-z * 1/4+x,1/4-y,1/4+z * 1/4-x,1/4+y,1/4+z * 1/4-z,1/4-x,1/4-y * 1/4-z,1/4+x,1/4+y * 1/4+z,1/4+x,1/4-y * 1/4+z,1/4-x,1/4+y * 1/4-y,1/4-z,1/4-x * 1/4+y,1/4-z,1/4+x * 1/4-y,1/4+z,1/4+x * 1/4+y,1/4+z,1/4-x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 204: ((24, 1, 'IM-3', 'PGM3BAR', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * 1/2,1/2,1/2 * end'), 205: ((24, 0, 'PA-3', 'PGM3BAR', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * -x,-y,-z * 1/2+x,y,1/2-z * x,1/2-y,1/2+z * 1/2-x,1/2+y,z * -z,-x,-y * 1/2-z,1/2+x,y * 1/2+z,x,1/2-y * z,1/2-x,1/2+y * -y,-z,-x * y,1/2-z,1/2+x * 1/2-y,1/2+z,x * 1/2+y,z,1/2-x * end'), 206: ((24, 1, 'IA-3', 'PGM3BAR', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * -x,-y,-z * 1/2+x,y,1/2-z * x,1/2-y,1/2+z * 1/2-x,1/2+y,z * -z,-x,-y * 1/2-z,1/2+x,y * 1/2+z,x,1/2-y * z,1/2-x,1/2+y * -y,-z,-x * y,1/2-z,1/2+x * 1/2-y,1/2+z,x * 1/2+y,z,1/2-x * 1/2,1/2,1/2 * end'), 207: ((24, 0, 'P432', 'PG432', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,-z * -y,-x,-z * y,-x,z * -y,x,z * x,z,-y * -x,z,y * -x,-z,-y * x,-z,y * z,y,-x * z,-y,x * -z,y,x * -z,-y,-x * end'), 208: ((24, 0, 'P4232', 'PG432', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * 1/2+y,1/2-x,1/2+z * 1/2-y,1/2+x,1/2+z * 1/2+x,1/2+z,1/2-y * 1/2-x,1/2+z,1/2+y * 1/2-x,1/2-z,1/2-y * 1/2+x,1/2-z,1/2+y * 1/2+z,1/2+y,1/2-x * 1/2+z,1/2-y,1/2+x * 1/2-z,1/2+y,1/2+x * 1/2-z,1/2-y,1/2-x * end'), 209: ((24, 3, 'F432', 'PG432', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,-z * -y,-x,-z * y,-x,z * -y,x,z * x,z,-y * -x,z,y * -x,-z,-y * x,-z,y * z,y,-x * z,-y,x * -z,y,x * -z,-y,-x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 210: ((24, 3, 'F4132', 'PG432', 'CUBIC'),'x,y,z * -x,1/2-y,1/2+z * 1/2-x,1/2+y,-z * 1/2+x,-y,1/2-z * z,x,y * 1/2+z,-x,1/2-y * -z,1/2-x,1/2+y * 1/2-z,1/2+x,-y * y,z,x * 1/2-y,1/2+z,-x * 1/2+y,-z,1/2-x * -y,1/2-z,1/2+x * 3/4+y,1/4+x,3/4-z * 1/4-y,1/4-x,1/4-z * 1/4+y,3/4-x,3/4+z * 3/4-y,3/4+x,1/4+z * 3/4+x,1/4+z,3/4-y * 3/4-x,3/4+z,1/4+y * 1/4-x,1/4-z,1/4-y * 1/4+x,3/4-z,3/4+y * 3/4+z,1/4+y,3/4-x * 1/4+z,3/4-y,3/4+x * 3/4-z,3/4+y,1/4+x * 1/4-z,1/4-y,1/4-x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 211: ((24, 1, 'I432', 'PG432', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,-z * -y,-x,-z * y,-x,z * -y,x,z * x,z,-y * -x,z,y * -x,-z,-y * x,-z,y * z,y,-x * z,-y,x * -z,y,x * -z,-y,-x * 1/2,1/2,1/2 * end'), 212: ((24, 0, 'P4332', 'PG432', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * 1/4+y,3/4+x,3/4-z * 1/4-y,1/4-x,1/4-z * 3/4+y,3/4-x,1/4+z * 3/4-y,1/4+x,3/4+z * 1/4+x,3/4+z,3/4-y * 3/4-x,1/4+z,3/4+y * 1/4-x,1/4-z,1/4-y * 3/4+x,3/4-z,1/4+y * 1/4+z,3/4+y,3/4-x * 3/4+z,3/4-y,1/4+x * 3/4-z,1/4+y,3/4+x * 1/4-z,1/4-y,1/4-x * end'), 213: ((24, 0, 'P4132', 'PG432', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * 3/4+y,1/4+x,1/4-z * 3/4-y,3/4-x,3/4-z * 1/4+y,1/4-x,3/4+z * 1/4-y,3/4+x,1/4+z * 3/4+x,1/4+z,1/4-y * 1/4-x,3/4+z,1/4+y * 3/4-x,3/4-z,3/4-y * 1/4+x,1/4-z,3/4+y * 3/4+z,1/4+y,1/4-x * 1/4+z,1/4-y,3/4+x * 1/4-z,3/4+y,1/4+x * 3/4-z,3/4-y,3/4-x * end'), 214: ((24, 1, 'I4132', 'PG432', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * 3/4+y,1/4+x,1/4-z * 3/4-y,3/4-x,3/4-z * 1/4+y,1/4-x,3/4+z * 1/4-y,3/4+x,1/4+z * 3/4+x,1/4+z,1/4-y * 1/4-x,3/4+z,1/4+y * 3/4-x,3/4-z,3/4-y * 1/4+x,1/4-z,3/4+y * 3/4+z,1/4+y,1/4-x * 1/4+z,1/4-y,3/4+x * 1/4-z,3/4+y,1/4+x * 3/4-z,3/4-y,3/4-x * 1/2,1/2,1/2 * end'), 215: ((24, 0, 'P-43M', 'PG4BAR3M', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,z * -y,-x,z * y,-x,-z * -y,x,-z * x,z,y * -x,z,-y * -x,-z,y * x,-z,-y * z,y,x * z,-y,-x * -z,y,-x * -z,-y,x * end'), 216: ((24, 3, 'F-43M', 'PG4BAR3M', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,z * -y,-x,z * y,-x,-z * -y,x,-z * x,z,y * -x,z,-y * -x,-z,y * x,-z,-y * z,y,x * z,-y,-x * -z,y,-x * -z,-y,x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 217: ((24, 1, 'I-43M', 'PG4BAR3M', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,z * -y,-x,z * y,-x,-z * -y,x,-z * x,z,y * -x,z,-y * -x,-z,y * x,-z,-y * z,y,x * z,-y,-x * -z,y,-x * -z,-y,x * 1/2,1/2,1/2 * end'), 218: ((24, 0, 'P-43N', 'PG4BAR3M', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2+y,1/2+x,1/2+z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2-x,1/2-z * 1/2-y,1/2+x,1/2-z * 1/2+x,1/2+z,1/2+y * 1/2-x,1/2+z,1/2-y * 1/2-x,1/2-z,1/2+y * 1/2+x,1/2-z,1/2-y * 1/2+z,1/2+y,1/2+x * 1/2+z,1/2-y,1/2-x * 1/2-z,1/2+y,1/2-x * 1/2-z,1/2-y,1/2+x * end'), 219: ((24, 3, 'F-43C', 'PG4BAR3M', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2+y,1/2+x,1/2+z * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2-x,1/2-z * 1/2-y,1/2+x,1/2-z * 1/2+x,1/2+z,1/2+y * 1/2-x,1/2+z,1/2-y * 1/2-x,1/2-z,1/2+y * 1/2+x,1/2-z,1/2-y * 1/2+z,1/2+y,1/2+x * 1/2+z,1/2-y,1/2-x * 1/2-z,1/2+y,1/2-x * 1/2-z,1/2-y,1/2+x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 220: ((24, 1, 'I-43D', 'PG4BAR3M', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * 1/4+y,1/4+x,1/4+z * 1/4-y,3/4-x,3/4+z * 3/4+y,1/4-x,3/4-z * 3/4-y,3/4+x,1/4-z * 1/4+x,1/4+z,1/4+y * 3/4-x,3/4+z,1/4-y * 1/4-x,3/4-z,3/4+y * 3/4+x,1/4-z,3/4-y * 1/4+z,1/4+y,1/4+x * 3/4+z,1/4-y,3/4-x * 3/4-z,3/4+y,1/4-x * 1/4-z,3/4-y,3/4+x * 1/2,1/2,1/2 * end'), 221: ((48, 0, 'PM-3M', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,-z * -y,-x,-z * y,-x,z * -y,x,z * x,z,-y * -x,z,y * -x,-z,-y * x,-z,y * z,y,-x * z,-y,x * -z,y,x * -z,-y,-x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * -y,-x,z * y,x,z * -y,x,-z * y,-x,-z * -x,-z,y * x,-z,-y * x,z,y * -x,z,-y * -z,-y,x * -z,y,-x * z,-y,-x * z,y,x * end'), 222: ((48, 0, 'PN-3N', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,-z * -y,-x,-z * y,-x,z * -y,x,z * x,z,-y * -x,z,y * -x,-z,-y * x,-z,y * z,y,-x * z,-y,x * -z,y,x * -z,-y,-x * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * 1/2-z,1/2-x,1/2-y * 1/2-z,1/2+x,1/2+y * 1/2+z,1/2+x,1/2-y * 1/2+z,1/2-x,1/2+y * 1/2-y,1/2-z,1/2-x * 1/2+y,1/2-z,1/2+x * 1/2-y,1/2+z,1/2+x * 1/2+y,1/2+z,1/2-x * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * 1/2-y,1/2+x,1/2-z * 1/2+y,1/2-x,1/2-z * 1/2-x,1/2-z,1/2+y * 1/2+x,1/2-z,1/2-y * 1/2+x,1/2+z,1/2+y * 1/2-x,1/2+z,1/2-y * 1/2-z,1/2-y,1/2+x * 1/2-z,1/2+y,1/2-x * 1/2+z,1/2-y,1/2-x * 1/2+z,1/2+y,1/2+x * end'), 223: ((48, 0, 'PM-3N', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * 1/2+y,1/2-x,1/2+z * 1/2-y,1/2+x,1/2+z * 1/2+x,1/2+z,1/2-y * 1/2-x,1/2+z,1/2+y * 1/2-x,1/2-z,1/2-y * 1/2+x,1/2-z,1/2+y * 1/2+z,1/2+y,1/2-x * 1/2+z,1/2-y,1/2+x * 1/2-z,1/2+y,1/2+x * 1/2-z,1/2-y,1/2-x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * 1/2-y,1/2+x,1/2-z * 1/2+y,1/2-x,1/2-z * 1/2-x,1/2-z,1/2+y * 1/2+x,1/2-z,1/2-y * 1/2+x,1/2+z,1/2+y * 1/2-x,1/2+z,1/2-y * 1/2-z,1/2-y,1/2+x * 1/2-z,1/2+y,1/2-x * 1/2+z,1/2-y,1/2-x * 1/2+z,1/2+y,1/2+x * end'), 224: ((48, 0, 'PN-3M', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * 1/2+y,1/2-x,1/2+z * 1/2-y,1/2+x,1/2+z * 1/2+x,1/2+z,1/2-y * 1/2-x,1/2+z,1/2+y * 1/2-x,1/2-z,1/2-y * 1/2+x,1/2-z,1/2+y * 1/2+z,1/2+y,1/2-x * 1/2+z,1/2-y,1/2+x * 1/2-z,1/2+y,1/2+x * 1/2-z,1/2-y,1/2-x * 1/2-x,1/2-y,1/2-z * 1/2+x,1/2+y,1/2-z * 1/2+x,1/2-y,1/2+z * 1/2-x,1/2+y,1/2+z * 1/2-z,1/2-x,1/2-y * 1/2-z,1/2+x,1/2+y * 1/2+z,1/2+x,1/2-y * 1/2+z,1/2-x,1/2+y * 1/2-y,1/2-z,1/2-x * 1/2+y,1/2-z,1/2+x * 1/2-y,1/2+z,1/2+x * 1/2+y,1/2+z,1/2-x * -y,-x,z * y,x,z * -y,x,-z * y,-x,-z * -x,-z,y * x,-z,-y * x,z,y * -x,z,-y * -z,-y,x * -z,y,-x * z,-y,-x * z,y,x * end'), 225: ((48, 3, 'FM-3M', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,-z * -y,-x,-z * y,-x,z * -y,x,z * x,z,-y * -x,z,y * -x,-z,-y * x,-z,y * z,y,-x * z,-y,x * -z,y,x * -z,-y,-x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * -y,-x,z * y,x,z * -y,x,-z * y,-x,-z * -x,-z,y * x,-z,-y * x,z,y * -x,z,-y * -z,-y,x * -z,y,-x * z,-y,-x * z,y,x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 226: ((48, 3, 'FM-3C', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * 1/2+y,1/2+x,1/2-z * 1/2-y,1/2-x,1/2-z * 1/2+y,1/2-x,1/2+z * 1/2-y,1/2+x,1/2+z * 1/2+x,1/2+z,1/2-y * 1/2-x,1/2+z,1/2+y * 1/2-x,1/2-z,1/2-y * 1/2+x,1/2-z,1/2+y * 1/2+z,1/2+y,1/2-x * 1/2+z,1/2-y,1/2+x * 1/2-z,1/2+y,1/2+x * 1/2-z,1/2-y,1/2-x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * 1/2-y,1/2-x,1/2+z * 1/2+y,1/2+x,1/2+z * 1/2-y,1/2+x,1/2-z * 1/2+y,1/2-x,1/2-z * 1/2-x,1/2-z,1/2+y * 1/2+x,1/2-z,1/2-y * 1/2+x,1/2+z,1/2+y * 1/2-x,1/2+z,1/2-y * 1/2-z,1/2-y,1/2+x * 1/2-z,1/2+y,1/2-x * 1/2+z,1/2-y,1/2-x * 1/2+z,1/2+y,1/2+x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 227: ((48, 3, 'FD-3M', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,1/2-y,1/2+z * 1/2-x,1/2+y,-z * 1/2+x,-y,1/2-z * z,x,y * 1/2+z,-x,1/2-y * -z,1/2-x,1/2+y * 1/2-z,1/2+x,-y * y,z,x * 1/2-y,1/2+z,-x * 1/2+y,-z,1/2-x * -y,1/2-z,1/2+x * 3/4+y,1/4+x,3/4-z * 1/4-y,1/4-x,1/4-z * 1/4+y,3/4-x,3/4+z * 3/4-y,3/4+x,1/4+z * 3/4+x,1/4+z,3/4-y * 3/4-x,3/4+z,1/4+y * 1/4-x,1/4-z,1/4-y * 1/4+x,3/4-z,3/4+y * 3/4+z,1/4+y,3/4-x * 1/4+z,3/4-y,3/4+x * 3/4-z,3/4+y,1/4+x * 1/4-z,1/4-y,1/4-x * 1/4-x,1/4-y,1/4-z * 1/4+x,3/4+y,3/4-z * 3/4+x,3/4-y,1/4+z * 3/4-x,1/4+y,3/4+z * 1/4-z,1/4-x,1/4-y * 3/4-z,1/4+x,3/4+y * 1/4+z,3/4+x,3/4-y * 3/4+z,3/4-x,1/4+y * 1/4-y,1/4-z,1/4-x * 3/4+y,3/4-z,1/4+x * 3/4-y,1/4+z,3/4+x * 1/4+y,3/4+z,3/4-x * 1/2-y,-x,1/2+z * y,x,z * -y,1/2+x,1/2-z * 1/2+y,1/2-x,-z * 1/2-x,-z,1/2+y * 1/2+x,1/2-z,-y * x,z,y * -x,1/2+z,1/2-y * 1/2-z,-y,1/2+x * -z,1/2+y,1/2-x * 1/2+z,1/2-y,-x * z,y,x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 228: ((48, 3, 'FD-3C', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,1/2-y,1/2+z * 1/2-x,1/2+y,-z * 1/2+x,-y,1/2-z * z,x,y * 1/2+z,-x,1/2-y * -z,1/2-x,1/2+y * 1/2-z,1/2+x,-y * y,z,x * 1/2-y,1/2+z,-x * 1/2+y,-z,1/2-x * -y,1/2-z,1/2+x * 3/4+y,1/4+x,3/4-z * 1/4-y,1/4-x,1/4-z * 1/4+y,3/4-x,3/4+z * 3/4-y,3/4+x,1/4+z * 3/4+x,1/4+z,3/4-y * 3/4-x,3/4+z,1/4+y * 1/4-x,1/4-z,1/4-y * 1/4+x,3/4-z,3/4+y * 3/4+z,1/4+y,3/4-x * 1/4+z,3/4-y,3/4+x * 3/4-z,3/4+y,1/4+x * 1/4-z,1/4-y,1/4-x * 3/4-x,3/4-y,3/4-z * 3/4+x,1/4+y,1/4-z * 1/4+x,1/4-y,3/4+z * 1/4-x,3/4+y,1/4+z * 3/4-z,3/4-x,3/4-y * 1/4-z,3/4+x,1/4+y * 3/4+z,1/4+x,1/4-y * 1/4+z,1/4-x,3/4+y * 3/4-y,3/4-z,3/4-x * 1/4+y,1/4-z,3/4+x * 1/4-y,3/4+z,1/4+x * 3/4+y,1/4+z,1/4-x * -y,1/2-x,z * 1/2+y,1/2+x,1/2+z * 1/2-y,x,-z * y,-x,1/2-z * -x,1/2-z,y * x,-z,1/2-y * 1/2+x,1/2+z,1/2+y * 1/2-x,z,-y * -z,1/2-y,x * 1/2-z,y,-x * z,-y,1/2-x * 1/2+z,1/2+y,1/2+x * 0,1/2,1/2 * 1/2,0,1/2 * 1/2,1/2,0 * end'), 229: ((48, 1, 'IM-3M', 'PGM3BARM', 'CUBIC'),'x,y,z * -x,-y,z * -x,y,-z * x,-y,-z * z,x,y * z,-x,-y * -z,-x,y * -z,x,-y * y,z,x * -y,z,-x * y,-z,-x * -y,-z,x * y,x,-z * -y,-x,-z * y,-x,z * -y,x,z * x,z,-y * -x,z,y * -x,-z,-y * x,-z,y * z,y,-x * z,-y,x * -z,y,x * -z,-y,-x * -x,-y,-z * x,y,-z * x,-y,z * -x,y,z * -z,-x,-y * -z,x,y * z,x,-y * z,-x,y * -y,-z,-x * y,-z,x * -y,z,x * y,z,-x * -y,-x,z * y,x,z * -y,x,-z * y,-x,-z * -x,-z,y * x,-z,-y * x,z,y * -x,z,-y * -z,-y,x * -z,y,-x * z,-y,-x * z,y,x * 1/2,1/2,1/2 * end'), 230: ((48, 1, 'IA-3D', 'PGM3BARM', 'CUBIC'),'x,y,z * 1/2-x,-y,1/2+z * -x,1/2+y,1/2-z * 1/2+x,1/2-y,-z * z,x,y * 1/2+z,1/2-x,-y * 1/2-z,-x,1/2+y * -z,1/2+x,1/2-y * y,z,x * -y,1/2+z,1/2-x * 1/2+y,1/2-z,-x * 1/2-y,-z,1/2+x * 3/4+y,1/4+x,1/4-z * 3/4-y,3/4-x,3/4-z * 1/4+y,1/4-x,3/4+z * 1/4-y,3/4+x,1/4+z * 3/4+x,1/4+z,1/4-y * 1/4-x,3/4+z,1/4+y * 3/4-x,3/4-z,3/4-y * 1/4+x,1/4-z,3/4+y * 3/4+z,1/4+y,1/4-x * 1/4+z,1/4-y,3/4+x * 1/4-z,3/4+y,1/4+x * 3/4-z,3/4-y,3/4-x * -x,-y,-z * 1/2+x,y,1/2-z * x,1/2-y,1/2+z * 1/2-x,1/2+y,z * -z,-x,-y * 1/2-z,1/2+x,y * 1/2+z,x,1/2-y * z,1/2-x,1/2+y * -y,-z,-x * y,1/2-z,1/2+x * 1/2-y,1/2+z,x * 1/2+y,z,1/2-x * 1/4-y,3/4-x,3/4+z * 1/4+y,1/4+x,1/4+z * 3/4-y,3/4+x,1/4-z * 3/4+y,1/4-x,3/4-z * 1/4-x,3/4-z,3/4+y * 3/4+x,1/4-z,3/4-y * 1/4+x,1/4+z,1/4+y * 3/4-x,3/4+z,1/4-y * 1/4-z,3/4-y,3/4+x * 3/4-z,3/4+y,1/4-x * 3/4+z,1/4-y,3/4-x * 1/4+z,1/4+y,1/4+x * 1/2,1/2,1/2 * end')} def opReadCl(filename): f = open(filename) r = f.read() f.close() return r def opWriteCl(filename, _str): f = open(filename,"w") f.write(_str) f.close() def guessHA(wavelength): "Trying to find the closest HA edge in HAd from wavelength" diffs = map(lambda x: abs(x - wavelength), HAd.keys()) return HAd[HAd.keys()[diffs.index(min(diffs))]] def get_crossec(P): idx = -1 opWriteCl("crossec.inp", crossec_script % vars(P)) try: os.system("crossec<crossec.inp>crossec.out") txt = opReadCl("crossec.out") idx = txt.index(" $$\n<B>") except: pass if idx != -1: try: fp, fpp = map(float, txt[idx-23:idx-2].split()) return fp, fpp except: pass else: return 0., 0. class Dumy: pass class DoMode: def __init__(self, P): self.mode = P.mode self.dir_mode = self.mode.lower()+"/" P.dir_mode = self.dir_mode P.spg_name = (xupy.SPGlib[int(P.spgn_in)][0]).lower() if P.res_high == 0.0: try: # It will fail herre in case Numeric is not installed # Or for old version of XDS from xdsHKLinfos import get_info infos = get_info(P.file_name_in) P.res_high = infos["res_high"] P.res_low = infos["res_low"] except: pass if P.wavelength: self.wavelength = P.wavelength else: self.wavelength = 1.5418 if P.ha_name: self.HA = P.ha_name P.ha_name = self.HA P.fp, P.fpp = get_crossec(P) elif P.wavelength: self.HA = guessHA(self.wavelength) P.ha_name = self.HA[0] P.fp, P.fpp = get_crossec(P) else: P.ha_name = "Unknown" P.fp, P.fpp = 0., 0. self.HA = "Unknown" if self.mode == "CNS": self.name_ext = ".cv" P.mode_out = self.mode elif self.mode == "SHELX": self.name_ext = "_F4.hkl" #P.free_out = "GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05\n" P.mode_out = self.mode elif self.mode == "SOLVE": self.name_ext = ".hkli" P.mode_out = "NONE" P.merge_out == "FALSE" P.friedel_out = "TRUE" elif self.mode == "EPMR": self.name_ext = ".hkl" P.mode_out = "FALL" P.merge_out == "TRUE" P.friedel_out = "TRUE" elif self.mode == "AMORE": P.free_out = "" P.free_lbl = "" P.free_code = "" self.name_ext = ".HKL" P.mode_out = "CCP4" P.merge_out == "TRUE" P.friedel_out = "TRUE" elif self.mode == "REPLACE": P.free_out = "" P.free_lbl = "" P.free_code = "" self.name_ext = ".hkl" P.mode_out = "CCP4" P.merge_out == "TRUE" P.friedel_out = "TRUE" elif self.mode == "CRANK": self.name_ext = ".mtz" P.mode_out = "CCP4_I" P.merge_out == "TRUE" P.friedel_out = "FALSE" elif self.mode == "CCP4": self.name_ext = ".mtz" P.mode_out = self.mode if P.friedel_out == "FALSE": P.cinp_ano = "DANO%(lbl)s SIGDANO%(lbl)s ISYM%(lbl)s" \ % vars(P) P.cinp_ano2 = "D Q Y" else: P.cinp_ano = P.cinp_ano2 = "" P.merge_out = "TRUE" elif self.mode == "CCP4F": self.name_ext = ".mtz" P.mode_out = "CCP4" if P.friedel_out == "FALSE": P.cinp_ano = "DANO%(lbl)s SIGDANO%(lbl)s ISYM%(lbl)s" \ % vars(P) P.cad_ano = "E1=DANO%(lbl)s E2=SIGDANO%(lbl)s E3=ISYM%(lbl)s" \ % vars(P) P.cinp_ano2 = "D Q Y" else: P.cinp_ano = P.cad_ano = P.cinp_ano2 = "" P.merge_out = "TRUE" P.file_name_out = "F2MTZ.HKL.TMP2" opWriteCl("XDSCONV2.INP", xdsconv_script % vars(P) + P.free_out) opWriteCl("f2mtz.inp2", f2mtz_script % vars(P)) opWriteCl("run_simple_scale.sh", scala_script) P.mode_out = "CCP4_F" if P.friedel_out == "FALSE": P.cinp_ano = "F(+)%(lbl)s SIGF(+)%(lbl)s F(-)%(lbl)s SIGF(-)%(lbl)s" \ % vars(P) P.cinp_ano2 = "G L G L" else: P.cinp_ano = P.cinp_ano2 = "" P.merge_out = "TRUE" # LABOUT H K L FP SIGFP F(+) SIGF(+) F(-) SIGF(-) FreeRflag # CTYPOUT H H H F Q G L G L X elif self.mode == "PHASER": self.name_ext = ".mtz" P.mode_out = "CCP4_F" if P.friedel_out == "FALSE": P.cinp_ano = "F(+)%(lbl)s SIGF(+)%(lbl)s F(-)%(lbl)s SIGF(-)%(lbl)s" \ % vars(P) P.cinp_ano2 = "G L G L" else: P.cinp_ano = P.cinp_ano2 = "" P.merge_out = "TRUE" elif self.mode == "SHARP": self.name_ext = ".mtz" P.mode_out = "CCP4" if P.friedel_out != "FALSE": print "Error, no Anomalous information found from XDS." sys.exit() P.merge_out = "TRUE" P.ident = ".".join(P.file_name_in.split(".")[:-1]) #P.file_name_out = P.ident+"_"+P.ha_name+self.name_ext #P.file_name_out = P.ident + self.name_ext P.file_name_out = P.ID + self.name_ext if self.mode == "CCP4" or self.mode == "CCP4F" or \ self.mode == "CRANK" or self.mode == "SHARP" or self.mode == "PHASER" : self.last_name = P.file_name_out P.file_name_out = "F2MTZ.HKL.TMP" P.last_name = self.last_name if self.mode != "SOLVE": opWriteCl("XDSCONV.INP", xdsconv_script % vars(P) + P.free_out) def run(self): ls = os.listdir(".") if not self.dir_mode[:-1] in ls: os.makedirs(self.dir_mode) if self.mode not in ("SOLVE",): toexec = os.path.join(xupy.XDSHOME,"xdsconv") xupy.exec_prog(toexec, stdout="xdsconv.log") if self.mode == "CCP4F": os.system("mv XDSCONV2.INP XDSCONV.INP") os.system("mv f2mtz.inp2 %s" % self.dir_mode) toexec = os.path.join(xupy.XDSHOME,"xdsconv") xupy.exec_prog(toexec, stdout="xdsconv_dano.log") def post_run(self, P): if self.mode == "SHELX": # run xprepx P.cns_sg = cns_sg_lib[int(XC.spgn_in)] opWriteCl("%s/xprep.inp" % P.dir_mode, xprep_script % vars(P)) opWriteCl("%s/shelxc.inp" % P.dir_mode, shelxc_script % vars(P)) opWriteCl("%s/run_shelx.sh" % P.dir_mode, shelxall_script % vars(P)) os.system("chmod a+x %s/run_shelx.sh" % P.dir_mode) opWriteCl("%s/run_sitcom.sh" % P.dir_mode, sitcom_script % vars(P)) os.system("chmod a+x %s/run_sitcom.sh" % P.dir_mode) #os.system("cd %s;xprep<xprep.inp>xprep.log" % P.dir_mode) os.system("cd %s;shelxc XX1 <shelxc.inp>shelxc.log" % P.dir_mode) elif self.mode == "CNS": #file_name_out = P.dirmode+dirname+".cv" P.cns_sg = cns_sg_lib[int(XC.spgn_in)] P.cns_cell = 6*"%.2f, " % tuple(P.cell) opWriteCl("%s/cns_xtal.par" % P.dir_mode, cns_par % vars(P)) elif self.mode == "CCP4": opWriteCl("%s/f2mtz.inp" % P.dir_mode, f2mtz_script % vars(P)) opWriteCl("%s/cad.inp" % P.dir_mode, cad_script % vars(P)) os.system("cd %s;f2mtz hklout TMP.MTZ<f2mtz.inp >f2mtz.log" % P.dir_mode) os.system("cd %s;cad hklin1 TMP.MTZ hklout %s <cad.inp >cad.log" % (P.dir_mode, self.last_name)) os.system("rm -f F2MTZ.INP ccp4/TMP.MTZ ccp4/F2MTZ.HKL.TMP") elif self.mode == "CCP4F": opWriteCl("%s/f2mtz.inp" % P.dir_mode, f2mtz_script % vars(P)) opWriteCl("%s/cad.inp" % P.dir_mode, cad2_script % vars(P)) os.system("cd %s;f2mtz hklout TMP.MTZ<f2mtz.inp >f2mtz.log" % P.dir_mode) os.system("cd %s;f2mtz hklout TMP2.MTZ<f2mtz.inp2 >f2mtz2.log" % P.dir_mode) os.system("cd %s;cad hklin1 TMP.MTZ hklin2 TMP2.MTZ hklout %s <cad.inp >cad.log" % (P.dir_mode, self.last_name)) os.system("rm -f F2MTZ.INP ccp4f/TMP*.MTZ ccp4f/F2MTZ.HKL.TMP*") elif self.mode == "CRANK": #opWriteCl("%s/f2mtz.inp" % P.dir_mode, f2mtz_script % vars(P)) opWriteCl("cad.inp", cad_crank_script % vars(P)) os.system("f2mtz HKLOUT temp.mtz< F2MTZ.INP>f2mtz.log") os.system("bash cad.inp >cad.log") os.system("cd %s; mv ../output_file_name.mtz %s" % \ (P.dir_mode, self.last_name)) os.system("rm -f F2MTZ.INP temp.mtz crank/F2MTZ.HKL.TMP") elif self.mode == "PHASER": opWriteCl("%s/f2mtz.inp" % P.dir_mode, f2mtz_phaser_script % vars(P)) opWriteCl("%s/cad.inp" % P.dir_mode, cad_script % vars(P)) os.system("cd %s;f2mtz hklout TMP.MTZ<f2mtz.inp >f2mtz.log" % P.dir_mode) os.system("cd %s;cad hklin1 TMP.MTZ hklout %s <cad.inp >cad.log" % (P.dir_mode, self.last_name)) os.system("rm -f F2MTZ.INP phaser/TMP.MTZ phaser/F2MTZ.HKL.TMP") opWriteCl("%s/run_phaser.sh" % P.dir_mode, phaser_script % vars(P)) os.chmod("%s/run_phaser.sh" % P.dir_mode, 0755) elif self.mode == "SHARP": opWriteCl("%s/f2mtz.inp" % P.dir_mode, f2mtz_sharp_script % vars(P)) opWriteCl("%s/cad.inp" % P.dir_mode, cad_script) os.system("cd %s;f2mtz hklout TMP.MTZ<f2mtz.inp >f2mtz.log" % P.dir_mode) os.system("cd %s;cad hklin1 TMP.MTZ hklout %s <cad.inp >cad.log" % (P.dir_mode, self.last_name)) os.system("rm -f F2MTZ.INP ccp4/TMP.MTZ ccp4/F2MTZ.HKL.TMP") #elif self.mode == "CRANK": #opWriteCl("%s/mtzutils.inp" % P.dir_mode, mtzutils_script) #os.system("sed -e 's/J *Q *J *Q$/K M K M/' F2MTZ.INP> F2MTZS.INP") #os.system("f2mtz hklout %s/TMP.MTZ < F2MTZS.INP > %s/f2mtz.log" % \ #(P.dir_mode, P.dir_mode)) #os.system("cd %s;mtzutils hklin TMP.MTZ hklout %s <mtzutils.inp >mtzutils.log" #% (P.dir_mode, "crank.mtz")) #os.system("rm -f F2MTZ.INP crank/TMP.MTZ ccp4/F2MTZ.HKL.TMP") elif self.mode == "SOLVE": os.system("grep -v \! %s > solve/%s" % \ (P.file_name_in, P.file_name_out)) P.spg_name = (xupy.SPGlib[int(P.spgn_in)][0]).lower() opWriteCl("%s/run_solve.sh" % P.dir_mode, solve_script % vars(P)) os.chmod("%s/run_solve.sh" % P.dir_mode, 0755) elif self.mode == "EPMR": opWriteCl("%s/cell" % P.dir_mode, "%(cell_str)s %(spgn_in)s\n" % vars(P)) elif self.mode == "REPLACE": t = """awk '{gsub(",","");print}' """ t += """%(dir_mode)s/%(file_name_out)s >> %(dir_mode)s/data.hkl""" os.system(t % vars(P)) opWriteCl("%s/run_glrf_self.sh" % P.dir_mode, replace_script % vars(P)) os.system("chmod a+x %(dir_mode)s/run_glrf_self.sh" % vars(P)) os.system("rm -f %(dir_mode)s/%(file_name_out)s" % vars(P)) elif self.mode == "AMORE": os.system('echo "CELL %(cell_str)s" > format.dat'%vars(P)) os.system('echo "FORMAT (3I6,2E10.3)" >> format.dat') os.system("cat format.dat > %(dir_mode)s/hkl.d" % vars(P)) t = """awk '{gsub(",","");print}' """ t += """%(dir_mode)s/%(file_name_out)s >> %(dir_mode)s/hkl.d""" os.system(t % vars(P)) os.system("rm -f format.dat %(dir_mode)s/%(file_name_out)s" % vars(P)) afmt = " * xds *\n%(cell_str)s\n%(symop)s 0\n95. 0.\n15 3.5\n1 1\n" P.symop = amore_symops[int(P.spgn_in)][1] opWriteCl("%s/data.d" % P.dir_mode, afmt % vars(P)) if __name__ == '__main__': import xupy # Default options __format_out = [] #"CCP4" __atom_name = "" __num_sites = 0 __xds_input = "" __free_refl_input = "" __free_refl_type = "" __force_anom = False __force_norm = False __force_merge = False __force_unmerge = False __force_free = False __force_no_free = False __label = "" argp_fmt = "<<< %-24s %s" progname = sys.argv[0].split("/")[-1] if (len(sys.argv) == 1) or ("-h" in sys.argv) \ or ("--help" in sys.argv) or ("-help" in sys.argv): print usage % (progname, "|".join(options)) sys.exit(1) args = sys.argv[1:] print "\n<== OPTIONS:" for arg in args: nonnum = [i for i in arg if i not in "1234567890"] if nonnum == []: try: n = int(arg) __num_sites = n print argp_fmt % ("nSites:", n) except: pass elif arg.count("-l="): __label = "_"+arg[3:] elif arg.count("-l"): __label = "_"+str(args[args.index("-l") + 1]) elif arg == "-f": __force_free = True elif arg == "-nf": __force_no_free = True elif arg == "-a": __force_anom = True elif arg == "-n": __force_norm = True elif arg == "-u": __force_unmerge = True elif arg == "-m": __force_merge = True # Geting output format elif arg.upper() in options: __format_out.append(arg.upper()) print argp_fmt % ("Export mode:", arg.upper()) # Geting Atom type elif arg.title() in atom_names: print argp_fmt % ("atomType:", arg) __atom_name = arg.title() # Identifying file type elif os.path.isfile(arg): try: f = open(arg) s = f.read(65) f.close() ss = [] try: ss = s.split() ss = map(float, ss) except: pass if "!FORMAT=XDS_ASCII" in s: __xds_input = arg elif (("NREFlection=" in s) and ("ANOMalous=" in s)): __free_refl_input = arg __free_refl_type = "CNS" elif (len(ss)>= 12) and (abs(ss[5]) == 1): __free_refl_input = arg __free_refl_type = "SHELX" elif (s[:3] == "MTZ") and (arg[-4:].lower() == ".mtz"): __free_refl_input = arg __free_refl_type = "CCP4" else: print "\nWarning: Can't define the file type", print "for argument '%s'\n" % arg except: pass # If input file for free reflection set is CCP4 it needs to be converted # to shelx format for input in xdsconv. if __free_refl_input: print argp_fmt % ("free_hkl_to_inherit:", __free_refl_input), print "[%s format]." % ( __free_refl_type) if __free_refl_type == "CCP4": print " --> Converting CCP4 free reflections to SHELX format." script = open("mtz2shelx_free.sh", "w") script.write(mtz2various_script) script.close() os.system("sh mtz2shelx_free.sh %s" % __free_refl_input) __free_refl_input = "free_refl_shelx_F3.hkl" __free_refl_type = "SHELX" # if __force_anom and __force_norm: print "Warning: Umbiguous options specification (-a and -n), keeping -a." __force_norm == False # test input file type of inherited reflections if __free_refl_input: #__force_free = False xdsconv_script += "INHERIT_TEST_REFLECTIONS_FROM_FILE=%s %s\n" % \ (__free_refl_input, __free_refl_type) #### Default values XC = Dumy() XC.file_type = "XDS_ASCII" XC.friedel_out = "" XC.free_out = "GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05\n" XC.free_lbl = "FreeR_flag" XC.free_code = "X" XC.merge_out = "" XC.cell = "" XC.lbl = "" XC.ha_name = __atom_name XC.num_sites = __num_sites if not __format_out: __format_out = ["CCP4"] XC.modes = __format_out #XC.wavelength = 1.5418111 if __force_anom: XC.friedel_out = "FALSE" if __force_norm: XC.friedel_out = "TRUE" if __force_merge: XC.merge_out = "TRUE" if __force_unmerge: XC.merge_out = "FALSE" if __force_free: XC.free_out = "GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05\n" XC.free_lbl = "FreeR_flag" XC.free_code = "X" if __force_no_free: XC.free_out = "" XC.free_lbl = "" XC.free_code = "" if __label: XC.lbl = __label XC.dirname = os.path.split(os.getcwd())[1] XC.file_name_in = sys.argv[1] sys.argv.remove(XC.file_name_in) H = xupy.read_xdsascii_head(XC.file_name_in) XC.spgn_in = H["sym"] XC.cell = map(float, H["cell"].split()) XC.cell_str = 6*"%.2f " % tuple(XC.cell) XC.friedel_in = H["friedels_law"] XC.merge_in = H["merge"] if H["template_name"]: XC.ID = H["template_name"] while XC.ID[-1] == "_": XC.ID = XC.ID[:-1] else: XC.ID = "XSCALEa" XC.res_high = H["include_resolution"][1] XC.res_low = H["include_resolution"][0] if not H["wavelength"]: # Try to catch the wavelength from if H["inputfile_name"] \ and os.path.exists(H["inputfile_name"]) \ and H["inputfile_type"] == "XDS_ASCII": _h = xupy.read_xdsascii_head(H["inputfile_name"]) if _h["wavelength"] : XC.wavelength = _h["wavelength"] else: XC.wavelength = H["wavelength"] if H["friedels_law"] == "TRUE" and XC.friedel_out == "FALSE": print "\n>>> WARNING! The input file does not contain Friedel's mate." if H["merge"] == "TRUE" and XC.merge_out == "FALSE": print "\n>>> WARNING! The input file does not unmerged reflections." if not XC.friedel_out: XC.friedel_out = H["friedels_law"] if not XC.merge_out: XC.merge_out = H["merge"] # Depending on the chosen mode, predefine suffix_name, merge_out, friedel_out... print fmt_inp % vars(XC) #----------------------------- modes = XC.modes[:] for mode in modes: XC.mode = mode E = DoMode(XC) print fmt_outp % vars(XC) if XC.friedel_in == "FALSE": print fmt_outp_ha % vars(XC) E.run() E.post_run(XC)
jsburg/xdsme
XDS/xdsconv.py
Python
bsd-3-clause
86,399
[ "CRYSTAL" ]
d88d54cc16754b5302343c4c0674ba19b54a6131e75bf3d17052a68f1b881f1c
from tendrl.ceph_integration.manager.request_factory import RequestFactory from tendrl.ceph_integration.manager.user_request import OsdMapModifyingRequest from tendrl.ceph_integration.manager.user_request import PgCreatingRequest from tendrl.ceph_integration.manager.user_request import PoolCreatingRequest from tendrl.ceph_integration.types import Config from tendrl.ceph_integration.types import OsdMap from tendrl.commons.event import Event from tendrl.commons.message import Message # Valid values for the 'var' argument to 'ceph osd pool set' POOL_PROPERTIES = ["size", "min_size", "crash_replay_interval", "pg_num", "pgp_num", "crush_ruleset", "hashpspool"] # In Ceph versions before mon_osd_max_split_count, assume it is set to this LEGACY_MON_OSD_MAX_SPLIT_COUNT = "32" class PoolRequestFactory(RequestFactory): def _resolve_pool(self, pool_id): osd_map = NS.state_sync_thread.get_sync_object(OsdMap) return osd_map.pools_by_id[pool_id] def _pool_attribute_commands(self, pool_name, attributes): commands = [] for var in POOL_PROPERTIES: if var in attributes: val = attributes[var] # Special case for hashpspool, accepts 'true' from firefly # onwards but requires 0 or 1 for dumpling, so just use the # old style. if isinstance(val, bool): val = 1 if val else 0 commands.append(('osd pool set', { 'pool': pool_name, 'var': var, 'val': val })) # Quota setting ('osd pool set-quota') is separate to the main 'set' # operation for attr_name, set_name in [ ('quota_max_bytes', 'max_bytes'), ('quota_max_objects', 'max_objects') ]: if attr_name in attributes: commands.append(('osd pool set-quota', { 'pool': pool_name, 'field': set_name, # set-quota wants a string in case it has units in 'val': attributes[attr_name].__str__() })) # Renames come last (the preceding commands reference the pool by its # old name) if 'name' in attributes: commands.append(('osd pool rename', { "srcpool": pool_name, "destpool": attributes['name'] })) return commands def delete(self, pool_id): # Resolve pool ID to name pool_name = self._resolve_pool(pool_id)['pool_name'] # TODO(Rohan) perhaps the REST API should have something in the body to # make it slightly harder to accidentally delete a pool, to respect # the severity of this operation since we're hiding the # --yes-i-really-really-want-to # stuff here # TODO(Rohan) handle errors in a way that caller can show to a user, # e.g. # if the name is wrong we should be sending a structured errors dict # that they can use to associate the complaint with the 'name' field. commands = [ ('osd pool delete', {'pool': pool_name, 'pool2': pool_name, 'sure': '--yes-i-really-really-mean-it' } ) ] return OsdMapModifyingRequest( "Deleting pool '{name}'".format(name=pool_name), commands ) def _pool_min_size(self, req_size, req_min_size): '''Find an appropriate "min_size" parameter for a pool create operation req_size is requested pool size; 0 means "use osd_pool_default_size" req_min_size is requested min size Used in both create and update ''' ceph_config = NS.state_sync_thread.get_sync_object_data(Config) size = req_size or int(ceph_config.get('osd_pool_default_size'), 0) min_size = req_min_size or \ int(ceph_config.get('osd_pool_default_min_size'), 0) if min_size: ret_min_size = min(min_size, size) else: ret_min_size = size - size / 2 Event( Message( priority="info", publisher=NS.publisher_id, payload={"message": '_pool_min_size: size %d, min_size %d, ' 'ret %d' % (size, min_size, ret_min_size) } ) ) return ret_min_size def update(self, pool_id, attributes): osd_map = NS.state_sync_thread.get_sync_object(OsdMap) pool = self._resolve_pool(pool_id) pool_name = pool['pool_name'] # Recalculate/clamp min_size if it or size is updated if 'size' in attributes or 'min_size' in attributes: size = attributes.get('size', pool['size']) min_size = attributes.get('min_size', pool['min_size']) attributes['min_size'] = self._pool_min_size(size, min_size) if 'pg_num' in attributes: # Special case when setting pg_num: have to do some extra work # to wait for PG creation between setting these two fields. final_pg_count = attributes['pg_num'] if 'pgp_num' in attributes: pgp_num = attributes['pgp_num'] del attributes['pgp_num'] else: pgp_num = attributes['pg_num'] del attributes['pg_num'] pre_create_commands = self._pool_attribute_commands( pool_name, attributes) # This setting is new in Ceph Firefly, where it defaults to 32. # For older revisions, we simply pretend that the setting exists # with a default setting. mon_osd_max_split_count = int( NS.state_sync_thread.get_sync_object_data(Config).get( 'mon_osd_max_split_count', LEGACY_MON_OSD_MAX_SPLIT_COUNT ) ) initial_pg_count = pool['pg_num'] n_osds = min(initial_pg_count, len(osd_map.osds_by_id)) # The rules about creating PGs: # where N_osds = min(old_pg_count, osd_count) # the number of new PGs divided by N_osds may not be greater than # mon_osd_max_split_count block_size = mon_osd_max_split_count * n_osds return PgCreatingRequest( "Growing pool '{name}' to {size} PGs".format( name=pool_name, size=final_pg_count), pre_create_commands, pool_id, pool_name, pgp_num, initial_pg_count, final_pg_count, block_size) else: commands = self._pool_attribute_commands(pool_name, attributes) if not commands: raise NotImplementedError(attributes) # TODO(Rohan) provide some machine-readable indication of which # objects are affected by a particular request. # Perhaps subclass Request for each type of object, and have # that subclass provide both the patches->commands mapping and # the human readable and machine readable descriptions of it? # Objects may be decorated with 'id' from use in a bulk PATCH, # but we don't want anything from this point onwards to see that. if 'id' in attributes: del attributes['id'] return OsdMapModifyingRequest( "Modifying pool '{name}' ({attrs})".format( name=pool_name, attrs=", ".join( "%s=%s" % (k, v) for k, v in attributes.items()) ), commands ) def create(self, attributes): if 'type' in attributes and attributes['type'] == "erasure": commands = [( 'osd pool create', { 'pool': attributes['name'], 'pg_num': attributes['pg_num'], 'pool_type': attributes['type'], 'erasure_code_profile': attributes['erasure_code_profile'] } )] else: commands = [( 'osd pool create', { 'pool': attributes['name'], 'pg_num': attributes['pg_num'], } )] # Calculate appropriate min_size, including default if none given req_size = attributes.get('size', 0) req_min_size = attributes.get('min_size', 0) attributes['min_size'] = self._pool_min_size(req_size, req_min_size) # Which attributes must we set after the initial create? post_create_attrs = attributes.copy() del post_create_attrs['name'] del post_create_attrs['pg_num'] if 'pgp_num' in post_create_attrs: del post_create_attrs['pgp_num'] if 'pool_type' in post_create_attrs: del post_create_attrs['pool_type'] if 'erasure_code_profile' in post_create_attrs: del post_create_attrs['erasure_code_profile'] commands.extend(self._pool_attribute_commands( attributes['name'], post_create_attrs )) Event( Message( priority="debug", publisher=NS.publisher_id, payload={"message": "Post-create attributes: %s" % post_create_attrs } ) ) Event( Message( priority="debug", publisher=NS.publisher_id, payload={"message": "Commands: %s" % commands} ) ) return PoolCreatingRequest( "Creating pool '{name}'".format(name=attributes['name']), attributes['name'], commands)
r0h4n/ceph-integration
tendrl/ceph_integration/manager/pool_request_factory.py
Python
lgpl-2.1
9,966
[ "Firefly" ]
2fac6bc93644a1b78b4c6e5cbebc0c5554f37b31849c31fa8e5cd219f4ec78db
#------------------------------------------------------------------------------- # rbtlib: resource.py # # Get a named tuple response from a URL. #------------------------------------------------------------------------------- # The MIT License (MIT) # Copyright (c) 2016 Brian Minard # # Permission is hereby granted, free of charge, to any person obtaining a # copy of this software and associated documentation files (the "Software"), # to deal in the Software without restriction, including without limitation # the rights to use, copy, modify, merge, publish, distribute, sublicense, # and/or sell copies of the Software, and to permit persons to whom the # Software is furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included # in all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS # OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL # THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING # FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS # IN THE SOFTWARE. #------------------------------------------------------------------------------- import collections from functools import wraps import stat from types import DictionaryType, DictType, ListType class BadContentType(Exception): """HTTP response contains unexpected content type.""" content_type = { 'accounts': 'application/vnd.reviewboard.org.hosting-service+json', 'api_tokens': 'application/json', 'archived_review_requests': 'application/json', 'blocks': 'application/json', 'branches': 'application/vnd.reviewboard.org.repository+json', 'commits': 'application/vnd.reviewboard.org.repository+json', 'changes': 'application/vnd.reviewboard.org.review-request-changes+json', 'create': 'application/vnd.reviewboard.org.review-request+json', 'default_reviewers': 'application/vnd.reviewboard.org.default-reviewers+json', 'delete': 'application/json', 'depends_on': 'application/json', 'diff_context': 'application/json', 'diff_file_attachments': 'application/json', 'diff_validation': 'application/json', 'diffs': 'application/vnd.reviewboard.org.diffs+json', 'draft': 'application/json', 'extensions': 'application/json', 'file_attachments': 'application/json', 'groups': 'application/vnd.reviewboard.org.review-groups+json', 'hosting_services': 'application/vnd.reviewboard.org.hosting-services+json', 'hosting_service_accounts': 'application/vnd.reviewboard.org.hosting-service-accounts+json', 'info': 'application/vnd.reviewboard.org.server-info+json', 'last_update': 'application/json', 'muted_review_requests': 'application/json', 'remote_repositories': 'application/vnd.reviewboard.org.hosting-service-account+json', 'repository': 'application/vnd.reviewboard.org.repository+json', 'repositories': 'application/vnd.reviewboard.org.repositories+json', 'review_requests': 'application/vnd.reviewboard.org.review-requests+json', 'review_request': 'application/vnd.reviewboard.org.review-request+json', 'reviews': 'application/json', 'root': 'application/vnd.reviewboard.org.root+json', 'screenshots': 'application/json', 'search': 'application/vnd.reviewboard.org.search+json', 'session': 'application/vnd.reviewboard.org.session+json', 'submitter': 'application/json', 'target_groups': 'application/json', 'target_people': 'application/json', 'update': 'application/json', 'users': 'application/vnd.reviewboard.org.users+json', 'validation': 'application/json', 'watched': 'application/json', 'webhooks': 'application/vnd.reviewboard.org.webhooks+json', } class Resource(object): """Generalized resource. Provide uniform getter and setter methods over HTTP to Review Board. To achieve this, the methods are decorated to handle the response at different levels: - sending HTTP commands (e.g, GET and POST) - handling the HTTP response (e.g., content type and status code) - payload conversion to a whole-part hierarchy The whole-part hierarchy is contained a nested named tuple containing the response returned by Review Board. The composite contains a copy of the JSON response from Review Board. This permits clients to access the response using a named tuple or dictionary. Attributes: session: HTTP session. name: Resource name. """ def __init__(self, session, name): super(Resource, self).__init__() self._session = session self._name = name @property def name(self): return self._name def composite(fetch): """Build the whole-part hierarchy from the HTTP response. Args: fetch: a function object defining an HTTP command. Returns: A function object generating a composite from the obtained data. """ @wraps(fetch) def _composite(self, href, query_dict = dict()): """Generate the composite object from the HTTP response. Args: href: A hypertext reference used by the HTTP command. query_dict: A dictionary containing HTTP command parameters. Returns: A composite object containing the whole-part hierarchy. """ response = fetch(self, href, query_dict) assert type(response) is DictType or type(response) is DictionaryType return self.component(self._name, response, { 'json': response }) return _composite def contruct_dict_from_http_response(fetch): """Decorator returning a dictionary containing the HTTP response. Args: fetch: a function object defining an HTTP command. Returns: A dictionary containing the payload returned by the HTTP command. """ @wraps(fetch) def _contruct_dict_from_http_response(self, href, query_dict = dict()): """Construct a dictionary from the HTTP response. Args: href: A hypertext reference used by the HTTP command. query_dict: A dictionary containing HTTP command parameters. Returns: A dictionary defining the response to the HTTP command. """ return fetch(self, href, query_dict).json() return _contruct_dict_from_http_response def validate_http_content_type(fetch): """Decorator validating the response's HTTP content type. Args: fetch: a function object defining an HTTP command. Returns: A function object for checking the HTTP Content-Type. """ @wraps(fetch) def _validate_http_content_type(self, href, query_dict = dict()): """Validate the HTTP content type. Args: href: A hypertext reference used by the HTTP command. query_dict: A dictionary containing HTTP command parameters. Returns: A dictionary defining the response to the HTTP command. Raises: BadContentType: The expected and returned HTTP content type do not match. """ response = fetch(self, href, query_dict) response.raise_for_status() if content_type[self._name] != response.headers['Content-Type']: raise BadContentType(href, response.headers['Content-Type'], content_type[self._name], self._name) return response return _validate_http_content_type @stat.is_valid @composite @contruct_dict_from_http_response @validate_http_content_type def delete(self, href, query_dict = dict()): """Execute HTTP DELETE command using session parameters. Args: href: A hypertext reference used by the HTTP command. query_dict: A dictionary containing HTTP command parameters. Returns: The HTTP response to the HTTP command. """ return self._session.delete(href, data = query_dict) @stat.is_valid @composite @contruct_dict_from_http_response @validate_http_content_type def get(self, href, query_dict = dict()): """Execute HTTP GET command using session parameters. Args: href: A hypertext reference used by the HTTP command. query_dict: A dictionary containing HTTP command parameters. Returns: The HTTP response to the HTTP command. """ return self._session.get(href, params = query_dict) @stat.is_valid @composite @contruct_dict_from_http_response @validate_http_content_type def post(self, href, query_dict = dict()): """Execute HTTP POST command using session parameters. Args: href: A hypertext reference used by the HTTP command. query_dict: A dictionary containing HTTP command parameters. Returns: The HTTP response to the HTTP command. """ return self._session.post(href, data = query_dict) @stat.is_valid @composite @contruct_dict_from_http_response @validate_http_content_type def put(self, href, query_dict = dict()): """Execute HTTP PUT command using session parameters. Args: href: A hypertext reference used by the HTTP command. query_dict: A dictionary containing HTTP command parameters. Returns: The HTTP response to the HTTP command. """ return self._session.put(href, data = query_dict) def list_component(self, name, response): """Construct a list component from the response. Args: name: the key string identifying the list in the response. response: a list. Returns: A dictionary containing list components. """ args = list() for element in response: if type(element) is DictType or type(element) is DictionaryType: args.append(self.component(name, element)) else: args.append(name) return args def replace(self, s): """Replace forbidden characters in named tuple names and field names. Args: s: a string. Returns: A string with the required substitutions. """ return s.replace("-", "_") def component(self, name, response, extra_args = dict()): """Build the whole-part hierarchy making up the composite object. Recursively create a whole-part hierarchy of the response. Extra arguments can be embedded within the whole-part hierarchy at this level only. Args: name: the component name. response: the response defining the component. extra_args: arguments to add to the component. Returns: A named tuple comprising the whole-part hierarchy contained with the response along with any extra arguments. """ field_names = ' '.join(list(extra_args) + list(response)) args = dict(extra_args) for x in response: y = self.replace(x) if type(response[x]) is DictType or type(response[x]) is DictionaryType: args[y] = self.component(x, response[x]) elif type(response[x]) is ListType: args[y] = self.list_component(x, response[x]) else: args[y] = response[x] tuple_descriptor = collections.namedtuple(self.replace(name), self.replace(field_names)) return tuple_descriptor(**args) class ResourceFactory(Resource): """Resource specialization by URL and HTTP command. Permit resource class instances to behave as functions. This separates resource construction from use. This relegates construction to the library and leaves client programs to focus on consuming resource outputs. Attributes: session: HTTP session. name: Resource name. url: Resource URL. method: the HTTP method requred by the resource. """ def __init__(self, session, name, url, method): """Construct the resource. Use the method to define a closure on the URL for the HTTP command. """ super(ResourceFactory, self).__init__(session, name) if 'GET' == method: self._fetch = lambda query_dict = dict(): self.get(url, query_dict) elif 'POST' == method: self._fetch = lambda data_dict = dict(): self.post(url, data_dict) else: assert 0, "unknown HTTP {0} command needed by {1} resource".format(method, name) def __call__(self, query_dict = dict()): """Use the getter to populate the resource. The parent resource includes the entire Review Board response and an instance of the Resource class for any linked resource. The top-level component is an amalgamation of the composite defined by the Review Board response and ResourceFactory objects for each child resource in that response. The Review Board response is not altered. Args: query_dict: the payload provided to the HTTP command. Returns: A named tuple comprising the whole-part hierarchy containing the HTTP command response and ResourceFactory objects for each child resource. """ response = self._fetch(query_dict) args = dict() if None != getattr(response, 'links', None): for links in response.links: link_name = type(links).__name__ if 'self' == link_name: args[link_name] = ResourceFactory(self._session, self.name, links.href, links.method) else: args[link_name] = ResourceFactory(self._session, link_name, links.href, links.method) resource_tuple = self.component(self._name, args) tuple_descriptor = collections.namedtuple(self._name, resource_tuple._fields + response._fields) return tuple_descriptor(*(resource_tuple + response))
bminard/rbtlib
rbtlib/resource/resource.py
Python
mit
14,819
[ "Brian" ]
d125a7e0b721574655adb2948c2964038ab5c5d5dd84dfed0d546074db4e7a87
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals """ This module contains the definition of some objects used in the chemenv package. """ __author__ = "David Waroquiers" __copyright__ = "Copyright 2012, The Materials Project" __credits__ = "Geoffroy Hautier" __version__ = "2.0" __maintainer__ = "David Waroquiers" __email__ = "david.waroquiers@gmail.com" __date__ = "Feb 20, 2016" from pymatgen.analysis.chemenv.utils.coordination_geometry_utils import is_anion_cation_bond STATS_ENV_PAPER = 'David Waroquiers, Xavier Gonze, Gian-Marco Rignanese, Cathrin Welker-Nieuwoudt, Frank Rosowski,\n' \ 'Michael Goebel, Stephan Schenk, Peter Degelmann, Rute Andre, Robert Glaum, and Geoffroy Hautier,\n' \ '"Statistical analysis of coordination environments in oxides",\n' \ 'Chem. Mater., 2017, 29 (19), pp 8346–8360,\n' \ 'DOI: 10.1021/acs.chemmater.7b02766\n' def chemenv_citations(): out = '' out += '\nIf you use the ChemEnv tool for your research, please consider citing the following reference(s) :\n' out += '==================================================================================================\n' out += STATS_ENV_PAPER return out class AdditionalConditions(): NO_ADDITIONAL_CONDITION = 0 ONLY_ANION_CATION_BONDS = 1 NO_ELEMENT_TO_SAME_ELEMENT_BONDS = 2 ONLY_ANION_CATION_BONDS_AND_NO_ELEMENT_TO_SAME_ELEMENT_BONDS = 3 ONLY_ELEMENT_TO_OXYGEN_BONDS = 4 #Short versions NONE = NO_ADDITIONAL_CONDITION NO_AC = NO_ADDITIONAL_CONDITION ONLY_ACB = ONLY_ANION_CATION_BONDS NO_E2SEB = NO_ELEMENT_TO_SAME_ELEMENT_BONDS ONLY_ACB_AND_NO_E2SEB = ONLY_ANION_CATION_BONDS_AND_NO_ELEMENT_TO_SAME_ELEMENT_BONDS ONLY_E2OB = ONLY_ELEMENT_TO_OXYGEN_BONDS #Dictionary mapping of integer for the condition and its "description" CONDITION_DESCRIPTION = {NO_ADDITIONAL_CONDITION: 'No additional condition', ONLY_ANION_CATION_BONDS: 'Only anion-cation bonds', NO_ELEMENT_TO_SAME_ELEMENT_BONDS: 'No element-element bonds (same elements)', ONLY_ANION_CATION_BONDS_AND_NO_ELEMENT_TO_SAME_ELEMENT_BONDS: 'Only anion-cation bonds and' ' no element-element bonds' ' (same elements)', ONLY_ELEMENT_TO_OXYGEN_BONDS: 'Only element-oxygen bonds'} ALL = [NONE, ONLY_ACB, NO_E2SEB, ONLY_ACB_AND_NO_E2SEB, ONLY_E2OB] def check_condition(self, condition, structure, parameters): if condition == self.NONE: return True elif condition == self.ONLY_ACB: valences = parameters['valences'] ii = parameters['site_index'] jj = parameters['neighbor_index'] return is_anion_cation_bond(valences, ii, jj) elif condition == self.NO_E2SEB: ii = parameters['site_index'] jj = parameters['neighbor_index'] elmts_ii = [sp.symbol for sp in structure[ii].species_and_occu] elmts_jj = [sp.symbol for sp in structure[jj].species_and_occu] return len(set(elmts_ii) & set(elmts_jj)) == 0 elif condition == self.ONLY_ACB_AND_NO_E2SEB: valences = parameters['valences'] ii = parameters['site_index'] jj = parameters['neighbor_index'] elmts_ii = [sp.symbol for sp in structure[ii].species_and_occu] elmts_jj = [sp.symbol for sp in structure[jj].species_and_occu] return len(set(elmts_ii) & set(elmts_jj)) == 0 and is_anion_cation_bond(valences, ii, jj) elif condition == self.ONLY_E2OB: ii = parameters['site_index'] jj = parameters['neighbor_index'] elmts_ii = [sp.symbol for sp in structure[ii].species_and_occu] elmts_jj = [sp.symbol for sp in structure[jj].species_and_occu] return ('O' in elmts_jj and 'O' not in elmts_ii) or ('O' in elmts_ii and 'O' not in elmts_jj)
johnson1228/pymatgen
pymatgen/analysis/chemenv/utils/defs_utils.py
Python
mit
4,296
[ "pymatgen" ]
8e7f5e7b5aaaf0583b42c0523561055890536c572caaab2172fa21ee422b6818
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-647188 # # For details, see https://github.com/llnl/spack # Please also see the NOTICE and LICENSE files for our notice and the LGPL. # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License (as # published by the Free Software Foundation) version 2.1, February 1999. # # This program is distributed in the hope that it will be useful, but # WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and # conditions of the GNU Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA ############################################################################## from spack import * class RRsamtools(RPackage): """This package provides an interface to the 'samtools', 'bcftools', and 'tabix' utilities (see 'LICENCE') for manipulating SAM (Sequence Alignment / Map), FASTA, binary variant call (BCF) and compressed indexed tab-delimited (tabix) files.""" homepage = "https://bioconductor.org/packages/Rsamtools/" url = "https://bioconductor.org/packages/3.5/bioc/src/contrib/Rsamtools_1.28.0.tar.gz" list_url = homepage version('1.28.0', '313bceac68edec07f2ee466520461d35') depends_on('r-genomeinfodb', type=('build', 'run')) depends_on('r-genomicranges', type=('build', 'run')) depends_on('r-biostrings', type=('build', 'run')) depends_on('r-biocgenerics', type=('build', 'run')) depends_on('r-s4vectors', type=('build', 'run')) depends_on('r-iranges', type=('build', 'run')) depends_on('r-xvector', type=('build', 'run')) depends_on('r-zlibbioc', type=('build', 'run')) depends_on('r-bitops', type=('build', 'run')) depends_on('r-biocparallel', type=('build', 'run')) depends_on('r@3.4.0:3.4.9', when='@1.28.0')
lgarren/spack
var/spack/repos/builtin/packages/r-rsamtools/package.py
Python
lgpl-2.1
2,380
[ "Bioconductor" ]
648519784a9ac3a142fb04ec1e9bad3cff87ed4a98b1f5bdb6f8cb02eaad0014
# -*- coding: utf-8 -*- # @Author: YangZhou # @Date: 2017-06-17 13:34:52 # @Last Modified by: YangZhou # @Last Modified time: 2017-06-26 16:31:11 import aces.tools as tl from ase import Atoms from aces import default from aces.io.vasp import writevasp from ase import io from aces.tools.Units import Units from aces import config from ase.dft.kpoints import ibz_points from aces.io.lammps.lammpsdata import lammpsdata import numpy as np from aces.env import PROJHOME import atomic class Material: def __init__(self, opt={}): # all the values needed # unit might be changed by opt but need to be used first self.__dict__ = dict(self.__dict__, **default.default) if 'units' in opt: self.units = opt['units'] self.units = Units(self.units) self.elements = ['C', 'N', 'B'] self.set_parameters() self.__dict__ = dict(self.__dict__, **opt) self.super_setup() def __getattr__(self, attr): if attr == "dim": return tl.toString(self.supercell) if attr == "cores": return int(self.nodes) * int(self.procs) # to be overided def set_parameters(self): pass def super_setup(self): self.units = Units(self.units) self.prepare_lammps() self.prepare_phonts() self.bandpoints = ibz_points['fcc'] self.bandpoints['X'] = [.5, 0, 0] self.bandpoints['Y'] = [0, 0.5, 0] self.bandpath = ['Gamma', 'X', 'Y', 'Gamma'] self.premitive = np.eye(3) if not self.useS3: self.supercell3 = self.supercell self.setup() if self.atomfile: atoms = io.read( str(PROJHOME + "/data/" + self.atomfile), format="vasp") self.atoms = atoms.repeat([self.latx, self.laty, self.latz]) # self.atoms.center() else: self.atoms = self.lmp_structure() if self.dimension == 1: self.masses += "\nfix 1d all setforce NULL 0. 0.\nvelocity all set NULL 0.0 0.0 units box" elif self.dimension == 2: self.masses += "\nfix 1d all setforce NULL NULL 0.\nvelocity all set NULL NULL 0.0 units box" # to be overided def setup(self): pass def prepare_lammps(self): self.potential = 'pair_style tersoff\npair_coeff * * %s/BNC.tersoff %s' % ( config.lammpspot, ' '.join(self.elements)) self.dump = "dump_modify dump1 element %s" % (' '.join(self.elements)) masses = atomic.getMassFromLabel(self.elements) self.masses = '\n'.join(["mass %d %f" % (i + 1, mass) for i, mass in enumerate(masses)]) m = self units = self.units m.kb = units.boltz m.nktv = units.nktv2p if(m.method == "nvt"): m.xp = 0 m.dtime = m.timestep * 100 m.tcfactor = units.tcfactor m.excNum = m.aveRate / m.excRate m.swapEnergyRate = m.swapEnergy / (m.excRate * m.timestep) def prepare_phonts(self): masses = atomic.getMassFromLabel(self.elements) self.phontsmasses = '\n'.join( ["%s %f 0.0" % (label, mass) for label, mass in zip(self.elements, masses)]) def structure(self): self.write() # to be overrided def lmp_structure(self): atoms = Atoms() return atoms def write(self): self.watoms(self.atoms) def watoms(self, atoms): # atoms.write("structure.xyz") writevasp(atoms) # write_vasp("POSCAR",atoms,sort="True",direct=True,vasp5=True) self.POSCAR2data() # if len(atoms) < 1000: # atoms.write('structure.png') def writeatoms(self, atoms, label='atoms'): tl.mkcd(label) self.watoms(atoms) tl.cd('..') def getatomicstyle(self): a = "atom_style atomic" if self.creatbonds > 0.0: a = "atom_style bond\natom_modify sort 0 1.\ncomm_modify cutoff 2.0 " return a def POSCAR2data(self): atoms = io.read('POSCAR') m = self atoms.set_pbc([m.xp, m.yp, m.zp]) # debug(atoms.cell) a = lammpsdata(atoms, self.elements) rot = a.writedata(filename="structure", creatbonds=self.creatbonds) d, p, d1, p1 = rot np.savetxt('POSCARrot', np.r_[d, p, d1, p1]) # debug(rot) return rot def atoms_from_dump(self, filename): from atomic import atoms_from_dump as afd atoms = afd(filename=filename, elements=self.elements) m = self atoms.set_pbc([m.xp, m.yp, m.zp]) return atoms def dump2POSCAR(self, dumpname, poscar='POSCAR', rotate=True): atoms = self.atoms_from_dump(dumpname) if rotate: rot = np.loadtxt(tl.dirname(dumpname) + '/POSCARrot') d, p, d1, p1 = rot[:3], rot[3], rot[4:7], rot[7] atoms.rotate(d1, -p1, rotate_cell=True) atoms.rotate(d, -p, rotate_cell=True) # write_vasp(poscar,atoms,sort="True",direct=True,vasp5=True) writevasp(atoms, poscar) return atoms def getboxrange(self): file = open("range") for i in range(5): file.next() xlo, xhi = map(float, file.next().split()[:2]) ylo, yhi = map(float, file.next().split()[:2]) zlo, zhi = map(float, file.next().split()[:2]) return (xlo, xhi, ylo, yhi, zlo, zhi) def getxrange(self): file = open('minimize.xyz') n = file.next().split()[0] n = int(n) file.next() xmin = 100000 xmax = -100000 ymin = 100000 ymax = -100000 zmin = 100000 zmax = -100000 for i in range(n): label, x, y, z = file.next().split() x, y, z = map(float, [x, y, z]) xmin = min(x, xmin) xmax = max(x, xmax) ymin = min(y, ymin) ymax = max(y, ymax) zmin = min(z, zmin) zmax = max(z, zmax) return (xmin, xmax, ymin, ymax, zmin, zmax) def postMini(self): xlo, xhi, ylo, yhi, zlo, zhi = self.getboxrange() xlo0, xhi0, ylo0, yhi0, zlo0, zhi0 = self.getxrange() if(self.xp == 0): xlo = xlo0 xhi = xhi0 if(self.yp == 0): ylo = ylo0 yhi = yhi0 if(self.zp == 0): zlo = zlo0 zhi = zhi0 lx = xhi - xlo ly = yhi - ylo lz = zhi - zlo if(self.enforceThick): self.zfactor = lz / self.thick else: self.zfactor = 1 self.S = ly * lz self.box = (xlo, xhi, ylo, yhi, zlo, zhi, lx, ly, lz)
vanceeasleaf/aces
aces/materials/__init__.py
Python
gpl-2.0
6,769
[ "ASE", "LAMMPS", "VASP" ]
df74c2fc77799cb20a12924441763e26c74dda6bf300b507a040e88adf780f4a
from gpaw import GPAW, PW from ase.lattice import bulk si = bulk('Si') si.calc = GPAW(mode=PW(200), kpts={'size': (2, 2, 2), 'gamma': True}) si.get_potential_energy() si.calc.diagonalize_full_hamiltonian() si.calc.write('Si_gs', 'all') dct = {} execfile('Si_g0w0_ppa.py', dct) assert abs(dct['ks_gap'] - 0.443) < 0.01 assert abs(dct['qp_gap'] - 1.046) < 0.01
robwarm/gpaw-symm
doc/exercises/gw/test.py
Python
gpl-3.0
359
[ "ASE", "GPAW" ]
e7befae5b53d7a9291a5ee5c6e6a072e305f2bd6d2e0e287f101ae57e1c576be
#!/usr/bin/env python # Run this test like so: # $ vtkpython TestTextureGlyph.py -D $VTK_DATA_ROOT \ # -B $VTK_DATA_ROOT/Baseline/Graphics/ # # $ vtkpython TestTextureGlyph.py --help # provides more details on other options. import os import os.path import vtk from vtk.test import Testing class TestTextureGlyph(Testing.vtkTest): def testGlyphs(self): """Test if texturing of the glyphs works correctly.""" # The Glyph cs = vtk.vtkCubeSource() cs.SetXLength(2.0); cs.SetYLength(1.0); cs.SetZLength(0.5) # Create input point data. pts = vtk.vtkPoints() pts.InsertPoint(0, (1,1,1)) pts.InsertPoint(1, (0,0,0)) pts.InsertPoint(2, (-1,-1,-1)) polys = vtk.vtkCellArray() polys.InsertNextCell(1) polys.InsertCellPoint(0) polys.InsertNextCell(1) polys.InsertCellPoint(1) polys.InsertNextCell(1) polys.InsertCellPoint(2) pd = vtk.vtkPolyData() pd.SetPoints(pts) pd.SetPolys(polys) # Orient the glyphs as per vectors. vec = vtk.vtkFloatArray() vec.SetNumberOfComponents(3) vec.InsertTuple3(0, 1, 0, 0) vec.InsertTuple3(1, 0, 1, 0) vec.InsertTuple3(2, 0, 0, 1) pd.GetPointData().SetVectors(vec) # The glyph filter. g = vtk.vtkGlyph3D() g.SetScaleModeToDataScalingOff() g.SetVectorModeToUseVector() g.SetInput(pd) g.SetSource(cs.GetOutput()) m = vtk.vtkPolyDataMapper() m.SetInputConnection(g.GetOutputPort()) a = vtk.vtkActor() a.SetMapper(m) # The texture. img_file = os.path.join(Testing.VTK_DATA_ROOT, "Data", "masonry.bmp") img_r = vtk.vtkBMPReader() img_r.SetFileName(img_file) t = vtk.vtkTexture() t.SetInputConnection(img_r.GetOutputPort()) t.InterpolateOn() a.SetTexture(t) # Renderer, RenderWindow etc. ren = vtk.vtkRenderer() ren.SetBackground(0.5, 0.5, 0.5) ren.AddActor(a) ren.ResetCamera(); cam = ren.GetActiveCamera() cam.Azimuth(-90) cam.Zoom(1.4) renWin = vtk.vtkRenderWindow() renWin.AddRenderer(ren) rwi = vtk.vtkRenderWindowInteractor() rwi.SetRenderWindow(renWin) rwi.Initialize() rwi.Render() # Compare the images and test. img_file = "TestTextureGlyph.png" Testing.compareImage(renWin, Testing.getAbsImagePath(img_file)) # Interact if necessary. if Testing.isInteractive(): rwi.Start() if __name__ == "__main__": Testing.main([(TestTextureGlyph, 'test')])
naucoin/VTKSlicerWidgets
Graphics/Testing/Python/TestTextureGlyph.py
Python
bsd-3-clause
2,758
[ "VTK" ]
59ada863efdb3edb6e1cc8fa0ee08d51b1b8521b95894cecf8f07e1765922b03
# Default Django settings. Override these with settings in the module # pointed-to by the DJANGO_SETTINGS_MODULE environment variable. # This is defined here as a do-nothing function because we can't import # django.utils.translation -- that module depends on the settings. gettext_noop = lambda s: s #################### # CORE # #################### DEBUG = False TEMPLATE_DEBUG = False # Whether the framework should propagate raw exceptions rather than catching # them. This is useful under some testing siutations and should never be used # on a live site. DEBUG_PROPAGATE_EXCEPTIONS = False # Whether to use the "Etag" header. This saves bandwidth but slows down performance. USE_ETAGS = False # People who get code error notifications. # In the format (('Full Name', 'email@domain.com'), ('Full Name', 'anotheremail@domain.com')) ADMINS = () # Tuple of IP addresses, as strings, that: # * See debug comments, when DEBUG is true # * Receive x-headers INTERNAL_IPS = () # Local time zone for this installation. All choices can be found here: # http://en.wikipedia.org/wiki/List_of_tz_zones_by_name (although not all # systems may support all possibilities). TIME_ZONE = 'America/Chicago' # Language code for this installation. All choices can be found here: # http://www.i18nguy.com/unicode/language-identifiers.html LANGUAGE_CODE = 'en-us' # Languages we provide translations for, out of the box. The language name # should be the utf-8 encoded local name for the language. LANGUAGES = ( ('ar', gettext_noop('Arabic')), ('bn', gettext_noop('Bengali')), ('bg', gettext_noop('Bulgarian')), ('ca', gettext_noop('Catalan')), ('cs', gettext_noop('Czech')), ('cy', gettext_noop('Welsh')), ('da', gettext_noop('Danish')), ('de', gettext_noop('German')), ('el', gettext_noop('Greek')), ('en', gettext_noop('English')), ('es', gettext_noop('Spanish')), ('et', gettext_noop('Estonian')), ('es-ar', gettext_noop('Argentinean Spanish')), ('eu', gettext_noop('Basque')), ('fa', gettext_noop('Persian')), ('fi', gettext_noop('Finnish')), ('fr', gettext_noop('French')), ('ga', gettext_noop('Irish')), ('gl', gettext_noop('Galician')), ('hu', gettext_noop('Hungarian')), ('he', gettext_noop('Hebrew')), ('hr', gettext_noop('Croatian')), ('is', gettext_noop('Icelandic')), ('it', gettext_noop('Italian')), ('ja', gettext_noop('Japanese')), ('ka', gettext_noop('Georgian')), ('ko', gettext_noop('Korean')), ('km', gettext_noop('Khmer')), ('kn', gettext_noop('Kannada')), ('lv', gettext_noop('Latvian')), ('lt', gettext_noop('Lithuanian')), ('mk', gettext_noop('Macedonian')), ('nl', gettext_noop('Dutch')), ('no', gettext_noop('Norwegian')), ('pl', gettext_noop('Polish')), ('pt', gettext_noop('Portugese')), ('pt-br', gettext_noop('Brazilian Portuguese')), ('ro', gettext_noop('Romanian')), ('ru', gettext_noop('Russian')), ('sk', gettext_noop('Slovak')), ('sl', gettext_noop('Slovenian')), ('sr', gettext_noop('Serbian')), ('sv', gettext_noop('Swedish')), ('ta', gettext_noop('Tamil')), ('te', gettext_noop('Telugu')), ('tr', gettext_noop('Turkish')), ('uk', gettext_noop('Ukrainian')), ('zh-cn', gettext_noop('Simplified Chinese')), ('zh-tw', gettext_noop('Traditional Chinese')), ) # Languages using BiDi (right-to-left) layout LANGUAGES_BIDI = ("he", "ar", "fa") # If you set this to False, Django will make some optimizations so as not # to load the internationalization machinery. USE_I18N = True LOCALE_PATHS = () LANGUAGE_COOKIE_NAME = 'django_language' # Not-necessarily-technical managers of the site. They get broken link # notifications and other various e-mails. MANAGERS = ADMINS # Default content type and charset to use for all HttpResponse objects, if a # MIME type isn't manually specified. These are used to construct the # Content-Type header. DEFAULT_CONTENT_TYPE = 'text/html' DEFAULT_CHARSET = 'utf-8' # Encoding of files read from disk (template and initial SQL files). FILE_CHARSET = 'utf-8' # E-mail address that error messages come from. SERVER_EMAIL = 'root@localhost' # Whether to send broken-link e-mails. SEND_BROKEN_LINK_EMAILS = False # Database connection info. DATABASE_ENGINE = '' # 'postgresql_psycopg2', 'postgresql', 'mysql', 'sqlite3' or 'oracle'. DATABASE_NAME = '' # Or path to database file if using sqlite3. DATABASE_USER = '' # Not used with sqlite3. DATABASE_PASSWORD = '' # Not used with sqlite3. DATABASE_HOST = '' # Set to empty string for localhost. Not used with sqlite3. DATABASE_PORT = '' # Set to empty string for default. Not used with sqlite3. DATABASE_OPTIONS = {} # Set to empty dictionary for default. # Host for sending e-mail. EMAIL_HOST = 'localhost' # Port for sending e-mail. EMAIL_PORT = 25 # Optional SMTP authentication information for EMAIL_HOST. EMAIL_HOST_USER = '' EMAIL_HOST_PASSWORD = '' EMAIL_USE_TLS = False # List of strings representing installed apps. INSTALLED_APPS = () # List of locations of the template source files, in search order. TEMPLATE_DIRS = () # List of callables that know how to import templates from various sources. # See the comments in django/core/template/loader.py for interface # documentation. TEMPLATE_LOADERS = ( 'django.template.loaders.filesystem.load_template_source', 'django.template.loaders.app_directories.load_template_source', # 'django.template.loaders.eggs.load_template_source', ) # List of processors used by RequestContext to populate the context. # Each one should be a callable that takes the request object as its # only parameter and returns a dictionary to add to the context. TEMPLATE_CONTEXT_PROCESSORS = ( 'django.core.context_processors.auth', 'django.core.context_processors.debug', 'django.core.context_processors.i18n', 'django.core.context_processors.media', # 'django.core.context_processors.request', ) # Output to use in template system for invalid (e.g. misspelled) variables. TEMPLATE_STRING_IF_INVALID = '' # URL prefix for admin media -- CSS, JavaScript and images. Make sure to use a # trailing slash. # Examples: "http://foo.com/media/", "/media/". ADMIN_MEDIA_PREFIX = '/media/' # Default e-mail address to use for various automated correspondence from # the site managers. DEFAULT_FROM_EMAIL = 'webmaster@localhost' # Subject-line prefix for email messages send with django.core.mail.mail_admins # or ...mail_managers. Make sure to include the trailing space. EMAIL_SUBJECT_PREFIX = '[Django] ' # Whether to append trailing slashes to URLs. APPEND_SLASH = True # Whether to prepend the "www." subdomain to URLs that don't have it. PREPEND_WWW = False # Override the server-derived value of SCRIPT_NAME FORCE_SCRIPT_NAME = None # List of compiled regular expression objects representing User-Agent strings # that are not allowed to visit any page, systemwide. Use this for bad # robots/crawlers. Here are a few examples: # import re # DISALLOWED_USER_AGENTS = ( # re.compile(r'^NaverBot.*'), # re.compile(r'^EmailSiphon.*'), # re.compile(r'^SiteSucker.*'), # re.compile(r'^sohu-search') # ) DISALLOWED_USER_AGENTS = () ABSOLUTE_URL_OVERRIDES = {} # Tuple of strings representing allowed prefixes for the {% ssi %} tag. # Example: ('/home/html', '/var/www') ALLOWED_INCLUDE_ROOTS = () # If this is a admin settings module, this should be a list of # settings modules (in the format 'foo.bar.baz') for which this admin # is an admin. ADMIN_FOR = () # 404s that may be ignored. IGNORABLE_404_STARTS = ('/cgi-bin/', '/_vti_bin', '/_vti_inf') IGNORABLE_404_ENDS = ('mail.pl', 'mailform.pl', 'mail.cgi', 'mailform.cgi', 'favicon.ico', '.php') # A secret key for this particular Django installation. Used in secret-key # hashing algorithms. Set this in your settings, or Django will complain # loudly. SECRET_KEY = '' # Path to the "jing" executable -- needed to validate XMLFields JING_PATH = "/usr/bin/jing" # Default file storage mechanism that holds media. DEFAULT_FILE_STORAGE = 'django.core.files.storage.FileSystemStorage' # Absolute path to the directory that holds media. # Example: "/home/media/media.lawrence.com/" MEDIA_ROOT = '' # URL that handles the media served from MEDIA_ROOT. # Example: "http://media.lawrence.com" MEDIA_URL = '' # List of upload handler classes to be applied in order. FILE_UPLOAD_HANDLERS = ( 'django.core.files.uploadhandler.MemoryFileUploadHandler', 'django.core.files.uploadhandler.TemporaryFileUploadHandler', ) # Maximum size, in bytes, of a request before it will be streamed to the # file system instead of into memory. FILE_UPLOAD_MAX_MEMORY_SIZE = 2621440 # i.e. 2.5 MB # Directory in which upload streamed files will be temporarily saved. A value of # `None` will make Django use the operating system's default temporary directory # (i.e. "/tmp" on *nix systems). FILE_UPLOAD_TEMP_DIR = None # The numeric mode to set newly-uploaded files to. The value should be a mode # you'd pass directly to os.chmod; see http://docs.python.org/lib/os-file-dir.html. FILE_UPLOAD_PERMISSIONS = None # Default formatting for date objects. See all available format strings here: # http://docs.djangoproject.com/en/dev/ref/templates/builtins/#now DATE_FORMAT = 'N j, Y' # Default formatting for datetime objects. See all available format strings here: # http://docs.djangoproject.com/en/dev/ref/templates/builtins/#now DATETIME_FORMAT = 'N j, Y, P' # Default formatting for time objects. See all available format strings here: # http://docs.djangoproject.com/en/dev/ref/templates/builtins/#now TIME_FORMAT = 'P' # Default formatting for date objects when only the year and month are relevant. # See all available format strings here: # http://docs.djangoproject.com/en/dev/ref/templates/builtins/#now YEAR_MONTH_FORMAT = 'F Y' # Default formatting for date objects when only the month and day are relevant. # See all available format strings here: # http://docs.djangoproject.com/en/dev/ref/templates/builtins/#now MONTH_DAY_FORMAT = 'F j' # Do you want to manage transactions manually? # Hint: you really don't! TRANSACTIONS_MANAGED = False # The User-Agent string to use when checking for URL validity through the # isExistingURL validator. from django import get_version URL_VALIDATOR_USER_AGENT = "Django/%s (http://www.djangoproject.com)" % get_version() # The tablespaces to use for each model when not specified otherwise. DEFAULT_TABLESPACE = '' DEFAULT_INDEX_TABLESPACE = '' ############## # MIDDLEWARE # ############## # List of middleware classes to use. Order is important; in the request phase, # this middleware classes will be applied in the order given, and in the # response phase the middleware will be applied in reverse order. MIDDLEWARE_CLASSES = ( 'django.contrib.sessions.middleware.SessionMiddleware', 'django.contrib.auth.middleware.AuthenticationMiddleware', # 'django.middleware.http.ConditionalGetMiddleware', # 'django.middleware.gzip.GZipMiddleware', 'django.middleware.common.CommonMiddleware', ) ############ # SESSIONS # ############ SESSION_COOKIE_NAME = 'sessionid' # Cookie name. This can be whatever you want. SESSION_COOKIE_AGE = 60 * 60 * 24 * 7 * 2 # Age of cookie, in seconds (default: 2 weeks). SESSION_COOKIE_DOMAIN = None # A string like ".lawrence.com", or None for standard domain cookie. SESSION_COOKIE_SECURE = False # Whether the session cookie should be secure (https:// only). SESSION_COOKIE_PATH = '/' # The path of the session cookie. SESSION_SAVE_EVERY_REQUEST = False # Whether to save the session data on every request. SESSION_EXPIRE_AT_BROWSER_CLOSE = False # Whether a user's session cookie expires when the Web browser is closed. SESSION_ENGINE = 'django.contrib.sessions.backends.db' # The module to store session data SESSION_FILE_PATH = None # Directory to store session files if using the file session module. If None, the backend will use a sensible default. ######### # CACHE # ######### # The cache backend to use. See the docstring in django.core.cache for the # possible values. CACHE_BACKEND = 'locmem://' CACHE_MIDDLEWARE_KEY_PREFIX = '' CACHE_MIDDLEWARE_SECONDS = 600 #################### # COMMENTS # #################### COMMENTS_ALLOW_PROFANITIES = False # The profanities that will trigger a validation error in the # 'hasNoProfanities' validator. All of these should be in lowercase. PROFANITIES_LIST = ('asshat', 'asshead', 'asshole', 'cunt', 'fuck', 'gook', 'nigger', 'shit') # The group ID that designates which users are banned. # Set to None if you're not using it. COMMENTS_BANNED_USERS_GROUP = None # The group ID that designates which users can moderate comments. # Set to None if you're not using it. COMMENTS_MODERATORS_GROUP = None # The group ID that designates the users whose comments should be e-mailed to MANAGERS. # Set to None if you're not using it. COMMENTS_SKETCHY_USERS_GROUP = None # The system will e-mail MANAGERS the first COMMENTS_FIRST_FEW comments by each # user. Set this to 0 if you want to disable it. COMMENTS_FIRST_FEW = 0 # A tuple of IP addresses that have been banned from participating in various # Django-powered features. BANNED_IPS = () ################## # AUTHENTICATION # ################## AUTHENTICATION_BACKENDS = ('django.contrib.auth.backends.ModelBackend',) LOGIN_URL = '/accounts/login/' LOGOUT_URL = '/accounts/logout/' LOGIN_REDIRECT_URL = '/accounts/profile/' # The number of days a password reset link is valid for PASSWORD_RESET_TIMEOUT_DAYS = 3 ########### # TESTING # ########### # The name of the method to use to invoke the test suite TEST_RUNNER = 'django.test.simple.run_tests' # The name of the database to use for testing purposes. # If None, a name of 'test_' + DATABASE_NAME will be assumed TEST_DATABASE_NAME = None # Strings used to set the character set and collation order for the test # database. These values are passed literally to the server, so they are # backend-dependent. If None, no special settings are sent (system defaults are # used). TEST_DATABASE_CHARSET = None TEST_DATABASE_COLLATION = None ############ # FIXTURES # ############ # The list of directories to search for fixtures FIXTURE_DIRS = ()
AloneRoad/Inforlearn
vendor/django/conf/global_settings.py
Python
apache-2.0
14,586
[ "VisIt" ]
2bef68d8eab6ac886f0ff9523127ff25cd1a2f8b7c24778522df43b8d2d7b161
''' <h1> Library for specular and off-specular x-ray reflectivity</h1> interdiff is a model for specular and off specular simulations including the effects of interdiffusion in hte calculations. The specular simulations is conducted with Parrats recursion formula. The off-specular, diffuse calculations are done with the distorted Born wave approximation (DWBA) as derived by Holy and with the extensions done by Wormington to include diffuse interfaces. <h2>Classes</h2> <h3>Layer</h3> <code> Layer(b = 0.0, d = 0.0, f = 0.0+0.0J, dens = 1.0, magn_ang = 0.0, magn = 0.0, sigma = 0.0)</code> <dl> <dt><code><b>d</b></code></dt> <dd>The thickness of the layer in AA (Angstroms = 1e-10m)</dd> <dt><code><b>f</b></code></dt> <dd>The x-ray scattering length per formula unit in electrons. To be strict it is the number of Thompson scattering lengths for each formula unit.</dd> <dt><code><b>dens</b></code></dt> <dd>The density of formula units in units per Angstroms. Note the units!</dd> <dt><code><b>sigmai</b></code></dt> <dd>The root mean square <em>interdiffusion</em> of the top interface of the layer in Angstroms.</dd> <dt><code><b>sigmar</b></code></dt> <dd>The root mean square <em>roughness</em> of the top interface of the layer in Angstroms.</dd> </dl> <h3>Stack</h3> <code> Stack(Layers = [], Repetitions = 1)</code> <dl> <dt><code><b>Layers</b></code></dt> <dd>A <code>list</code> consiting of <code>Layer</code>s in the stack the first item is the layer closest to the bottom</dd> <dt><code><b>Repetitions</b></code></dt> <dd>The number of repsetions of the stack</dd> </dl> <h3>Sample</h3> <code> Sample(Stacks = [], Ambient = Layer(), Substrate = Layer(), eta_z = 10.0, eta_x = 10.0, h = 1.0)</code> <dl> <dt><code><b>Stacks</b></code></dt> <dd>A <code>list</code> consiting of <code>Stack</code>s in the stacks the first item is the layer closest to the bottom</dd> <dt><code><b>Ambient</b></code></dt> <dd>A <code>Layer</code> describing the Ambient (enviroment above the sample). Only the scattering lengths and density of the layer is used.</dd> <dt><code><b>Substrate</b></code></dt> <dd>A <code>Layer</code> describing the substrate (enviroment below the sample). Only the scattering lengths, density and roughness of the layer is used.</dd> <dt><code><b>eta_z</b></code></dt> <dd>The out-of plane (vertical) correlation length of the roughness in the sample. Given in AA. </dd> <dt><code><b>eta_x</b></code></dt> <dd>The in-plane global correlation length (it is assumed equal for all layers). Given in AA.</dd> <dt><code><b>h</b></code></dt> <dd>The jaggedness parameter, should be between 0 and 1.0. This describes how jagged the interfaces are. This is also a global parameter for all interfaces.</dd> </dl> <h3>Instrument</h3> <code>Instrument(wavelength = 1.54, coords = 'tth', I0 = 1.0 res = 0.001, restype = 'no conv', respoints = 5, resintrange = 2, beamw = 0.01, footype = 'no corr', samplelen = 10.0, taylor_n = 1)</code> <dl> <dt><code><b>wavelength</b></code></dt> <dd>The wavalelngth of the radiation givenin AA (Angstroms)</dd> <dt><code><b>coords</b></code></dt> <dd>The coordinates of the data given to the SimSpecular function. The available alternatives are: 'q' or 'tth'. Alternatively the numbers 0 (q) or 1 (tth) can be used.</dd> <dt><code><b>I0</b></code></dt> <dd>The incident intensity (a scaling factor)</dd> <dt><code><b>Ibkg</b></code></dt> <dd>The background intensity. Added as a constant value to the calculated reflectivity</dd> <dt><code><b>res</b></code></dt> <dd>The resolution of the instrument given in the coordinates of <code>coords</code>. This assumes a gaussian reloution function and <code>res</code> is the standard deviation of that gaussian.</dd> <dt><code><b>restype</b></code></dt> <dd>Describes the rype of the resolution calculated. One of the alterantives: 'no conv', 'fast conv', 'full conv and varying res.' or 'fast conv + varying res.'. The respective numbers 0-3 also works. Note that fast convolution only alllows a single value into res wheras the other can also take an array with the same length as the x-data (varying resolution)</dd> <dt><code><b>respoints</b></code></dt> <dd>The number of points to include in the resolution calculation. This is only used for 'full conv and vaying res.' and 'fast conv + varying res'</dd> <dt><code><b>resintrange</b></code></dt> <dd>Number of standard deviatons to integrate the resolution fucntion times the relfectivty over</dd> <dt><code><b>footype</b></code></dt> <dd>Which type of footprint correction is to be applied to the simulation. One of: 'no corr', 'gauss beam' or 'square beam'. Alternatively, the number 0-2 are also valid. The different choices are self explanatory. </dd> <dt><code><b>beamw</b></code></dt> <dd>The width of the beam given in mm. For 'gauss beam' it should be the standard deviation. For 'square beam' it is the full width of the beam.</dd> <dt><code><b>samplelen</b></code></dt> <dd>The length of the sample given in mm</dd> <dt><code><b>taylor_n</b></code></dt> <dd>The number terms taken into account in the taylor expansion of the fourier integral of the correlation function. More terms more accurate calculation but also much slower.</dd> ''' #import lib.paratt as Paratt try: import lib.paratt_weave as Paratt except StandardError,S: print 'Not using inline c code for reflectivity calcs - can not import module' print S import lib.paratt as Paratt __offspec__ = True try: import lib.offspec2_weave except Exception,S: print 'Failed to import: offspec2_weave, No off-specular simulations possible' print S __offspec__ = False from numpy import * from scipy.special import erf from lib.instrument import * # Preamble to define the parameters needed for the models outlined below: ModelID='MingInterdiff' # Automatic loading of parameters possible by including this list __pars__ = ['Layer', 'Stack', 'Sample', 'Instrument'] # Used for making choices in the GUI instrument_string_choices = {'coords': ['q','tth'],\ 'restype': ['no conv', 'fast conv',\ 'full conv and varying res.', 'fast conv + varying res.'],\ 'footype': ['no corr', 'gauss beam', 'square beam']} InstrumentParameters={'wavelength':1.54,'coords':'tth','I0':1.0,'res':0.001,\ 'restype':'no conv','respoints':5,'resintrange':2,'beamw':0.01,'footype': 'no corr',\ 'samplelen':10.0, 'Ibkg': 0.0, 'taylor_n': 1} # Coordinates=1 => twothetainput # Coordinates=0 => Q input #Res stddev of resolution #ResType 0: No resolution convlution # 1: Fast convolution # 2: Full Convolution +varying resolution # 3: Fast convolution varying resolution #ResPoints Number of points for the convolution only valid for ResolutionType=2 #ResIntrange Number of standard deviatons to integrate over default 2 # Parameters for footprint coorections # Footype: 0: No corections for footprint # 1: Correction for Gaussian beam => Beaw given in mm and stddev # 2: Correction for square profile => Beaw given in full width mm # Samlen= Samplelength in mm. LayerParameters = {'sigmai':0.0, 'sigmar':0.0, 'dens':1.0, 'd':0.0,\ 'f':0.0+1.0j} StackParameters = {'Layers':[], 'Repetitions':1} SampleParameters = {'Stacks':[], 'Ambient':None, 'Substrate':None, 'h':1.0,\ 'eta_z':10.0, 'eta_x':10.0} def Specular(TwoThetaQz, sample, instrument): # preamble to get it working with my class interface restype = instrument.getRestype() if restype == 2 or restype == instrument_string_choices['restype'][2]: (TwoThetaQz,weight) = ResolutionVector(TwoThetaQz[:], \ instrument.getRes(), instrument.getRespoints(),\ range=instrument.getResintrange()) if instrument.getCoords() == 1 or\ instrument.getCoords() == instrument_string_choices['coords'][1]: theta = TwoThetaQz/2 elif instrument.getCoords() == 0 or\ instrument.getCoords() == instrument_string_choices['coords'][0]: theta = arcsin(TwoThetaQz/4/pi*instrument.getWavelength())*180./pi lamda = instrument.getWavelength() parameters = sample.resolveLayerParameters() dens = array(parameters['dens'], dtype = complex64) #print [type(f) for f in parameters['f']] f = array(parameters['f'], dtype = complex64) re = 2.82e-13*1e2/1e-10 n = 1 - dens*re*lamda**2/2/pi*f*1e-4 d = array(parameters['d'], dtype = float64) #d = d[1:-1] sigmar = array(parameters['sigmar'], dtype = float64) #sigmar = sigmar[:-1] sigmai = array(parameters['sigmai'], dtype = float64) #sigmai = sigmai[:-1] sigma = sqrt(sigmai**2 + sigmar**2) #print sigma R = Paratt.Refl(theta, lamda, n, d, sigma)*instrument.getI0() #FootprintCorrections foocor = 1.0 footype = instrument.getFootype() beamw = instrument.getBeamw() samlen = instrument.getSamplelen() if footype == 0 or footype == instrument_string_choices['footype'][0]: foocor = 1.0 elif footype == 1 or footype == instrument_string_choices['footype'][1]: foocor = GaussIntensity(theta, samlen/2.0, samlen/2.0, beamw) elif footype == 2 or footype == instrument_string_choices['footype'][2]: foocor = SquareIntensity(theta, samlen, beamw) else: raise ValueError('Variable footype has an unvalid value') if restype == 0 or restype == instrument_string_choices['restype'][0]: R = R[:]*foocor elif restype == 1 or restype == instrument_string_choices['restype'][1]: R = ConvoluteFast(TwoThetaQz,R[:]*foocor, instrument.getRes(),\ range = instrument.getResintrange()) elif restype == 2 or restype == instrument_string_choices['restype'][2]: R = ConvoluteResolutionVector(TwoThetaQz,R[:]*foocor, weight) elif restype == 3 or restype == instrument_string_choices['restype'][3]: R = ConvoluteFastVar(TwoThetaQz,R[:]*foocor, instrument.getRes(),\ range = instrument.getResintrange()) else: raise ValueError('Variable restype has an unvalid value') return R + instrument.getIbkg() def OffSpecularMingInterdiff(TwoThetaQz, ThetaQx, sample, instrument): lamda = instrument.getWavelength() if instrument.getCoords() == 1 or\ instrument.getCoords() == instrument_string_choices['coords'][1]: alphaR1 = ThetaQx betaR1 = TwoThetaQz - ThetaQx qx = 2*pi/lamda*(cos(alphaR1*pi/180) - cos(betaR1*pi/180)) qz = 2*pi/lamda*(sin(alphaR1*pi/180) + sin(betaR1*pi/180)) else: qz = TwoThetaQz qx = ThetaQx #print qx #print qz parameters = sample.resolveLayerParameters() def toarray(a, code): a = list(a) a.reverse() return array(a, dtype = code) dens = array(parameters['dens'], dtype = complex64) f = array(parameters['f'], dtype = complex64) re = 2.82e-13*1e2/1e-10 n = 1 - dens*re*lamda**2/2/pi*f*1e-4 n = toarray(n, code = complex64) sigmar = toarray(parameters['sigmar'], code = float64) sigmar = sigmar[1:] #print sigmar sigmai = toarray(parameters['sigmai'],code = float64) sigmai = sigmai[1:] + 1e-5 #print sigmai d=toarray(parameters['d'], code = float64) d=r_[0, d[1:-1]] #print d z = -cumsum(d) #print z eta = sample.getEta_x() #print eta h = sample.getH() #print h eta_z = sample.getEta_z() #print eta_z if __offspec__: (I, alpha, omega) = lib.offspec2_weave.DWBA_Interdiff(qx, qz, lamda, n, z,\ sigmar, sigmai, eta, h, eta_z, d,\ taylor_n = instrument.getTaylor_n()) else: I=ones(len(qx*qz)) return real(I)*instrument.getI0() + instrument.getIbkg() def SLD_calculations(z, sample, inst): ''' Calculates the scatteringlength density as at the positions z ''' parameters = sample.resolveLayerParameters() dens = array(parameters['dens'], dtype = complex64) f = array(parameters['f'], dtype = complex64) sld = dens*f d_sld = sld[:-1] - sld[1:] d = array(parameters['d'], dtype = float64) d = d[1:-1] # Include one extra element - the zero pos (substrate/film interface) int_pos = cumsum(r_[0,d]) sigmar = array(parameters['sigmar'], dtype = float64) sigmar = sigmar[:-1] sigmai = array(parameters['sigmai'], dtype = float64) sigmai = sigmai[:-1] sigma = sqrt(sigmai**2 + sigmar**2)+1e-7 if z == None: z = arange(-sigma[0]*5, int_pos.max()+sigma[-1]*5, 0.5) rho = sum(d_sld*(0.5 - 0.5*erf((z[:,newaxis]-int_pos)/sqrt(2.)/sigma)), 1) + sld[-1] return {'real sld': real(rho), 'imag sld': imag(rho), 'z':z} SimulationFunctions = {'Specular':Specular,\ 'OffSpecular':OffSpecularMingInterdiff,\ 'SLD': SLD_calculations} import lib.refl as Refl (Instrument, Layer, Stack, Sample) = Refl.MakeClasses(InstrumentParameters,\ LayerParameters,StackParameters,\ SampleParameters, SimulationFunctions, ModelID) if __name__=='__main__': Fe=Layer(d=10,sigmar=3.0,n=1-2.247e-5+2.891e-6j) Si=Layer(d=15,sigmar=3.0,n=1-7.577e-6+1.756e-7j) sub=Layer(sigmar=3.0,n=1-7.577e-6+1.756e-7j) amb=Layer(n=1.0,sigmar=1.0) stack=Stack(Layers=[Fe,Si],Repetitions=20) sample=Sample(Stacks=[stack],Ambient=amb,Substrate=sub,eta_z=500.0,eta_x=100.0) print sample inst=Instrument(Wavelength=1.54,Coordinates=1)
jackey-qiu/genx
models/interdiff.py
Python
gpl-3.0
13,802
[ "Gaussian" ]
dece41702b319d38b80308daee4c23f6726d83b80fa6ed53257fc05900643d8d
#!/usr/bin/python # # This source file is part of appleseed. # Visit http://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2010-2013 Francois Beaune, Jupiter Jazz Limited # Copyright (c) 2014-2017 Francois Beaune, The appleseedhq Organization # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publish, distribute, sublicense, and/or sell # copies of the Software, and to permit persons to whom the Software is # furnished to do so, subject to the following conditions: # # The above copyright notice and this permission notice shall be included in # all copies or substantial portions of the Software. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE # AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER # LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN # THE SOFTWARE. # from __future__ import print_function from distutils import archive_util, dir_util from stat import * from subprocess import * from xml.etree.ElementTree import ElementTree import glob import os import platform import re import shutil import stat import subprocess import sys import time import traceback import zipfile #-------------------------------------------------------------------------------------------------- # Constants. #-------------------------------------------------------------------------------------------------- VERSION = "2.4.5" SETTINGS_FILENAME = "appleseed.package.configuration.xml" #-------------------------------------------------------------------------------------------------- # Utility functions. #-------------------------------------------------------------------------------------------------- def info(message): print(" " + message) def progress(message): print(" " + message + "...") def fatal(message): print("Fatal: " + message + ". Aborting.") if sys.exc_info()[0]: print(traceback.format_exc()) sys.exit(1) def exe(filepath): return filepath + ".exe" if os.name == "nt" else filepath def safe_delete_file(path): try: if os.path.exists(path): os.remove(path) except OSError: fatal("Failed to delete file '" + path + "'") def on_rmtree_error(func, path, exc_info): # path contains the path of the file that couldn't be removed. # Let's just assume that it's read-only and unlink it. os.chmod(path, stat.S_IWRITE) os.unlink(path) def safe_delete_directory(path): Attempts = 10 for attempt in range(Attempts): try: if os.path.exists(path): shutil.rmtree(path, onerror=on_rmtree_error) return except OSError: if attempt < Attempts - 1: time.sleep(0.5) else: fatal("Failed to delete directory '" + path + "'") def safe_make_directory(path): if not os.path.isdir(path): os.makedirs(path) def pushd(path): old_path = os.getcwd() os.chdir(path) return old_path def extract_zip_file(zip_path, output_path): zf = zipfile.ZipFile(zip_path) zf.extractall(output_path) zf.close() def copy_glob(input_pattern, output_path): for input_file in glob.glob(input_pattern): shutil.copy(input_file, output_path) def make_writable(filepath): os.chmod(filepath, S_IRUSR | S_IWUSR) #-------------------------------------------------------------------------------------------------- # Settings. #-------------------------------------------------------------------------------------------------- class Settings: def load(self): print("Loading settings from " + SETTINGS_FILENAME + "...") tree = ElementTree() try: tree.parse(SETTINGS_FILENAME) except IOError: fatal("Failed to load configuration file '" + SETTINGS_FILENAME + "'") self.load_values(tree) self.print_summary() def load_values(self, tree): self.platform = self.__get_required(tree, "platform") self.configuration = self.__get_required(tree, "configuration") self.appleseed_path = self.__get_required(tree, "appleseed_path") self.appleseed_headers_path = self.__get_required(tree, "appleseed_headers_path") self.qt_runtime_path = self.__get_required(tree, "qt_runtime_path") self.platform_runtime_path = self.__get_required(tree, "platform_runtime_path") self.package_output_path = self.__get_required(tree, "package_output_path") def print_summary(self): print("") print(" Platform: " + self.platform) print(" Configuration: " + self.configuration) print(" Path to appleseed: " + self.appleseed_path) print(" Path to appleseed headers: " + self.appleseed_headers_path) print(" Path to Qt runtime: " + self.qt_runtime_path) if os.name == "nt": print(" Path to platform runtime: " + self.platform_runtime_path) print(" Output directory: " + self.package_output_path) print("") def __get_required(self, tree, key): value = tree.findtext(key) if value is None: fatal("Missing value \"{0}\" in configuration file".format(key)) return value #-------------------------------------------------------------------------------------------------- # Package information. #-------------------------------------------------------------------------------------------------- class PackageInfo: def __init__(self, settings): self.settings = settings def load(self): print("Loading package information...") self.retrieve_git_tag() self.build_package_path() self.print_summary() def retrieve_git_tag(self): old_path = pushd(self.settings.appleseed_path) self.version = Popen("git describe --long", stdout=PIPE, shell=True).stdout.read().strip() os.chdir(old_path) def build_package_path(self): package_name = "appleseed-" + self.version + "-" + self.settings.platform + ".zip" self.package_path = os.path.join(self.settings.package_output_path, self.version, package_name) def print_summary(self): print("") print(" Version: " + self.version) print(" Package path: " + self.package_path) print("") #-------------------------------------------------------------------------------------------------- # Base package builder. #-------------------------------------------------------------------------------------------------- class PackageBuilder: def __init__(self, settings, package_info): self.settings = settings self.package_info = package_info def build_package(self): print("Building package:") print("") self.orchestrate() print("") print("The package was successfully built.") def orchestrate(self): self.remove_leftovers() self.retrieve_sandbox_from_git_repository() self.deploy_sandbox_to_stage() self.cleanup_stage() self.add_local_binaries_to_stage() self.add_local_libraries_to_stage() self.add_headers_to_stage() self.add_shaders_to_stage() self.add_scripts_to_stage() self.add_local_schema_files_to_stage() self.add_text_files_to_stage() self.add_dummy_files_into_empty_directories() self.disable_system_qt_plugins() self.alter_stage() self.build_final_zip_file() self.remove_stage() def remove_leftovers(self): progress("Removing leftovers from previous invocations") safe_delete_directory("appleseed") safe_delete_file("sandbox.zip") safe_delete_file(self.package_info.package_path) def retrieve_sandbox_from_git_repository(self): progress("Retrieving sandbox from Git repository") old_path = pushd(os.path.join(self.settings.appleseed_path, "sandbox")) self.run("git archive --format=zip --output=" + os.path.join(old_path, "sandbox.zip") + " --worktree-attributes HEAD") os.chdir(old_path) def deploy_sandbox_to_stage(self): progress("Deploying sandbox to staging directory") extract_zip_file("sandbox.zip", "appleseed/") safe_delete_file("sandbox.zip") def cleanup_stage(self): progress("Cleaning up staging directory") # Remove API reference documentation. safe_delete_directory("appleseed/documentation/apireference") # Remove the test suite. safe_delete_directory("appleseed/tests/test scenes") # Remove voluminous unit tests/benchmarks data. safe_delete_file("appleseed/tests/unit benchmarks/inputs/test_knn_particles.bin") safe_delete_file("appleseed/tests/unit benchmarks/inputs/test_knn_photons.bin") # Remove the devkit which we ship separately. safe_delete_directory("appleseed/extras/devkit") def add_local_binaries_to_stage(self): progress("Adding local binaries to staging directory") safe_make_directory("appleseed/bin") dir_util.copy_tree(os.path.join(self.settings.appleseed_path, "sandbox/bin", self.settings.configuration), "appleseed/bin/") shutil.copy(os.path.join(self.settings.appleseed_path, "sandbox/bin", exe("maketx")), "appleseed/bin/") shutil.copy(os.path.join(self.settings.appleseed_path, "sandbox/bin", exe("oslc")), "appleseed/bin/") shutil.copy(os.path.join(self.settings.appleseed_path, "sandbox/bin", exe("oslinfo")), "appleseed/bin/") def add_local_libraries_to_stage(self): progress("Adding local libraries to staging directory") safe_make_directory("appleseed/lib") dir_util.copy_tree(os.path.join(self.settings.appleseed_path, "sandbox/lib", self.settings.configuration), "appleseed/lib/") # # This method is used by the Mac and Linux package builders. # It requires the following members to be defined: # # self.shared_lib_ext # self.get_dependencies_for_file() # def add_unix_dependencies_to_stage(self): # Get shared libs needed by binaries. bin_libs = set() for dirpath, dirnames, filenames in os.walk("appleseed/bin"): for filename in filenames: ext = os.path.splitext(filename)[1] if ext != ".py" and ext != ".conf": libs = self.get_dependencies_for_file(os.path.join("appleseed/bin", filename)) bin_libs = bin_libs.union(libs) # Get shared libs needed by appleseed.python. for dirpath, dirnames, filenames in os.walk("appleseed/lib"): appleseedpython_shared_lib = "_appleseedpython" + self.shared_lib_ext if appleseedpython_shared_lib in filenames: libs = self.get_dependencies_for_file(os.path.join(dirpath, appleseedpython_shared_lib)) bin_libs = bin_libs.union(libs) # Get shared libs needed by libraries. lib_libs = set() for lib in bin_libs: libs = self.get_dependencies_for_file(lib) lib_libs = lib_libs.union(libs) all_libs = bin_libs.union(lib_libs) if False: # Print dependencies. info(" Dependencies:") for lib in all_libs: info(" " + lib) # Copy needed libs to lib directory. dest_dir = os.path.join("appleseed", "lib/") for lib in all_libs: # The library might already exist, but without writing rights. lib_name = os.path.basename(lib) dest_path = os.path.join(dest_dir, lib_name) if not os.path.exists(dest_path): progress(" Copying {0} to {1}".format(lib, dest_dir)) shutil.copy(lib, dest_dir) make_writable(dest_path) def add_headers_to_stage(self): progress("Adding headers to staging directory") # appleseed headers. safe_make_directory("appleseed/include") ignore_files = shutil.ignore_patterns("*.cpp", "*.c", "*.xsd", "snprintf", "version.h.in") shutil.copytree(os.path.join(self.settings.appleseed_headers_path, "foundation"), "appleseed/include/foundation", ignore=ignore_files) shutil.copytree(os.path.join(self.settings.appleseed_headers_path, "main"), "appleseed/include/main", ignore=ignore_files) shutil.copytree(os.path.join(self.settings.appleseed_headers_path, "renderer"), "appleseed/include/renderer", ignore=ignore_files) def add_shaders_to_stage(self): progress("Adding shaders to staging directory") shutil.rmtree("appleseed/shaders") shutil.copytree(os.path.join(self.settings.appleseed_path, "sandbox/shaders"), "appleseed/shaders") def add_scripts_to_stage(self): progress("Adding scripts to staging directory") shutil.copy("convertmany.py", "appleseed/bin/") shutil.copy("rendermany.py", "appleseed/bin/") shutil.copy("updatemany.py", "appleseed/bin/") shutil.copy("rendernode.py", "appleseed/bin/") shutil.copy("rendermanager.py", "appleseed/bin/") shutil.copy("mitsuba2appleseed.py", "appleseed/bin/") def add_local_schema_files_to_stage(self): progress("Adding local schema files to staging directory") safe_make_directory("appleseed/schemas") copy_glob(os.path.join(self.settings.appleseed_path, "sandbox/schemas/*.xsd"), "appleseed/schemas/") def add_text_files_to_stage(self): progress("Adding LICENSE.txt and README.md files") shutil.copy(os.path.join(self.settings.appleseed_path, "LICENSE.txt"), "appleseed/") shutil.copy(os.path.join(self.settings.appleseed_path, "README.md"), "appleseed/") def add_dummy_files_into_empty_directories(self): progress("Adding dummy files to preserve empty directories") for dirpath, dirnames, filenames in os.walk("."): if len(dirnames) == 0 and len(filenames) == 0: self.create_preserve_file(dirpath) def disable_system_qt_plugins(self): progress("Disabling system's Qt plugins") with open("appleseed/bin/qt.conf", "w") as f: pass def create_preserve_file(self, path): with open(os.path.join(path, "preserve.txt"), "w") as f: f.write("This file allows to preserve this otherwise empty directory.\n") # This method is overridden in the platform-specific builders below. def alter_stage(self): return def build_final_zip_file(self): progress("Building final zip file from staging directory") package_base_path = os.path.splitext(self.package_info.package_path)[0] archive_util.make_zipfile(package_base_path, "appleseed") def remove_stage(self): progress("Deleting staging directory...") safe_delete_directory("appleseed") def run(self, cmdline): info("Running command line: {0}".format(cmdline)) os.system(cmdline) def run_subprocess(self, cmdline): p = subprocess.Popen(cmdline, stdout=subprocess.PIPE, stderr=subprocess.PIPE) out, err = p.communicate() return p.returncode, out, err #-------------------------------------------------------------------------------------------------- # Windows package builder. #-------------------------------------------------------------------------------------------------- class WindowsPackageBuilder(PackageBuilder): def alter_stage(self): self.add_dependencies_to_stage() def add_dependencies_to_stage(self): progress("Windows-specific: Adding dependencies to staging directory") self.copy_qt_framework("QtCore") self.copy_qt_framework("QtGui") copy_glob(os.path.join(self.settings.platform_runtime_path, "*"), "appleseed/bin/") def copy_qt_framework(self, framework_name): src_filepath = os.path.join(self.settings.qt_runtime_path, framework_name + "4" + ".dll") dst_path = os.path.join("appleseed", "bin") shutil.copy(src_filepath, dst_path) #-------------------------------------------------------------------------------------------------- # Mac package builder. #-------------------------------------------------------------------------------------------------- class MacPackageBuilder(PackageBuilder): def __init__(self, settings, package_info): PackageBuilder.__init__(self, settings, package_info) self.shared_lib_ext = ".dylib" self.system_libs_prefixes = ["/System/Library/", "/usr/lib/libcurl", "/usr/lib/libc++", "/usr/lib/libbz2", "/usr/lib/libSystem", "usr/lib/libz", "/usr/lib/libncurses"] def alter_stage(self): safe_delete_file("appleseed/bin/.DS_Store") self.add_dependencies_to_stage() self.fixup_binaries() self.create_qt_conf_file() os.rename("appleseed/bin/appleseed.studio", "appleseed/bin/appleseed-studio") def add_dependencies_to_stage(self): progress("Mac-specific: Adding dependencies to staging directory") self.add_unix_dependencies_to_stage() self.copy_qt_framework("QtCore") self.copy_qt_framework("QtGui") self.copy_qt_resources("QtGui") self.copy_qt_framework("QtOpenGL") def copy_qt_framework(self, framework_name): framework_dir = framework_name + ".framework" src_filepath = os.path.join(self.settings.qt_runtime_path, framework_dir, "Versions", "4", framework_name) dest_path = os.path.join("appleseed", "lib", framework_dir, "Versions", "4") safe_make_directory(dest_path) shutil.copy(src_filepath, dest_path) make_writable(os.path.join(dest_path, framework_name)) def copy_qt_resources(self, framework_name): framework_dir = framework_name + ".framework" src_path = os.path.join(self.settings.qt_runtime_path, framework_dir, "Versions", "4", "Resources") dest_path = os.path.join("appleseed", "lib", framework_dir, "Resources") shutil.copytree(src_path, dest_path) def fixup_binaries(self): progress("Mac-specific: Fixing up binaries") self.set_libraries_ids() self.set_qt_framework_ids() self.change_library_paths_in_libraries() self.change_library_paths_in_executables() self.change_qt_framework_paths_in_qt_frameworks() def set_libraries_ids(self): for dirpath, dirnames, filenames in os.walk("appleseed/lib"): for filename in filenames: if os.path.splitext(filename)[1] == ".dylib": lib_path = os.path.join(dirpath, filename) self.set_library_id(lib_path, filename) def set_qt_framework_ids(self): self.set_library_id("appleseed/lib/QtCore.framework/Versions/4/QtCore", "QtCore.framework/Versions/4/QtCore") self.set_library_id("appleseed/lib/QtGui.framework/Versions/4/QtGui", "QtGui.framework/Versions/4/QtGui") self.set_library_id("appleseed/lib/QtOpenGL.framework/Versions/4/QtOpenGL", "QtOpenGL.framework/Versions/4/QtOpenGL") def change_library_paths_in_libraries(self): for dirpath, dirnames, filenames in os.walk("appleseed/lib"): for filename in filenames: if os.path.splitext(filename)[1] == ".dylib": lib_path = os.path.join(dirpath, filename) self.change_library_paths_in_binary(lib_path) self.change_qt_framework_paths_in_binary(lib_path) def change_library_paths_in_executables(self): for dirpath, dirnames, filenames in os.walk("appleseed/bin"): for filename in filenames: ext = os.path.splitext(filename)[1] if ext != ".py" and ext != ".conf": exe_path = os.path.join(dirpath, filename) self.change_library_paths_in_binary(exe_path) self.change_qt_framework_paths_in_binary(exe_path) # Can be used on executables and dynamic libraries. def change_library_paths_in_binary(self, bin_path): for lib_path in self.get_dependencies_for_file(bin_path, fix_paths=False): lib_name = os.path.basename(lib_path) self.change_library_path(bin_path, lib_path, "@executable_path/../lib/" + lib_name) # Can be used on executables and dynamic libraries. def change_qt_framework_paths_in_binary(self, bin_path): for fwk_path in self.get_qt_frameworks_for_file(bin_path): fwk_name = re.search(r"(Qt.*)\.framework", fwk_path).group(1) self.change_library_path(bin_path, fwk_path, "@executable_path/../lib/{0}.framework/Versions/4/{0}".format(fwk_name)) def change_qt_framework_paths_in_qt_frameworks(self): self.change_qt_framework_paths_in_binary("appleseed/lib/QtCore.framework/Versions/4/QtCore") self.change_qt_framework_paths_in_binary("appleseed/lib/QtGui.framework/Versions/4/QtGui") self.change_qt_framework_paths_in_binary("appleseed/lib/QtOpenGL.framework/Versions/4/QtOpenGL") def set_library_id(self, target, name): self.run('install_name_tool -id "{0}" {1}'.format(name, target)) def change_library_path(self, target, old, new): self.run('install_name_tool -change "{0}" "{1}" {2}'.format(old, new, target)) def get_dependencies_for_file(self, filename, fix_paths=True): returncode, out, err = self.run_subprocess(["otool", "-L", filename]) if returncode != 0: fatal("Failed to invoke otool(1) to get dependencies for {0}: {1}".format(filename, err)) libs = set() for line in out.split("\n")[1:]: # skip the first line line = line.strip() # Ignore empty lines. if len(line) == 0: continue # Parse the line. m = re.match(r"(.*) \(compatibility version .*, current version .*\)", line) if not m: fatal("Failed to parse line from otool(1) output: " + line) lib = m.group(1) # Ignore libs relative to @loader_path. if "@loader_path" in lib: continue # Ignore system libs. if self.is_system_lib(lib): continue # Ignore Qt frameworks. if re.search(r"Qt.*\.framework", lib): continue if fix_paths: # Optionally search for libraries in other places. if not os.path.exists(lib): candidate = os.path.join("/usr/local/lib/", lib) if os.path.exists(candidate): lib = candidate libs.add(lib) return libs def get_qt_frameworks_for_file(self, filename, fix_paths=True): returncode, out, err = self.run_subprocess(["otool", "-L", filename]) if returncode != 0: fatal("Failed to invoke otool(1) to get dependencies for {0}: {1}".format(filename, err)) libs = set() for line in out.split("\n")[1:]: # skip the first line line = line.strip() # Ignore empty lines. if len(line) == 0: continue # Parse the line. m = re.match(r"(.*) \(compatibility version .*, current version .*\)", line) if not m: fatal("Failed to parse line from otool(1) output: " + line) lib = m.group(1) if re.search(r"Qt.*\.framework", lib): libs.add(lib) return libs def is_system_lib(self, lib): for prefix in self.system_libs_prefixes: if lib.startswith(prefix): return True return False def create_qt_conf_file(self): safe_make_directory("appleseed/bin/Contents/Resources") open("appleseed/bin/Contents/Resources/qt.conf", "w").close() #-------------------------------------------------------------------------------------------------- # Linux package builder. #-------------------------------------------------------------------------------------------------- class LinuxPackageBuilder(PackageBuilder): def __init__(self, settings, package_info): PackageBuilder.__init__(self, settings, package_info) self.shared_lib_ext = ".so" self.system_libs_prefixes = ["linux", "librt", "libpthread", "libGL", "libX", "libselinux", "libICE", "libSM", "libdl", "libm.so", "libgcc", "libc.so", "/lib64/ld-linux-", "libstdc++", "libxcb", "libdrm", "libnsl", "libuuid", "libgthread", "libglib", "libgobject", "libglapi", "libffi", "libfontconfig", "libutil", "libpython", "libxshmfence.so"] def alter_stage(self): self.make_executable(os.path.join("appleseed/bin", "maketx")) self.make_executable(os.path.join("appleseed/bin", "oslc")) self.make_executable(os.path.join("appleseed/bin", "oslinfo")) self.add_dependencies_to_stage() self.set_runtime_paths_on_binaries() self.clear_runtime_paths_on_libraries() def make_executable(self, filepath): mode = os.stat(filepath)[ST_MODE] mode |= S_IXUSR | S_IXGRP | S_IXOTH os.chmod(filepath, mode) def add_dependencies_to_stage(self): progress("Linux-specific: Adding dependencies to staging directory") self.add_unix_dependencies_to_stage() def set_runtime_paths_on_binaries(self): progress("Linux-specific: Setting runtime paths on binaries") for dirpath, dirnames, filenames in os.walk("appleseed/bin"): for filename in filenames: ext = os.path.splitext(filename)[1] if ext != ".py" and ext != ".conf": self.run("chrpath -r \$ORIGIN/../lib " + os.path.join("appleseed/bin", filename)) def clear_runtime_paths_on_libraries(self): progress("Linux-specific: Clearing runtime paths on libraries") for dirpath, dirnames, filenames in os.walk("appleseed/lib"): for filename in filenames: if os.path.splitext(filename)[1] == ".so": self.run("chrpath -d " + os.path.join(dirpath, filename)) def get_dependencies_for_file(self, filename): returncode, out, err = self.run_subprocess(["ldd", filename]) if returncode != 0: fatal("Failed to invoke ldd(1) to get dependencies for {0}: {1}".format(filename, err)) libs = set() for line in out.split("\n"): line = line.strip() # Ignore empty lines. if len(line) == 0: continue # Ignore system libs. if self.is_system_lib(line): continue libs.add(line.split()[2]) return libs def is_system_lib(self, lib): for prefix in self.system_libs_prefixes: if lib.startswith(prefix): return True return False #-------------------------------------------------------------------------------------------------- # Entry point. #-------------------------------------------------------------------------------------------------- def main(): print("appleseed.package version " + VERSION) print("") settings = Settings() package_info = PackageInfo(settings) settings.load() package_info.load() if os.name == "nt": package_builder = WindowsPackageBuilder(settings, package_info) elif os.name == "posix" and platform.mac_ver()[0] != "": package_builder = MacPackageBuilder(settings, package_info) elif os.name == "posix" and platform.mac_ver()[0] == "": package_builder = LinuxPackageBuilder(settings, package_info) else: fatal("Unsupported platform: " + os.name) package_builder.build_package() if __name__ == '__main__': main()
aiivashchenko/appleseed
scripts/appleseed.package.py
Python
mit
28,765
[ "VisIt" ]
8f3f657ed74a636185abf348ade768d297d82c50c44d21cc92f04dd12ab43319
from flatdict import FlatDict from openpnm.io import Dict, GenericIO from openpnm.utils import logging logger = logging.getLogger(__name__) class HDF5(GenericIO): r""" The HDF5 (Hierarchical Data Format) file is good for high-peformance, long term data storage """ @classmethod def export_data(cls, network=None, phases=[], element=['pore', 'throat'], filename='', interleave=True, flatten=False, categorize_by=[]): r""" Creates an HDF5 file containing data from the specified objects, and categorized according to the given arguments. Parameters ---------- network : GenericNetwork The network containing the desired data phases : list[GenericPhase]s (optional, default is none) A list of phase objects whose data are to be included element : str or list[str] An indication of whether 'pore' and/or 'throat' data are desired. The default is both. interleave : bool (default is ``True``) When ``True`` (default) the data from all Geometry objects (and Physics objects if ``phases`` are given) is interleaved into a single array and stored as a network property (or Phase property for Physics data). When ``False``, the data for each object are stored under their own dictionary key, the structuring of which depends on the value of the ``flatten`` argument. flatten : bool (default is ``True``) When ``True``, all objects are accessible from the top level of the dictionary. When ``False`` objects are nested under their parent object. If ``interleave`` is ``True`` this argument is ignored. categorize_by : str or list[str] Indicates how the dictionaries should be organized. The list can contain any, all or none of the following strings: **'objects'** : If specified the dictionary keys will be stored under a general level corresponding to their type (e.g. 'network/net_01/pore.all'). If ``interleave`` is ``True`` then only the only categories are *network* and *phase*, since *geometry* and *physics* data get stored under their respective *network* and *phase*. **'data'** : If specified the data arrays are additionally categorized by ``label`` and ``property`` to separate *boolean* from *numeric* data. **'elements'** : If specified the data arrays are additionally categorized by ``pore`` and ``throat``, meaning that the propnames are no longer prepended by a 'pore.' or 'throat.' """ from h5py import File as hdfFile project, network, phases = cls._parse_args(network=network, phases=phases) if filename == '': filename = project.name filename = cls._parse_filename(filename, ext='hdf') dct = Dict.to_dict(network=network, phases=phases, element=element, interleave=interleave, flatten=flatten, categorize_by=categorize_by) d = FlatDict(dct, delimiter='/') f = hdfFile(filename, "w") for item in d.keys(): tempname = '_'.join(item.split('.')) arr = d[item] if d[item].dtype == 'O': logger.warning(item + ' has dtype object, will not write to file') del d[item] elif 'U' in str(arr[0].dtype): pass else: f.create_dataset(name='/'+tempname, shape=arr.shape, dtype=arr.dtype, data=arr) return f def print_hdf5(f, flat=False): r""" Given an hdf5 file handle, prints to console in a human readable manner Parameters ---------- f : file handle The hdf5 file to print flat : bool Flag to indicate if print should be nested or flat. The default is ``flat==False`` resulting in a nested view. """ if flat is False: def print_level(f, p='', indent='-'): for item in f.keys(): if hasattr(f[item], 'keys'): p = print_level(f[item], p=p, indent=indent + indent[0]) elif indent[-1] != ' ': indent = indent + '' p = indent + item + '\n' + p return(p) p = print_level(f) print(p) else: f.visit(print) def to_hdf5(network=None, phases=[], element=['pore', 'throat'], filename='', interleave=True, flatten=False, categorize_by=[]): return HDF5.export_data(network=network, phases=phases, element=element, filename=filename, interleave=interleave, flatten=flatten, categorize_by=categorize_by) to_hdf5.__doc__ = HDF5.export_data.__doc__
PMEAL/OpenPNM
openpnm/io/_hdf5.py
Python
mit
5,056
[ "VisIt" ]
9a6cf76d39a2e6c75fd872840a4fd025cf92911c9f6fddbfe9539076b3d179c8
import numpy as np from galaxies import Galaxies from galaxy_meta import GalaxyMeta import matplotlib.pyplot as plt class GalaxyTester(): def __init__(self, data, model): self.data = data self.model = model self.galaxies = Galaxies() self.test_ids = self.galaxies.get_flattened_test_ids() self.meta = GalaxyMeta() def test(self): num_test = self.data.y_test.size num_test_classes = np.unique(self.data.y_test).size num_train_classes = np.unique(self.data.y).size self.p, self.var = self.model.predict_y(self.data.x_test[:num_test]) self.Y_guess = np.argmax(self.p, axis=1) # self.all_guesses = np.zeros(num_test_classes, dtype=np.int32) # self.wrong_guesses = np.zeros(num_test_classes, dtype=np.int32) # self.almost_correct = np.zeros(num_test_classes, dtype=np.int32) # self.almost_wrong = np.zeros(num_test_classes, dtype=np.int32) # self.unique_y = np.sort(np.unique(self.data.y)) self.idx = [ [[],[]], [[],[]], [[],[]] ] self.prob = [ [[],[]], [[],[]], [[],[]] ] self.variances = [ [[],[]], [[],[]], [[],[]] ] self.objid = [ [[],[]], [[],[]], [[],[]] ] self.cs = [ [[],[]], [[],[]], [[],[]] ] self.el = [ [[],[]], [[],[]], [[],[]] ] self.nvote = [ [[],[]], [[],[]], [[],[]] ] self.edge = [ [[],[]], [[],[]], [[],[]] ] self.disk = [ [[],[]], [[],[]], [[],[]] ] self.merge = [ [[],[]], [[],[]], [[],[]] ] self.acw = [ [[],[]], [[],[]], [[],[]] ] for real in range(0, num_test_classes): real_idx = self.data.y_test == real for guess in range(0, num_train_classes): guess_idx = self.Y_guess == guess self.idx[real][guess] = real_idx & guess_idx self.prob[real][guess] = self.p[self.idx[real][guess],:] self.variances[real][guess] = self.var[self.idx[real][guess],:] self.objid[real][guess] = self.test_ids[self.idx[real][guess]] for objid in self.objid[real][guess]: spiral, elliptical, unc, n, ra, dec, cs, el, merge, edge, acw, cw, disk = self.meta.find_by_id(objid, real) self.cs[real][guess].append(cs) self.el[real][guess].append(el) self.nvote[real][guess].append(n) self.edge[real][guess].append(edge) self.disk[real][guess].append(disk) self.merge[real][guess].append(merge) self.acw[real][guess].append(acw) print('For real: {} guess: {} ({} images):'.format( real, guess, len(self.nvote[real][guess]) )) print('\tprob 0: {} ({})'.format( np.average(self.prob[real][guess][:,0]), np.std(self.prob[real][guess][:,0]) )) print('\tprob 1: {} ({})'.format( np.average(self.prob[real][guess][:,1]), np.std(self.prob[real][guess][:,1]) )) print('\tnvotes: {} ({})'.format( np.average(self.nvote[real][guess]), np.std(self.nvote[real][guess]) )) print('\tcs: {} ({})'.format( np.average(self.cs[real][guess]), np.std(self.cs[real][guess]) )) print('\tel: {} ({})'.format( np.average(self.el[real][guess]), np.std(self.el[real][guess]) )) print('\tspiral: {} ({})'.format( np.average(self.spiral[real][guess]), np.std(self.spiral[real][guess]) )) print('\telliptical: {} ({})'.format( np.average(self.elliptical[real][guess]), np.std(self.elliptical[real][guess]) )) print('\tedge: {} ({})'.format( np.average(self.edge[real][guess]), np.std(self.edge[real][guess]) )) print('\tdisk: {} ({})'.format( np.average(self.disk[real][guess]), np.std(self.disk[real][guess]) )) print('\tmerge: {} ({})'.format( np.average(self.merge[real][guess]), np.std(self.merge[real][guess]) )) print('\tacw: {} ({})'.format( np.average(self.acw[real][guess]), np.std(self.acw[real][guess]) )) labels = {0: 'Spiral', 1:'Elliptical', 2:'Uncertain'} real = 0 not_real = 1 probs = 0 votes = self.cs plt.errorbar(self.prob[real][real][:,probs].flatten()*100, np.reshape(votes[real][real], len(votes[real][real]))*100, xerr=self.variances[real][real][:,probs].flatten()*100, errorevery=10, fmt='.', label=labels[real]) plt.errorbar(self.prob[real][not_real][:,probs].flatten()*100, np.reshape(votes[real][not_real], len(votes[real][not_real]))*100, xerr=self.variances[real][not_real][:,probs].flatten()*100, errorevery=10, fmt='.', label=labels[not_real]) plt.title('Comparison of GP Model Classification Probability'+ '\nWith with Galaxy Zoo Votes for ' + labels[real] + ' Galaxies') plt.xlabel('GP Model ' + labels[probs] + ' Probability (%)') plt.ylabel('Galaxy Zoo ' + labels[real] + ' Votes (%)') fig = plt.gcf() fig.savefig(labels[real] + '-' + labels[probs]+'.eps') plt.legend(loc='lower right') plt.show() # plt.plot(self.prob[0][0][:,1].flatten()*100, np.reshape(self.el[0][0], len(self.el[0][0]))*100, '.', label='Spiral') # plt.plot(self.prob[0][1][:,1].flatten()*100, np.reshape(self.el[0][1], len(self.el[0][1]))*100, '.', label='Elliptical') # plt.title('Comparison of GP Model Classification Probability'+ # '\nWith with Galaxy Zoo Votes for Elliptical Galaxies') # plt.xlabel('GP Model Elliptical Probability (%)') # plt.ylabel('Galaxy Zoo Elliptical Votes (%)') # fig = plt.gcf() # fig.savefig('spiral-elliptical.eps') # plt.legend() # plt.show() # plt.plot(self.prob[1][0][:,0].flatten()*100, np.reshape(self.cs[1][0], len(self.cs[1][0]))*100, '.', label='Spiral') # plt.plot(self.prob[1][1][:,0].flatten()*100, np.reshape(self.cs[1][1], len(self.cs[1][1]))*100, '.', label='Elliptical') # plt.title('Comparison of GP Model Classification Probability'+ # '\nWith with Galaxy Zoo Votes for Spiral Galaxies') # plt.xlabel('GP Model Spiral Probability (%)') # plt.ylabel('Galaxy Zoo Spiral Votes (%)') # fig = plt.gcf() # fig.savefig('elliptical-spiral.eps') # plt.legend() # plt.show() real = 1 not_real = 0 probs = 1 votes = self.el plt.errorbar(self.prob[real][real][:,probs].flatten()*100, np.reshape(votes[real][real], len(votes[real][real]))*100, xerr=self.variances[real][real][:,probs].flatten()*100, errorevery=10, fmt='.', label=labels[real]) plt.errorbar(self.prob[real][not_real][:,probs].flatten()*100, np.reshape(votes[real][not_real], len(votes[real][not_real]))*100, xerr=self.variances[real][not_real][:,probs].flatten()*100, errorevery=10, fmt='.', label=labels[not_real]) plt.title('Comparison of GP Model Classification Probability'+ '\nWith with Galaxy Zoo Votes for ' + labels[real] + ' Galaxies') plt.xlabel('GP Model ' + labels[probs] + ' Probability (%)') plt.ylabel('Galaxy Zoo ' + labels[real] + ' Votes (%)') fig = plt.gcf() fig.savefig(labels[real] + '-' + labels[probs]+'.eps') plt.legend(loc='lower right') plt.show() real = 2 not_probs = 0 probs = 1 votes = self.el plt.errorbar(self.prob[real][probs][:,probs].flatten()*100, np.reshape(votes[real][probs], len(votes[real][probs]))*100, xerr=self.variances[real][probs][:,probs].flatten()*100, errorevery=10, fmt='.', label=labels[real]) plt.errorbar(self.prob[real][not_probs][:,probs].flatten()*100, np.reshape(votes[real][not_probs], len(votes[real][not_probs]))*100, xerr=self.variances[real][not_probs][:,probs].flatten()*100, errorevery=10, fmt='.', label=labels[not_probs]) plt.title('Comparison of GP Model Classification Probability'+ '\nWith with Galaxy Zoo Votes for ' + labels[real] + ' Galaxies') plt.xlabel('GP Model ' + labels[probs] + ' Probability (%)') plt.ylabel('Galaxy Zoo ' + labels[real] + ' Votes (%)') fig = plt.gcf() fig.savefig(labels[real] + '-' + labels[probs]+'.eps') plt.legend(loc='lower right') plt.show() # def plot_ratios(real, numerator, title): # labels = {0: 'Spiral', 1:'Elliptical', 2:'Uncertain'} # denom = 0 # if (numerator == 0): # denom = 1 # plt.plot(self.prob[real][real]/self.prob[real][])
MorganR/gaussian-processes
galaxy_tester.py
Python
mit
10,084
[ "Galaxy" ]
0e943c9cbe62bac3981ca55f789a2c6070f7b78734e84cea84fefd21fc1538ea
#!/usr/bin/env python # Copyright 2014-2019 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. # # Author: Qiming Sun <osirpt.sun@gmail.com> # ''' Full CI solver for spin-free Hamiltonian. This solver can be used to compute doublet, triplet,... The CI wfn are stored as a 2D array [alpha,beta], where each row corresponds to an alpha string. For each row (alpha string), there are total-num-beta-strings of columns. Each column corresponds to a beta string. Different FCI solvers are implemented to support different type of symmetry. Symmetry File Point group Spin singlet Real hermitian* Alpha/beta degeneracy direct_spin0_symm Yes Yes Yes Yes direct_spin1_symm Yes No Yes Yes direct_spin0 No Yes Yes Yes direct_spin1 No No Yes Yes direct_uhf No No Yes No direct_nosym No No No** Yes * Real hermitian Hamiltonian implies (ij|kl) = (ji|kl) = (ij|lk) = (ji|lk) ** Hamiltonian is real but not hermitian, (ij|kl) != (ji|kl) ... ''' import sys import ctypes import numpy import scipy.linalg from pyscf import lib from pyscf import ao2mo from pyscf.lib import logger from pyscf.fci import cistring from pyscf.fci import rdm from pyscf.fci import spin_op from pyscf.fci import addons from pyscf.fci.spin_op import contract_ss from pyscf.fci.addons import _unpack_nelec from pyscf import __config__ libfci = lib.load_library('libfci') def contract_1e(f1e, fcivec, norb, nelec, link_index=None): '''Contract the 1-electron Hamiltonian with a FCI vector to get a new FCI vector. ''' fcivec = numpy.asarray(fcivec, order='C') link_indexa, link_indexb = _unpack(norb, nelec, link_index) na, nlinka = link_indexa.shape[:2] nb, nlinkb = link_indexb.shape[:2] assert(fcivec.size == na*nb) f1e_tril = lib.pack_tril(f1e) ci1 = numpy.zeros_like(fcivec) libfci.FCIcontract_a_1e(f1e_tril.ctypes.data_as(ctypes.c_void_p), fcivec.ctypes.data_as(ctypes.c_void_p), ci1.ctypes.data_as(ctypes.c_void_p), ctypes.c_int(norb), ctypes.c_int(na), ctypes.c_int(nb), ctypes.c_int(nlinka), ctypes.c_int(nlinkb), link_indexa.ctypes.data_as(ctypes.c_void_p), link_indexb.ctypes.data_as(ctypes.c_void_p)) libfci.FCIcontract_b_1e(f1e_tril.ctypes.data_as(ctypes.c_void_p), fcivec.ctypes.data_as(ctypes.c_void_p), ci1.ctypes.data_as(ctypes.c_void_p), ctypes.c_int(norb), ctypes.c_int(na), ctypes.c_int(nb), ctypes.c_int(nlinka), ctypes.c_int(nlinkb), link_indexa.ctypes.data_as(ctypes.c_void_p), link_indexb.ctypes.data_as(ctypes.c_void_p)) return ci1 def contract_2e(eri, fcivec, norb, nelec, link_index=None): r'''Contract the 4-index tensor eri[pqrs] with a FCI vector .. math:: |output\rangle = E_{pq} E_{rs} eri_{pq,rs} |CI\rangle \\ E_{pq}E_{rs} = E_{pr,qs} + \delta_{qr} E_{ps} \\ E_{pq} = p^+ q + \bar{p}^+ \bar{q} E_{pr,qs} = p^+ r^+ s q + \bar{p}^+ r^+ s \bar{q} + ... :math:`p,q,...` means spin-up orbitals and :math:`\bar{p}, \bar{q}` means spin-down orbitals. Note the input argument eri is NOT the 2e hamiltonian tensor. 2e hamiltonian is .. math:: h2e &= (pq|rs) E_{pr,qs} \\ &= (pq|rs) (E_{pq}E_{rs} - \delta_{qr} E_{ps}) \\ &= eri_{pq,rs} E_{pq}E_{rs} \\ So the relation between eri and hamiltonian (the 2e-integral tensor) is .. math:: eri_{pq,rs} = (pq|rs) - (1/Nelec) \sum_q (pq|qs) to restore the symmetry between pq and rs, .. math:: eri_{pq,rs} = (pq|rs) - (.5/Nelec) [\sum_q (pq|qs) + \sum_p (pq|rp)] See also :func:`direct_spin1.absorb_h1e` ''' fcivec = numpy.asarray(fcivec, order='C') eri = ao2mo.restore(4, eri, norb) link_indexa, link_indexb = _unpack(norb, nelec, link_index) na, nlinka = link_indexa.shape[:2] nb, nlinkb = link_indexb.shape[:2] assert(fcivec.size == na*nb) ci1 = numpy.empty_like(fcivec) libfci.FCIcontract_2e_spin1(eri.ctypes.data_as(ctypes.c_void_p), fcivec.ctypes.data_as(ctypes.c_void_p), ci1.ctypes.data_as(ctypes.c_void_p), ctypes.c_int(norb), ctypes.c_int(na), ctypes.c_int(nb), ctypes.c_int(nlinka), ctypes.c_int(nlinkb), link_indexa.ctypes.data_as(ctypes.c_void_p), link_indexb.ctypes.data_as(ctypes.c_void_p)) return ci1 def make_hdiag(h1e, eri, norb, nelec): '''Diagonal Hamiltonian for Davidson preconditioner ''' neleca, nelecb = _unpack_nelec(nelec) h1e = numpy.asarray(h1e, order='C') eri = ao2mo.restore(1, eri, norb) occslsta = occslstb = cistring._gen_occslst(range(norb), neleca) if neleca != nelecb: occslstb = cistring._gen_occslst(range(norb), nelecb) na = len(occslsta) nb = len(occslstb) hdiag = numpy.empty(na*nb) jdiag = numpy.asarray(numpy.einsum('iijj->ij',eri), order='C') kdiag = numpy.asarray(numpy.einsum('ijji->ij',eri), order='C') c_h1e = h1e.ctypes.data_as(ctypes.c_void_p) c_jdiag = jdiag.ctypes.data_as(ctypes.c_void_p) c_kdiag = kdiag.ctypes.data_as(ctypes.c_void_p) libfci.FCImake_hdiag_uhf(hdiag.ctypes.data_as(ctypes.c_void_p), c_h1e, c_h1e, c_jdiag, c_jdiag, c_jdiag, c_kdiag, c_kdiag, ctypes.c_int(norb), ctypes.c_int(na), ctypes.c_int(nb), ctypes.c_int(neleca), ctypes.c_int(nelecb), occslsta.ctypes.data_as(ctypes.c_void_p), occslstb.ctypes.data_as(ctypes.c_void_p)) return hdiag def absorb_h1e(h1e, eri, norb, nelec, fac=1): '''Modify 2e Hamiltonian to include 1e Hamiltonian contribution. ''' if not isinstance(nelec, (int, numpy.number)): nelec = sum(nelec) h2e = ao2mo.restore(1, eri.copy(), norb) f1e = h1e - numpy.einsum('jiik->jk', h2e) * .5 f1e = f1e * (1./(nelec+1e-100)) for k in range(norb): h2e[k,k,:,:] += f1e h2e[:,:,k,k] += f1e return ao2mo.restore(4, h2e, norb) * fac def pspace(h1e, eri, norb, nelec, hdiag=None, np=400): '''pspace Hamiltonian to improve Davidson preconditioner. See, CPL, 169, 463 ''' if norb > 63: raise NotImplementedError('norb > 63') neleca, nelecb = _unpack_nelec(nelec) h1e = numpy.ascontiguousarray(h1e) eri = ao2mo.restore(1, eri, norb) nb = cistring.num_strings(norb, nelecb) if hdiag is None: hdiag = make_hdiag(h1e, eri, norb, nelec) if hdiag.size < np: addr = numpy.arange(hdiag.size) else: try: addr = numpy.argpartition(hdiag, np-1)[:np].copy() except AttributeError: addr = numpy.argsort(hdiag)[:np].copy() addra, addrb = divmod(addr, nb) stra = cistring.addrs2str(norb, neleca, addra) strb = cistring.addrs2str(norb, nelecb, addrb) np = len(addr) h0 = numpy.zeros((np,np)) libfci.FCIpspace_h0tril(h0.ctypes.data_as(ctypes.c_void_p), h1e.ctypes.data_as(ctypes.c_void_p), eri.ctypes.data_as(ctypes.c_void_p), stra.ctypes.data_as(ctypes.c_void_p), strb.ctypes.data_as(ctypes.c_void_p), ctypes.c_int(norb), ctypes.c_int(np)) HERMITIAN_THRESHOLD = 1e-10 if (abs(h1e - h1e.T).max() < HERMITIAN_THRESHOLD and abs(eri - eri.transpose(1,0,3,2)).max() < HERMITIAN_THRESHOLD): # symmetric Hamiltonian h0 = lib.hermi_triu(h0) else: # Fill the upper triangular part h0 = numpy.asarray(h0, order='F') h1e = numpy.asarray(h1e.T, order='C') eri = numpy.asarray(eri.transpose(1,0,3,2), order='C') libfci.FCIpspace_h0tril(h0.ctypes.data_as(ctypes.c_void_p), h1e.ctypes.data_as(ctypes.c_void_p), eri.ctypes.data_as(ctypes.c_void_p), stra.ctypes.data_as(ctypes.c_void_p), strb.ctypes.data_as(ctypes.c_void_p), ctypes.c_int(norb), ctypes.c_int(np)) idx = numpy.arange(np) h0[idx,idx] = hdiag[addr] return addr, h0 # be careful with single determinant initial guess. It may diverge the # preconditioner when the eigvalue of first davidson iter equals to hdiag def kernel(h1e, eri, norb, nelec, ci0=None, level_shift=1e-3, tol=1e-10, lindep=1e-14, max_cycle=50, max_space=12, nroots=1, davidson_only=False, pspace_size=400, orbsym=None, wfnsym=None, ecore=0, **kwargs): return _kfactory(FCISolver, h1e, eri, norb, nelec, ci0, level_shift, tol, lindep, max_cycle, max_space, nroots, davidson_only, pspace_size, ecore=ecore, **kwargs) def _kfactory(Solver, h1e, eri, norb, nelec, ci0=None, level_shift=1e-3, tol=1e-10, lindep=1e-14, max_cycle=50, max_space=12, nroots=1, davidson_only=False, pspace_size=400, ecore=0, **kwargs): cis = Solver(None) cis.level_shift = level_shift cis.conv_tol = tol cis.lindep = lindep cis.max_cycle = max_cycle cis.max_space = max_space cis.nroots = nroots cis.davidson_only = davidson_only cis.pspace_size = pspace_size unknown = {} for k in kwargs: if not hasattr(cis, k): unknown[k] = kwargs[k] setattr(cis, k, kwargs[k]) if unknown: sys.stderr.write('Unknown keys %s for FCI kernel %s\n' % (str(unknown.keys()), __name__)) e, c = cis.kernel(h1e, eri, norb, nelec, ci0, ecore=ecore, **unknown) return e, c def energy(h1e, eri, fcivec, norb, nelec, link_index=None): '''Compute the FCI electronic energy for given Hamiltonian and FCI vector. ''' h2e = absorb_h1e(h1e, eri, norb, nelec, .5) ci1 = contract_2e(h2e, fcivec, norb, nelec, link_index) return numpy.dot(fcivec.reshape(-1), ci1.reshape(-1)) def make_rdm1s(fcivec, norb, nelec, link_index=None): '''Spin separated 1-particle density matrices. The return values include two density matrices: (alpha,alpha), (beta,beta) dm1[p,q] = <q^\dagger p> The convention is based on McWeeney's book, Eq (5.4.20). The contraction between 1-particle Hamiltonian and rdm1 is E = einsum('pq,qp', h1, rdm1) ''' if link_index is None: neleca, nelecb = _unpack_nelec(nelec) link_indexa = cistring.gen_linkstr_index(range(norb), neleca) link_indexb = cistring.gen_linkstr_index(range(norb), nelecb) link_index = (link_indexa, link_indexb) rdm1a = rdm.make_rdm1_spin1('FCImake_rdm1a', fcivec, fcivec, norb, nelec, link_index) rdm1b = rdm.make_rdm1_spin1('FCImake_rdm1b', fcivec, fcivec, norb, nelec, link_index) return rdm1a, rdm1b def make_rdm1(fcivec, norb, nelec, link_index=None): '''Spin-traced one-particle density matrix dm1[p,q] = <q_alpha^\dagger p_alpha> + <q_beta^\dagger p_beta> The convention is based on McWeeney's book, Eq (5.4.20) The contraction between 1-particle Hamiltonian and rdm1 is E = einsum('pq,qp', h1, rdm1) ''' rdm1a, rdm1b = make_rdm1s(fcivec, norb, nelec, link_index) return rdm1a + rdm1b def make_rdm12s(fcivec, norb, nelec, link_index=None, reorder=True): r'''Spin separated 1- and 2-particle density matrices. The return values include two lists, a list of 1-particle density matrices and a list of 2-particle density matrices. The density matrices are: (alpha,alpha), (beta,beta) for 1-particle density matrices; (alpha,alpha,alpha,alpha), (alpha,alpha,beta,beta), (beta,beta,beta,beta) for 2-particle density matrices. 1pdm[p,q] = :math:`\langle q^\dagger p\rangle`; 2pdm[p,q,r,s] = :math:`\langle p^\dagger r^\dagger s q\rangle`. Energy should be computed as E = einsum('pq,qp', h1, 1pdm) + 1/2 * einsum('pqrs,pqrs', eri, 2pdm) where h1[p,q] = <p|h|q> and eri[p,q,r,s] = (pq|rs) ''' dm1a, dm2aa = rdm.make_rdm12_spin1('FCIrdm12kern_a', fcivec, fcivec, norb, nelec, link_index, 1) dm1b, dm2bb = rdm.make_rdm12_spin1('FCIrdm12kern_b', fcivec, fcivec, norb, nelec, link_index, 1) _, dm2ab = rdm.make_rdm12_spin1('FCItdm12kern_ab', fcivec, fcivec, norb, nelec, link_index, 0) if reorder: dm1a, dm2aa = rdm.reorder_rdm(dm1a, dm2aa, inplace=True) dm1b, dm2bb = rdm.reorder_rdm(dm1b, dm2bb, inplace=True) return (dm1a, dm1b), (dm2aa, dm2ab, dm2bb) def make_rdm12(fcivec, norb, nelec, link_index=None, reorder=True): r'''Spin traced 1- and 2-particle density matrices. 1pdm[p,q] = :math:`\langle q_\alpha^\dagger p_\alpha \rangle + \langle q_\beta^\dagger p_\beta \rangle`; 2pdm[p,q,r,s] = :math:`\langle p_\alpha^\dagger r_\alpha^\dagger s_\alpha q_\alpha\rangle + \langle p_\beta^\dagger r_\alpha^\dagger s_\alpha q_\beta\rangle + \langle p_\alpha^\dagger r_\beta^\dagger s_\beta q_\alpha\rangle + \langle p_\beta^\dagger r_\beta^\dagger s_\beta q_\beta\rangle`. Energy should be computed as E = einsum('pq,qp', h1, 1pdm) + 1/2 * einsum('pqrs,pqrs', eri, 2pdm) where h1[p,q] = <p|h|q> and eri[p,q,r,s] = (pq|rs) ''' #(dm1a, dm1b), (dm2aa, dm2ab, dm2bb) = \ # make_rdm12s(fcivec, norb, nelec, link_index, reorder) #return dm1a+dm1b, dm2aa+dm2ab+dm2ab.transpose(2,3,0,1)+dm2bb dm1, dm2 = rdm.make_rdm12_spin1('FCIrdm12kern_sf', fcivec, fcivec, norb, nelec, link_index, 1) if reorder: dm1, dm2 = rdm.reorder_rdm(dm1, dm2, inplace=True) return dm1, dm2 def trans_rdm1s(cibra, ciket, norb, nelec, link_index=None): r'''Spin separated transition 1-particle density matrices. The return values include two density matrices: (alpha,alpha), (beta,beta). See also function :func:`make_rdm1s` 1pdm[p,q] = :math:`\langle q^\dagger p \rangle` ''' rdm1a = rdm.make_rdm1_spin1('FCItrans_rdm1a', cibra, ciket, norb, nelec, link_index) rdm1b = rdm.make_rdm1_spin1('FCItrans_rdm1b', cibra, ciket, norb, nelec, link_index) return rdm1a, rdm1b def trans_rdm1(cibra, ciket, norb, nelec, link_index=None): r'''Spin traced transition 1-particle transition density matrices. 1pdm[p,q] = :math:`\langle q_\alpha^\dagger p_\alpha \rangle + \langle q_\beta^\dagger p_\beta \rangle` ''' rdm1a, rdm1b = trans_rdm1s(cibra, ciket, norb, nelec, link_index) return rdm1a + rdm1b def trans_rdm12s(cibra, ciket, norb, nelec, link_index=None, reorder=True): r'''Spin separated 1- and 2-particle transition density matrices. The return values include two lists, a list of 1-particle transition density matrices and a list of 2-particle transition density matrices. The density matrices are: (alpha,alpha), (beta,beta) for 1-particle transition density matrices; (alpha,alpha,alpha,alpha), (alpha,alpha,beta,beta), (beta,beta,alpha,alpha), (beta,beta,beta,beta) for 2-particle transition density matrices. 1pdm[p,q] = :math:`\langle q^\dagger p\rangle`; 2pdm[p,q,r,s] = :math:`\langle p^\dagger r^\dagger s q\rangle`. ''' dm1a, dm2aa = rdm.make_rdm12_spin1('FCItdm12kern_a', cibra, ciket, norb, nelec, link_index, 2) dm1b, dm2bb = rdm.make_rdm12_spin1('FCItdm12kern_b', cibra, ciket, norb, nelec, link_index, 2) _, dm2ab = rdm.make_rdm12_spin1('FCItdm12kern_ab', cibra, ciket, norb, nelec, link_index, 0) _, dm2ba = rdm.make_rdm12_spin1('FCItdm12kern_ab', ciket, cibra, norb, nelec, link_index, 0) dm2ba = dm2ba.transpose(3,2,1,0) if reorder: dm1a, dm2aa = rdm.reorder_rdm(dm1a, dm2aa, inplace=True) dm1b, dm2bb = rdm.reorder_rdm(dm1b, dm2bb, inplace=True) return (dm1a, dm1b), (dm2aa, dm2ab, dm2ba, dm2bb) def trans_rdm12(cibra, ciket, norb, nelec, link_index=None, reorder=True): r'''Spin traced transition 1- and 2-particle transition density matrices. 1pdm[p,q] = :math:`\langle q^\dagger p\rangle`; 2pdm[p,q,r,s] = :math:`\langle p^\dagger r^\dagger s q\rangle`. ''' #(dm1a, dm1b), (dm2aa, dm2ab, dm2ba, dm2bb) = \ # trans_rdm12s(cibra, ciket, norb, nelec, link_index, reorder) #return dm1a+dm1b, dm2aa+dm2ab+dm2ba+dm2bb dm1, dm2 = rdm.make_rdm12_spin1('FCItdm12kern_sf', cibra, ciket, norb, nelec, link_index, 2) if reorder: dm1, dm2 = rdm.reorder_rdm(dm1, dm2, inplace=True) return dm1, dm2 def _get_init_guess(na, nb, nroots, hdiag): '''Initial guess is the single Slater determinant ''' # The "nroots" lowest determinats based on energy expectation value. ci0 = [] try: addrs = numpy.argpartition(hdiag, nroots-1)[:nroots] except AttributeError: addrs = numpy.argsort(hdiag)[:nroots] for addr in addrs: x = numpy.zeros((na*nb)) x[addr] = 1 ci0.append(x.ravel()) # Add noise ci0[0][0 ] += 1e-5 ci0[0][-1] -= 1e-5 return ci0 def get_init_guess(norb, nelec, nroots, hdiag): '''Initial guess is the single Slater determinant ''' neleca, nelecb = _unpack_nelec(nelec) na = cistring.num_strings(norb, neleca) nb = cistring.num_strings(norb, nelecb) return _get_init_guess(na, nb, nroots, hdiag) ############################################################### # direct-CI driver ############################################################### def kernel_ms1(fci, h1e, eri, norb, nelec, ci0=None, link_index=None, tol=None, lindep=None, max_cycle=None, max_space=None, nroots=None, davidson_only=None, pspace_size=None, max_memory=None, verbose=None, ecore=0, **kwargs): if nroots is None: nroots = fci.nroots if davidson_only is None: davidson_only = fci.davidson_only if pspace_size is None: pspace_size = fci.pspace_size if max_memory is None: max_memory = fci.max_memory - lib.current_memory()[0] log = logger.new_logger(fci, verbose) nelec = _unpack_nelec(nelec, fci.spin) assert(0 <= nelec[0] <= norb and 0 <= nelec[1] <= norb) link_indexa, link_indexb = _unpack(norb, nelec, link_index) na = link_indexa.shape[0] nb = link_indexb.shape[0] if max_memory < na*nb*6*8e-6: log.warn('Not enough memory for FCI solver. ' 'The minimal requirement is %.0f MB', na*nb*60e-6) hdiag = fci.make_hdiag(h1e, eri, norb, nelec) nroots = min(hdiag.size, nroots) try: addr, h0 = fci.pspace(h1e, eri, norb, nelec, hdiag, max(pspace_size,nroots)) if pspace_size > 0: pw, pv = fci.eig(h0) else: pw = pv = None if pspace_size >= na*nb and ci0 is None and not davidson_only: # The degenerated wfn can break symmetry. The davidson iteration with proper # initial guess doesn't have this issue if na*nb == 1: return pw[0]+ecore, pv[:,0].reshape(1,1) elif nroots > 1: civec = numpy.empty((nroots,na*nb)) civec[:,addr] = pv[:,:nroots].T return pw[:nroots]+ecore, [c.reshape(na,nb) for c in civec] elif abs(pw[0]-pw[1]) > 1e-12: civec = numpy.empty((na*nb)) civec[addr] = pv[:,0] return pw[0]+ecore, civec.reshape(na,nb) except NotImplementedError: addr = [0] pw = pv = None precond = fci.make_precond(hdiag, pw, pv, addr) h2e = fci.absorb_h1e(h1e, eri, norb, nelec, .5) def hop(c): hc = fci.contract_2e(h2e, c, norb, nelec, (link_indexa,link_indexb)) return hc.ravel() if ci0 is None: if callable(getattr(fci, 'get_init_guess', None)): ci0 = lambda: fci.get_init_guess(norb, nelec, nroots, hdiag) else: def ci0(): # lazy initialization to reduce memory footprint x0 = [] for i in range(nroots): x = numpy.zeros(na*nb) x[addr[i]] = 1 x0.append(x) return x0 elif not callable(ci0): if isinstance(ci0, numpy.ndarray) and ci0.size == na*nb: ci0 = [ci0.ravel()] else: ci0 = [x.ravel() for x in ci0] # Add vectors if not enough initial guess is given if len(ci0) < nroots: if callable(getattr(fci, 'get_init_guess', None)): ci0.extend(fci.get_init_guess(norb, nelec, nroots, hdiag)[len(ci0):]) else: for i in range(len(ci0), nroots): x = numpy.zeros(na*nb) x[addr[i]] = 1 ci0.append(x) if tol is None: tol = fci.conv_tol if lindep is None: lindep = fci.lindep if max_cycle is None: max_cycle = fci.max_cycle if max_space is None: max_space = fci.max_space tol_residual = getattr(fci, 'conv_tol_residual', None) with lib.with_omp_threads(fci.threads): #e, c = lib.davidson(hop, ci0, precond, tol=fci.conv_tol, lindep=fci.lindep) e, c = fci.eig(hop, ci0, precond, tol=tol, lindep=lindep, max_cycle=max_cycle, max_space=max_space, nroots=nroots, max_memory=max_memory, verbose=log, follow_state=True, tol_residual=tol_residual, **kwargs) if nroots > 1: return e+ecore, [ci.reshape(na,nb) for ci in c] else: return e+ecore, c.reshape(na,nb) def make_pspace_precond(hdiag, pspaceig, pspaceci, addr, level_shift=0): # precondition with pspace Hamiltonian, CPL, 169, 463 def precond(r, e0, x0, *args): #h0e0 = h0 - numpy.eye(len(addr))*(e0-level_shift) h0e0inv = numpy.dot(pspaceci/(pspaceig-(e0-level_shift)), pspaceci.T) hdiaginv = 1/(hdiag - (e0-level_shift)) hdiaginv[abs(hdiaginv)>1e8] = 1e8 h0x0 = x0 * hdiaginv #h0x0[addr] = numpy.linalg.solve(h0e0, x0[addr]) h0x0[addr] = numpy.dot(h0e0inv, x0[addr]) h0r = r * hdiaginv #h0r[addr] = numpy.linalg.solve(h0e0, r[addr]) h0r[addr] = numpy.dot(h0e0inv, r[addr]) e1 = numpy.dot(x0, h0r) / numpy.dot(x0, h0x0) x1 = r - e1*x0 #pspace_x1 = x1[addr].copy() x1 *= hdiaginv # pspace (h0-e0)^{-1} cause diverging? #x1[addr] = numpy.linalg.solve(h0e0, pspace_x1) return x1 return precond def make_diag_precond(hdiag, pspaceig, pspaceci, addr, level_shift=0): return lib.make_diag_precond(hdiag, level_shift) class FCISolver(lib.StreamObject): '''Full CI solver Attributes: verbose : int Print level. Default value equals to :class:`Mole.verbose`. max_cycle : int Total number of iterations. Default is 100 max_space : tuple of int Davidson iteration space size. Default is 14. conv_tol : float Energy convergence tolerance. Default is 1e-10. level_shift : float Level shift applied in the preconditioner to avoid singularity. Default is 1e-3 davidson_only : bool By default, the entire Hamiltonian matrix will be constructed and diagonalized if the system is small (see attribute pspace_size). Setting this parameter to True will enforce the eigenvalue problems being solved by Davidson subspace algorithm. This flag should be enabled when initial guess is given or particular spin symmetry or point-group symmetry is required because the initial guess or symmetry are completely ignored in the direct diagonlization. pspace_size : int The dimension of Hamiltonian matrix over which Davidson iteration algorithm will be used for the eigenvalue problem. Default is 400. This is roughly corresponding to a (6e,6o) system. nroots : int Number of states to be solved. Default is 1, the ground state. spin : int or None Spin (2S = nalpha-nbeta) of the system. If this attribute is None, spin will be determined by the argument nelec (number of electrons) of the kernel function. wfnsym : str or int Symmetry of wavefunction. It is used only in direct_spin1_symm and direct_spin0_symm solver. Saved results eci : float or a list of float FCI energy(ies) ci : nparray FCI wfn vector(s) converged : bool (or a list of bool for multiple roots) Whether davidson iteration is converged Examples: >>> from pyscf import gto, scf, ao2mo, fci >>> mol = gto.M(atom='Li 0 0 0; Li 0 0 1', basis='sto-3g') >>> mf = scf.RHF(mol).run() >>> h1 = mf.mo_coeff.T.dot(mf.get_hcore()).dot(mf.mo_coeff) >>> eri = ao2mo.kernel(mol, mf.mo_coeff) >>> cisolver = fci.direct_spin1.FCI(mol) >>> e, ci = cisolver.kernel(h1, eri, h1.shape[1], mol.nelec, ecore=mol.energy_nuc()) >>> print(e) -14.4197890826 ''' max_cycle = getattr(__config__, 'fci_direct_spin1_FCI_max_cycle', 100) max_space = getattr(__config__, 'fci_direct_spin1_FCI_max_space', 12) conv_tol = getattr(__config__, 'fci_direct_spin1_FCI_conv_tol', 1e-10) conv_tol_residual = getattr(__config__, 'fci_direct_spin1_FCI_conv_tol_residual', None) lindep = getattr(__config__, 'fci_direct_spin1_FCI_lindep', 1e-14) # level shift in precond level_shift = getattr(__config__, 'fci_direct_spin1_FCI_level_shift', 1e-3) # force the diagonlization use davidson iteration. When the CI space # is small, the solver exactly diagonlizes the Hamiltonian. But this # solution will ignore the initial guess. Setting davidson_only can # enforce the solution on the initial guess state davidson_only = getattr(__config__, 'fci_direct_spin1_FCI_davidson_only', False) pspace_size = getattr(__config__, 'fci_direct_spin1_FCI_pspace_size', 400) threads = getattr(__config__, 'fci_direct_spin1_FCI_threads', None) lessio = getattr(__config__, 'fci_direct_spin1_FCI_lessio', False) def __init__(self, mol=None): if mol is None: self.stdout = sys.stdout self.verbose = logger.NOTE self.max_memory = lib.param.MAX_MEMORY else: self.stdout = mol.stdout self.verbose = mol.verbose self.max_memory = mol.max_memory self.mol = mol self.nroots = 1 self.spin = None # Initialize symmetry attributes for the compatibility with direct_spin1_symm # solver. They are not used by direct_spin1 solver. self.orbsym = None self.wfnsym = None self.converged = False self.norb = None self.nelec = None self.eci = None self.ci = None keys = set(('max_cycle', 'max_space', 'conv_tol', 'lindep', 'level_shift', 'davidson_only', 'pspace_size', 'threads', 'lessio')) self._keys = set(self.__dict__.keys()).union(keys) @property def e_tot(self): return self.eci @property def nstates(self): return self.nroots @nstates.setter def nstates(self, x): self.nroots = x def dump_flags(self, verbose=None): log = logger.new_logger(self, verbose) log.info('******** %s ********', self.__class__) log.info('max. cycles = %d', self.max_cycle) log.info('conv_tol = %g', self.conv_tol) log.info('davidson only = %s', self.davidson_only) log.info('linear dependence = %g', self.lindep) log.info('level shift = %g', self.level_shift) log.info('max iter space = %d', self.max_space) log.info('max_memory %d MB', self.max_memory) log.info('nroots = %d', self.nroots) log.info('pspace_size = %d', self.pspace_size) log.info('spin = %s', self.spin) return self @lib.with_doc(absorb_h1e.__doc__) def absorb_h1e(self, h1e, eri, norb, nelec, fac=1): nelec = _unpack_nelec(nelec, self.spin) return absorb_h1e(h1e, eri, norb, nelec, fac) @lib.with_doc(make_hdiag.__doc__) def make_hdiag(self, h1e, eri, norb, nelec): nelec = _unpack_nelec(nelec, self.spin) return make_hdiag(h1e, eri, norb, nelec) @lib.with_doc(pspace.__doc__) def pspace(self, h1e, eri, norb, nelec, hdiag=None, np=400): nelec = _unpack_nelec(nelec, self.spin) return pspace(h1e, eri, norb, nelec, hdiag, np) @lib.with_doc(contract_1e.__doc__) def contract_1e(self, f1e, fcivec, norb, nelec, link_index=None, **kwargs): nelec = _unpack_nelec(nelec, self.spin) return contract_1e(f1e, fcivec, norb, nelec, link_index, **kwargs) @lib.with_doc(contract_2e.__doc__) def contract_2e(self, eri, fcivec, norb, nelec, link_index=None, **kwargs): nelec = _unpack_nelec(nelec, self.spin) return contract_2e(eri, fcivec, norb, nelec, link_index, **kwargs) def eig(self, op, x0=None, precond=None, **kwargs): if isinstance(op, numpy.ndarray): self.converged = True return scipy.linalg.eigh(op) self.converged, e, ci = \ lib.davidson1(lambda xs: [op(x) for x in xs], x0, precond, lessio=self.lessio, **kwargs) if kwargs['nroots'] == 1: self.converged = self.converged[0] e = e[0] ci = ci[0] return e, ci def make_precond(self, hdiag, pspaceig, pspaceci, addr): if pspaceig is None: return make_diag_precond(hdiag, pspaceig, pspaceci, addr, self.level_shift) else: return make_pspace_precond(hdiag, pspaceig, pspaceci, addr, self.level_shift) @lib.with_doc(get_init_guess.__doc__) def get_init_guess(self, norb, nelec, nroots, hdiag): return get_init_guess(norb, nelec, nroots, hdiag) def kernel(self, h1e, eri, norb, nelec, ci0=None, tol=None, lindep=None, max_cycle=None, max_space=None, nroots=None, davidson_only=None, pspace_size=None, orbsym=None, wfnsym=None, ecore=0, **kwargs): if self.verbose >= logger.WARN: self.check_sanity() self.norb = norb self.nelec = nelec self.eci, self.ci = \ kernel_ms1(self, h1e, eri, norb, nelec, ci0, None, tol, lindep, max_cycle, max_space, nroots, davidson_only, pspace_size, ecore=ecore, **kwargs) return self.eci, self.ci @lib.with_doc(energy.__doc__) def energy(self, h1e, eri, fcivec, norb, nelec, link_index=None): nelec = _unpack_nelec(nelec, self.spin) h2e = self.absorb_h1e(h1e, eri, norb, nelec, .5) ci1 = self.contract_2e(h2e, fcivec, norb, nelec, link_index) return numpy.dot(fcivec.reshape(-1), ci1.reshape(-1)) def spin_square(self, fcivec, norb, nelec): nelec = _unpack_nelec(nelec, self.spin) return spin_op.spin_square0(fcivec, norb, nelec) spin_square.__doc__ = spin_op.spin_square0.__doc__ @lib.with_doc(make_rdm1s.__doc__) def make_rdm1s(self, fcivec, norb, nelec, link_index=None): nelec = _unpack_nelec(nelec, self.spin) return make_rdm1s(fcivec, norb, nelec, link_index) @lib.with_doc(make_rdm1.__doc__) def make_rdm1(self, fcivec, norb, nelec, link_index=None): nelec = _unpack_nelec(nelec, self.spin) return make_rdm1(fcivec, norb, nelec, link_index) @lib.with_doc(make_rdm12s.__doc__) def make_rdm12s(self, fcivec, norb, nelec, link_index=None, reorder=True): nelec = _unpack_nelec(nelec, self.spin) return make_rdm12s(fcivec, norb, nelec, link_index, reorder) @lib.with_doc(make_rdm12.__doc__) def make_rdm12(self, fcivec, norb, nelec, link_index=None, reorder=True): nelec = _unpack_nelec(nelec, self.spin) return make_rdm12(fcivec, norb, nelec, link_index, reorder) def make_rdm2(self, fcivec, norb, nelec, link_index=None, reorder=True): r'''Spin traced 2-particle density matrice NOTE the 2pdm is :math:`\langle p^\dagger q^\dagger s r\rangle` but stored as [p,r,q,s] ''' nelec = _unpack_nelec(nelec, self.spin) return self.make_rdm12(fcivec, norb, nelec, link_index, reorder)[1] @lib.with_doc(trans_rdm1s.__doc__) def trans_rdm1s(self, cibra, ciket, norb, nelec, link_index=None): nelec = _unpack_nelec(nelec, self.spin) return trans_rdm1s(cibra, ciket, norb, nelec, link_index) @lib.with_doc(trans_rdm1.__doc__) def trans_rdm1(self, cibra, ciket, norb, nelec, link_index=None): nelec = _unpack_nelec(nelec, self.spin) return trans_rdm1(cibra, ciket, norb, nelec, link_index) @lib.with_doc(trans_rdm12s.__doc__) def trans_rdm12s(self, cibra, ciket, norb, nelec, link_index=None, reorder=True): nelec = _unpack_nelec(nelec, self.spin) return trans_rdm12s(cibra, ciket, norb, nelec, link_index, reorder) @lib.with_doc(trans_rdm12.__doc__) def trans_rdm12(self, cibra, ciket, norb, nelec, link_index=None, reorder=True): nelec = _unpack_nelec(nelec, self.spin) return trans_rdm12(cibra, ciket, norb, nelec, link_index, reorder) def large_ci(self, fcivec, norb, nelec, tol=getattr(__config__, 'fci_addons_large_ci_tol', .1), return_strs=getattr(__config__, 'fci_addons_large_ci_return_strs', True)): nelec = _unpack_nelec(nelec, self.spin) return addons.large_ci(fcivec, norb, nelec, tol, return_strs) def transform_ci_for_orbital_rotation(self, fcivec, norb, nelec, u): nelec = _unpack_nelec(nelec, self.spin) return addons.transform_ci_for_orbital_rotation(fcivec, norb, nelec, u) def contract_ss(self, fcivec, norb, nelec): from pyscf.fci import spin_op nelec = _unpack_nelec(nelec, self.spin) return spin_op.contract_ss(fcivec, norb, nelec) def gen_linkstr(self, norb, nelec, tril=True, spin=None): if spin is None: spin = self.spin neleca, nelecb = _unpack_nelec(nelec, spin) if tril: link_indexa = cistring.gen_linkstr_index_trilidx(range(norb), neleca) link_indexb = cistring.gen_linkstr_index_trilidx(range(norb), nelecb) else: link_indexa = cistring.gen_linkstr_index(range(norb), neleca) link_indexb = cistring.gen_linkstr_index(range(norb), nelecb) return link_indexa, link_indexb FCI = FCISolver def _unpack(norb, nelec, link_index, spin=None): if link_index is None: neleca, nelecb = _unpack_nelec(nelec, spin) link_indexa = link_indexb = cistring.gen_linkstr_index_trilidx(range(norb), neleca) if neleca != nelecb: link_indexb = cistring.gen_linkstr_index_trilidx(range(norb), nelecb) return link_indexa, link_indexb else: return link_index if __name__ == '__main__': from functools import reduce from pyscf import gto from pyscf import scf from pyscf import ao2mo mol = gto.Mole() mol.verbose = 0 mol.output = None#"out_h2o" mol.atom = [ ['H', ( 1.,-1. , 0. )], ['H', ( 0.,-1. ,-1. )], ['H', ( 1.,-0.5 ,-1. )], #['H', ( 0.,-0.5 ,-1. )], #['H', ( 0.,-0.5 ,-0. )], ['H', ( 0.,-0. ,-1. )], ['H', ( 1.,-0.5 , 0. )], ['H', ( 0., 1. , 1. )], ] mol.basis = {'H': 'sto-3g'} mol.build() m = scf.RHF(mol) ehf = m.scf() cis = FCISolver(mol) norb = m.mo_coeff.shape[1] nelec = mol.nelectron - 2 h1e = reduce(numpy.dot, (m.mo_coeff.T, m.get_hcore(), m.mo_coeff)) eri = ao2mo.incore.general(m._eri, (m.mo_coeff,)*4, compact=False) eri = eri.reshape(norb,norb,norb,norb) nea = nelec//2 + 1 neb = nelec//2 - 1 nelec = (nea, neb) e1 = cis.kernel(h1e, eri, norb, nelec, davidson_only=True)[0] print(e1, e1 - -7.7466756526056004)
gkc1000/pyscf
pyscf/fci/direct_spin1.py
Python
apache-2.0
38,081
[ "PySCF" ]
139e323f07ef52a7119a374c18f1b658513ff9ad6d603d6f70b57ccf3d3a21fe
#=== PHYSICS ========================================================================================= # 2D physics functions. # Authors: Tom De Smedt, Giorgio Olivero (Vector class) # License: BSD (see LICENSE.txt for details). # Copyright (c) 2008 City In A Bottle (cityinabottle.org) # http://cityinabottle.org/nodebox # This module can benefit greatly from loading psyco. from math import sqrt, pow from math import sin, cos, atan2, degrees, radians, pi from random import random from heapq import heappush, heappop from warnings import warn # float("inf") doesn't work on windows. INFINITE = 1e20 # This module is standalone, line(), ellipse() and Text.draw() # must be either implemented or patched: def line(x1, y1, x2, y2, stroke=(0,0,0,1), strokewidth=1): pass def ellipse(x, y, width, height, fill=(0,0,0,1), stroke=None, strokewidth=1): pass class Text: def __init__(self, string, **kwargs): self.string = string self.__dict__.update(kwargs) def copy(self): k = self.__dict__.copy() k.pop("string") return Text(self.string, **k) def draw(self): pass #===================================================================================================== #--- VECTOR ------------------------------------------------------------------------------------------ # A Euclidean vector (sometimes called a geometric or spatial vector, or - as here - simply a vector) # is a geometric object that has both a magnitude (or length) and direction. # A vector is frequently represented by a line segment with an arrow. class Vector(object): def __init__(self, x=0, y=0, z=0, length=None, angle=None): """ A vector represents a direction and a magnitude (or length). Vectors can be added, subtracted, multiplied, divided, flipped, and 2D rotated. Vectors are used in physics to represent velocity and acceleration. """ self.x = float(x) self.y = float(y) self.z = float(z) if length is not None: self.length = length if angle is not None: self.angle = angle def copy(self): return Vector(self.x, self.y, self.z) def __getitem__(self, i): return (self.x, self.y, self.z)[i] def __setitem__(self, i, v): setattr(self, ("x", "y", "z")[i], float(v)) def _get_xyz(self): return (self.x, self.y, self.z) def _set_xyz(self, coords): self.x = float(coords[0]) self.y = float(coords[1]) self.z = float(coords[2]) xyz = property(_get_xyz, _set_xyz) def _get_xy(self): return (self.x, self.y) def _set_xy(self, coords): self.x = float(coords[0]) self.y = float(coords[1]) xy = property(_get_xy, _set_xy) def _get_length(self): return sqrt(self.x**2 + self.y**2 + self.z**2) def _set_length(self, n): d = self.length or 1 self.x *= n/d self.y *= n/d self.z *= n/d length = magnitude = property(_get_length, _set_length) def distance(self, v): """ Returns the distance between two vectors, e.g. if two vectors would be two sides of a triangle, returns the third side. """ dx = v.x - self.x dy = v.y - self.y dz = v.z - self.z return sqrt(dx**2 + dy**2 + dz**2) def distance2(self, v): # Squared distance, avoiding the costly root calculation. return (v.x-self.x)**2 + (v.y-self.y)**2 + (v.z-self.z)**2 def normalize(self): """ Normalizes the vector to a unit vector with length=1. """ d = self.length or 1 self.x /= d self.y /= d self.z /= d def _normalized(self): """ Yields a new vector that is the normalized vector of this vector. """ d = self.length if d == 0: return self.copy() return Vector(self.x/d, self.y/d, self.z/d) normalized = unit = property(_normalized) def reverse(self): """ Reverses the direction of the vector so it points in the opposite direction. """ self.x = -self.x self.y = -self.y self.z = -self.z flip = reverse def _reversed(self): """ Yields a new vector pointing in the opposite direction of this vector. """ return Vector(-self.x, -self.y, -self.z) reversed = flipped = inverse = property(_reversed) # v.normal, v.angle, v.rotate(), v.rotated() and v.angle_to() are defined in 2D. # v.in2D.rotate() is here for decorational purposes. @property def in2D(self): return self def _orthogonal(self): """ Yields a new vector whose 2D angle is 90 degrees (perpendicular) to this vector. In 3D, there would be many perpendicular vectors. """ return Vector(self.y, -self.x, self.z) orthogonal = perpendicular = normal = property(_orthogonal) def _get_angle(self): """ Yields the 2D direction of the vector. """ return degrees(atan2(self.y, self.x)) def _set_angle(self, degrees): d = self.length self.x = cos(radians(degrees)) * d self.y = sin(radians(degrees)) * d angle = direction = property(_get_angle, _set_angle) def rotate(self, degrees): """ Rotates the direction of the vector in 2D. """ self.angle += degrees def rotated(self, degrees): """ Returns a copy of the vector with direction rotated in 2D. """ v = self.copy() v.rotate(degrees) return v def angle_to(self, v): """ Returns the 2D angle between two vectors. """ return degrees(atan2(v.y, v.x) - atan2(self.y, self.x)) angle_between = angle_to # Arithmetic operators. # + - * / returns new vector objects. def __add__(self, v): if isinstance(v, (int, float)): return Vector(self.x+v, self.y+v, self.z+v) return Vector(self.x+v.x, self.y+v.y, self.z+v.z) def __sub__(self, v): if isinstance(v, (int, float)): return Vector(self.x-v, self.y-v, self.z-v) return Vector(self.x-v.x, self.y-v.y, self.z-v.z) def __mul__(self, v): if isinstance(v, (int, float)): return Vector(self.x*v, self.y*v, self.z*v) return Vector(self.x*v.x, self.y*v.y, self.z*v.z) def __div__(self, v): if isinstance(v, (int, float)): return Vector(self.x/v, self.y/v, self.z/v) return Vector(self.x/v.x, self.y/v.y, self.z/v.z) # += -= *= /= modify the vector coordinates in-place. def __iadd__(self, v): if isinstance(v, (int, float)): self.x+=v; self.y+=v; self.z+=v; return self self.x+=v.x; self.y+=v.y; self.z+=v.z; return self def __isub__(self, v): if isinstance(v, (int, float)): self.x-=v; self.y-=v; self.z-=v; return self self.x-=v.x; self.y-=v.y; self.z-=v.z; return self def __imul__(self, v): if isinstance(v, (int, float)): self.x*=v; self.y*=v; self.z*=v; return self self.x*=v.x; self.y*=v.y; self.z*=v.z; return self def __idiv__(self, v): if isinstance(v, (int, float)): self.x/=v; self.y/=v; self.z/=v; return self self.x/=v.x; self.y/=v.y; self.z/=v.z; return self def dot(self, v): """ Returns a scalar that is the dot product between the two vectors. """ return self.x*v.x + self.y*v.y + self.z*v.z def cross(self, v): """ Returns a new vector that is the cross product between the two vectors. """ return Vector(self.y*v.z - self.z*v.y, self.z*v.x - self.x*v.z, self.x*v.y - self.y*v.x) def __neg__(self): return Vector(-self.x, -self.y, -self.z) def __eq__(self, v): return isinstance(v, Vector) and self.x == v.x and self.y == v.y and self.z == v.z def __ne__(self, v): return not self.__eq__(v) def __repr__(self): return "%s(%.2f, %.2f, %.2f)" % (self.__class__.__name__, self.x, self.y, self.z) def draw(self, x, y): """ Draws the vector in 2D (z-axis is ignored). Set stroke() and strokewidth() first. """ ellipse(x, y, 4, 4) line(x, y, x+self.x, y+self.y) #===================================================================================================== #--- FLOCKING ---------------------------------------------------------------------------------------- # Boids is an artificial life program, developed by Craig Reynolds in 1986, # which simulates the flocking behavior of birds. # Boids is an example of emergent behavior, the complexity of Boids arises # from the interaction of individual agents adhering to a set of simple rules: # - separation: steer to avoid crowding local flockmates, # - alignment: steer towards the average heading of local flockmates, # - cohesion: steer to move toward the average position of local flockmates. # Unexpected behavior, such as splitting flocks and reuniting after avoiding obstacles, # can be considered emergent. The boids framework is often used in computer graphics, # providing realistic-looking representations of flocks of birds and other creatures, # such as schools of fish or herds of animals. _UID = 0 def _uid(): global _UID; _UID+=1; return _UID class Boid: def __init__(self, flock, x=0, y=0, z=0, sight=70, space=30): """ An agent in a flock with an (x,y,z)-position subject to different forces. - sight : radius of local flockmates when calculating cohesion and alignment. - space : radius of personal space when calculating separation. """ self._id = _uid() self.flock = flock self.x = x self.y = y self.z = z self.velocity = Vector(random()*2-1, random()*2-1, random()*2-1) self.target = None # A target Vector towards which the boid will steer. self.sight = sight # The radius of cohesion and alignment, and visible obstacles. self.space = space # The radius of separation. self.dodge = False # Avoiding an obstacle? self.crowd = 0 # Percentage (0.0-1.0) of flockmates within sight. def __eq__(self, other): # Comparing boids by id makes it significantly faster. return isinstance(other, Boid) and self._id == other._id def __ne__(self, other): return not self.__eq__(other) def copy(self): b = Boid(self.flock, self.x, self.y, self.z, self.sight, self.space) b.velocity = self.velocity.copy() b.target = self.target return b @property def heading(self): """ The boid's heading as an angle in degrees. """ return self.velocity.angle @property def depth(self): """ The boid's relative depth (0.0-1.0) in the flock's container box. """ return not self.flock.depth and 1.0 or max(0.0, min(1.0, self.z / self.flock.depth)) def near(self, boid, distance=50): """ Returns True if the given boid is within distance. """ # Distance is measured in a box instead of a sphere for performance. return abs(self.x - boid.x) < distance and \ abs(self.y - boid.y) < distance and \ abs(self.z - boid.z) < distance def separation(self, distance=25): """ Returns steering velocity (vx,vy,vz) to avoid crowding local flockmates. """ vx = vy = vz = 0.0 for b in self.flock: if b != self: if abs(self.x-b.x) < distance: vx += self.x - b.x if abs(self.y-b.y) < distance: vy += self.y - b.y if abs(self.z-b.z) < distance: vz += self.z - b.z return vx, vy, vz def alignment(self, distance=50): """ Returns steering velocity (vx,vy,vz) towards the average heading of local flockmates. """ vx = vy = vz = n = 0.0 for b in self.flock: if b != self and b.near(self, distance): vx += b.velocity.x vy += b.velocity.y vz += b.velocity.z; n += 1 if n: return (vx/n-self.velocity.x), (vy/n-self.velocity.y), (vz/n-self.velocity.z) return vx, vy, vz def cohesion(self, distance=40): """ Returns steering velocity (vx,vy,vz) towards the average position of local flockmates. """ vx = vy = vz = n = 0.0 for b in self.flock: if b != self and b.near(self, distance): vx += b.x vy += b.y vz += b.z; n += 1 # Calculate percentage of flockmates within sight. self.crowd = float(n) / (len(self.flock) or 1) if n: return (vx/n-self.x), (vy/n-self.y), (vz/n-self.z) return vx, vy, vz def avoidance(self): """ Returns steering velocity (vx,vy,0) to avoid 2D obstacles. The boid is not guaranteed to avoid collision. """ vx = vy = 0.0 self.dodge = False for o in self.flock.obstacles: dx = o.x - self.x dy = o.y - self.y d = sqrt(dx**2 + dy**2) # Distance to obstacle. s = (self.sight + o.radius) # Visibility range. if d < s: self.dodge = True # Force grows exponentially from 0.0 to 1.0, # where 1.0 means the boid touches the obstacle circumference. f = (d-o.radius) / (s-o.radius) f = (1-f)**2 if d < o.radius: f *= 4 #self.velocity.reverse() vx -= dx * f vy -= dy * f return (vx, vy, 0) def limit(self, speed=10.0): """ Limits the boid's velocity (the boid can momentarily go very fast). """ v = self.velocity m = max(abs(v.x), abs(v.y), abs(v.z)) or 1 if abs(v.x) > speed: v.x = v.x / m * speed if abs(v.y) > speed: v.y = v.y / m * speed if abs(v.z) > speed: v.z = v.z / m * speed def update(self, separation=0.2, cohesion=0.2, alignment=0.6, avoidance=0.6, target=0.2, limit=15.0): """ Updates the boid's velocity based on the cohesion, separation and alignment forces. - separation: force that keeps boids apart. - cohesion : force that keeps boids closer together. - alignment : force that makes boids move in the same direction. - avoidance : force that steers the boid away from obstacles. - target : force that steers the boid towards a target vector. - limit : maximum velocity. """ f = 0.1 m1, m2, m3, m4, m5 = separation*f, cohesion*f, alignment*f, avoidance*f, target*f vx1, vy1, vz1 = self.separation(self.space) vx2, vy2, vz2 = self.cohesion(self.sight) vx3, vy3, vz3 = self.alignment(self.sight) vx4, vy4, vz4 = self.avoidance() vx5, vy5, vz5 = self.target and ( (self.target.x-self.x), (self.target.y-self.y), (self.target.z-self.z)) or (0,0,0) self.velocity.x += m1*vx1 + m2*vx2 + m3*vx3 + m4*vx4 + m5*vx5 self.velocity.y += m1*vy1 + m2*vy2 + m3*vy3 + m4*vy4 + m5*vy5 self.velocity.z += m1*vz1 + m2*vz2 + m3*vz3 + m4*vz4 + m5*vz5 self.velocity.z = self.flock.depth and self.velocity.z or 0 # No z-axis for Flock.depth=0 self.limit(speed=limit) self.x += self.velocity.x self.y += self.velocity.y self.z += self.velocity.z def seek(self, vector): """ Sets the given Vector as the boid's target. """ self.target = vector def __repr__(self): return "Boid(x=%.1f, y=%.1f, z=%.1f)" % (self.x, self.y, self.z) class Obstacle: def __init__(self, x=0, y=0, z=0, radius=10): """ An obstacle with an (x, y, z) position and a radius. Boids will steer around obstacles that the flock is aware of, and that they can see. """ self.x = x self.y = y self.z = z self.radius = radius def copy(self): return Obstacle(self.x, self.y, self.z, self.radius) def __repr__(self): return "Obstacle(x=%.1f, y=%.1f, z=%.1f, radius=%.1f)" % (self.x, self.y, self.z, self.radius) class Flock(list): def __init__(self, amount, x, y, width, height, depth=100.0, obstacles=[]): """ A flock of the given amount of boids, confined to a box. Obstacles can be added to Flock.obstacles (boids will steer away from them). """ self.x = x self.y = y self.width = width self.height = height self.depth = depth self.scattered = False self.gather = 0.05 self.obstacles = [] for i in range(amount): # Boids will originate from the center of the flocking area. b = Boid(self, self.x + 0.5 * (width or 0), self.y + 0.5 * (height or 0), 0.5 * (depth or 0)) self.append(b) @property def boids(self): return self def copy(self): f = Flock(0, self.x, self.y, self.width, self.height, self.depth) f.scattered = self.scattered f.gather = self.gather f.obstacles = [o.copy() for o in self.obstacles] for b in self: f.append(b.copy()) return f def seek(self, target): """ Sets the target vector of all boids in the flock (None for no target). """ for b in self: b.seek(target) def sight(self, distance): for b in self: b.sight = distance def space(self, distance): for b in self: b.space = distance def constrain(self, force=1.0, teleport=False): """ Keep the flock inside the rectangular flocking area. The given force determines how fast the boids will swivel when near an edge. Alternatively, with teleport=True boids that cross a 2D edge teleport to the opposite side. """ f = 5 def _teleport(b): if b.x < self.x: b.x = self.x + self.width if b.x > self.x + self.width: b.x = self.x if b.y < self.y: b.y = self.y + self.height if b.y > self.y + self.height: b.y = self.y def _constrain(b): if b.x < self.x: b.velocity.x += force * f * random() if b.x > self.x + self.width: b.velocity.x -= force * f * random() if b.y < self.y: b.velocity.y += force * f * random() if b.y > self.y + self.height: b.velocity.y -= force * f * random() for b in self: if b.z < 0: b.velocity.z += force * f * random() if b.z > self.depth: b.velocity.z -= force * f * random() teleport and _teleport(b) \ or _constrain(b) def scatter(self, gather=0.05): """ Scatters the flock, until Flock.scattered=False. Flock.gather is the chance (0.0-1.0, or True/False) that the flock will reunite by itself. """ self.scattered = True self.gather = gather def update(self, separation=0.2, cohesion=0.2, alignment=0.6, avoidance=0.6, target=0.2, limit=15.0, constrain=1.0, teleport=False): """ Updates the boid velocities based on the given forces. Different forces elicit different flocking behavior; fine-tuning them can be delicate. """ if self.scattered: # When scattered, make the boid cohesion negative and diminish alignment. self.scattered = (random() > self.gather) cohesion = -0.01 alignment *= 0.25 for b in self: b.update(separation, cohesion, alignment, avoidance, target, limit) self.constrain(force=constrain, teleport=teleport) def by_depth(self): """ Returns the boids in the flock sorted by depth (z-axis). """ return sorted(self, key=lambda boid: boid.z) def __repr__(self): return "Flock(%s)" % repr(list(self)) flock = Flock #=== SYSTEM ========================================================================================== # A computer graphics technique to simulate certain fuzzy phenomena, # which are otherwise very hard to reproduce with conventional rendering techniques: # fire, explosions, smoke, moving water, sparks, falling leaves, clouds, fog, snow, dust, # meteor tails, hair, fur, grass, or abstract visual effects like glowing trails, magic spells. #--- FORCE ------------------------------------------------------------------------------------------- class Force: def __init__(self, particle1, particle2, strength=1.0, threshold=100.0): """ An attractive or repulsive force that causes objects with a mass to accelerate. A negative strength indicates an attractive force. """ self.particle1 = particle1 self.particle2 = particle2 self.strength = strength self.threshold = threshold def apply(self): """ Applies the force between two particles, based on the distance and mass of the particles. """ # Distance has a minimum threshold to keep forces from growing too large, # e.g. distance 100 divides force by 10000, distance 5 only by 25. # Decreasing the threshold moves particles that are very close to each other away faster. dx = self.particle2.x - self.particle1.x dy = self.particle2.y - self.particle1.y d = sqrt(dx*dx + dy*dy) d = max(d, self.threshold) # The force between particles increases according to their weight. # The force decreases as distance between them increases. f = 10.0 * -self.strength * self.particle1.mass * self.particle2.mass f = f / (d*d) fx = f * dx / d fy = f * dy / d self.particle1.force.x += fx self.particle1.force.y += fy self.particle2.force.x -= fx self.particle2.force.y -= fy def __repr__(self): return "Force(strength=%.2f)" % self.strength force = Force #--- SPRING ------------------------------------------------------------------------------------------ class Spring: def __init__(self, particle1, particle2, length, strength=1.0): """ A force that exerts attractive resistance when its length changes. A spring acts as a flexible (but secure) connection between two particles. """ self.particle1 = particle1 self.particle2 = particle2 self.strength = strength self.length = length self.snapped = False def snap(self): """ Breaks the connection between the two particles. """ self.snapped = True def apply(self): """ Applies the force between two particles. """ # Distance between two particles. dx = self.particle2.x - self.particle1.x dy = self.particle2.y - self.particle1.y d = sqrt(dx*dx + dy*dy) if d == 0: return # The attractive strength decreases for heavy particles. # The attractive strength increases when the spring is stretched. f = 10.0 * self.strength / (self.particle1.mass * self.particle2.mass) f = f * (d - self.length) fx = f * dx / d fy = f * dy / d self.particle1.force.x += fx self.particle1.force.y += fy self.particle2.force.x -= fx self.particle2.force.y -= fy def draw(self, **kwargs): line(self.particle1.x, self.particle1.y, self.particle2.x, self.particle2.y, **kwargs) def __repr__(self): return "Spring(strength='%.2f', length='%.2f')" % (self.strength, self.length) spring = Spring #--- PARTICLE ---------------------------------------------------------------------------------------- MASS = "mass" class Particle: def __init__(self, x, y, velocity=(0.0,0.0), mass=10.0, radius=10.0, life=None, fixed=False): """ An object with a mass subjected to attractive and repulsive forces. The object's velocity is an inherent force (e.g. a rocket propeller to escape gravity). """ self._id = _uid() self.x = x + random() self.y = y + random() self.mass = mass self.radius = radius == MASS and mass or radius self.velocity = isinstance(velocity, tuple) and Vector(*velocity) or velocity self.force = Vector(0.0, 0.0) # Force accumulator. self.life = life self._age = 0.0 self.dead = False self.fixed = fixed @property def age(self): # Yields the particle's age as a number between 0.0 and 1.0. return self.life and min(1.0, float(self._age) / self.life) or 0.0 def draw(self, **kwargs): r = self.radius * (1 - self.age) ellipse(self.x, self.y, r*2, r*2, **kwargs) def __eq__(self, other): return isinstance(other, Particle) and self._id == other._id def __ne__(self, other): return not self.__eq__(other) def __repr__(self): return "Particle(x=%.1f, y=%.1f, radius=%.1f, mass=%.1f)" % ( self.x, self.y, self.radius, self.mass) particle = Particle #--- SYSTEM ------------------------------------------------------------------------------------------ class flist(list): def __init__(self, system): # List of forces or springs that keeps System.dynamics in synch. self.system = system def insert(self, i, force): list.insert(self, i, force) self.system._dynamics.setdefault(force.particle1._id, []).append(force) self.system._dynamics.setdefault(force.particle2._id, []).append(force) def append(self, force): self.insert(len(self), force) def extend(self, forces): for f in forces: self.append(f) def pop(self, i): f = list.pop(self, i) self.system._dynamics.pop(force.particle1._id) self.system._dynamics.pop(force.particle2._id) return f def remove(self, force): i = self.index(force); self.pop(i) class System(object): def __init__(self, gravity=(0,0), drag=0.0): """ A collection of particles and the forces working on them. """ self.particles = [] self.emitters = [] self.forces = flist(self) self.springs = flist(self) self.gravity = isinstance(gravity, tuple) and Vector(*gravity) or gravity self.drag = drag self._dynamics = {} # Particle id linked to list of applied forces. def __len__(self): return len(self.particles) def __iter__(self): return iter(self.particles) def __getitem__(self, i): return self.particles[i] def extend(self, x): for x in x: self.append(x) def append(self, x): if isinstance(x, Particle) and not x in self.particles: self.particles.append(x) elif isinstance(x, Force): self.forces.append(x) elif isinstance(x, Spring): self.springs.append(x) elif isinstance(x, Emitter): self.emitters.append(x) self.extend(x.particles) x.system = self def _cross(self, f=lambda particle1, particle2: None, source=None, particles=[]): # Applies function f to any two given particles in the list, # or between source and any other particle if source is given. P = particles or self.particles for i, p1 in enumerate(P): if source is None: [f(p1, p2) for p2 in P[i+1:]] else: f(source, p1) def force(self, strength=1.0, threshold=100, source=None, particles=[]): """ The given force is applied between each two particles. The effect this yields (with a repulsive force) is an explosion. - source: one vs. all, apply the force to this particle with all others. - particles: a list of particles to apply the force to (some vs. some or some vs. source). Be aware that 50 particles wield yield 1250 forces: O(n**2/2); or O(n) with source. The force is applied to particles present in the system, those added later on are not subjected to the force. """ f = lambda p1, p2: self.forces.append(Force(p1, p2, strength, threshold)) self._cross(f, source, particles) def dynamics(self, particle, type=None): """ Returns a list of forces working on the particle, optionally filtered by type (e.g. Spring). """ F = self._dynamics.get(isinstance(particle, Particle) and particle._id or particle, []) F = [f for f in F if type is None or isinstance(f, type)] return F def limit(self, particle, m=None): """ Limits the movement of the particle to m. When repulsive particles are close to each other, their force can be very high. This results in large movement steps, and gaps in the animation. This can be remedied by limiting the total force. """ # The right way to do it requires 4x sqrt(): # if m and particle.force.length > m: # particle.force.length = m # if m and particle.velocity.length > m: # particle.velocity.length = m if m is not None: for f in (particle.force, particle.velocity): if abs(f.x) > m: f.y *= m / abs(f.x) f.x *= m / abs(f.x) if abs(f.y) > m: f.x *= m / abs(f.y) f.y *= m / abs(f.y) def update(self, limit=30): """ Updates the location of the particles by applying all the forces. """ for e in self.emitters: # Fire particles from emitters. e.update() for p in self.particles: # Apply gravity. Heavier objects have a stronger attraction. p.force.x = 0 p.force.y = 0 p.force.x += 0.1 * self.gravity.x * p.mass p.force.y += 0.1 * -self.gravity.y * p.mass for f in self.forces: # Apply attractive and repulsive forces between particles. if not f.particle1.dead and \ not f.particle2.dead: f.apply() for s in self.springs: # Apply spring forces between particles. if not s.particle1.dead and \ not s.particle2.dead and \ not s.snapped: s.apply() for p in self.particles: if not p.fixed: # Apply drag. p.velocity.x *= 1.0 - min(1.0, self.drag) p.velocity.y *= 1.0 - min(1.0, self.drag) # Apply velocity. p.force.x += p.velocity.x p.force.y += p.velocity.y # Limit the accumulated force and update the particle's position. self.limit(p, limit) p.x += p.force.x p.y += p.force.y if p.life: # Apply lifespan. p._age += 1 p.dead = p._age > p.life @property def dead(self): # Yields True when all particles are dead (and we don't need to update anymore). for p in self.particles: if not p.dead: return False return True def draw(self, **kwargs): """ Draws the system at the current iteration. """ for s in self.springs: if not s.particle1.dead and \ not s.particle2.dead and \ not s.snapped: s.draw(**kwargs) for p in self.particles: if not p.dead: p.draw(**kwargs) def __repr__(self): return "System(particles=%i, forces=%i, springs=%i)" % \ (len(self.particles), len(self.forces), len(self.springs)) system = System # Notes: # While this system is interesting for many effects, it is unstable. # If for example very strong springs are applied, particles will start "shaking". # This is because the forces are simply added to the particle's position instead of integrated. # See also: # http://local.wasp.uwa.edu.au/~pbourke/miscellaneous/particle/ # http://local.wasp.uwa.edu.au/~pbourke/miscellaneous/particle/particlelib.c #def euler_derive(particle, dt=0.1): # particle.x += particle.velocity.x * dt # particle.y += particle.velocity.y * dt # particle.velocity.x += particle.force.x / particle.mass * dt # particle.velocity.y += particle.force.y / particle.mass * dt # If this is applied, springs will need a velocity dampener: #fx = f + 0.01 + (self.particle2.velocity.x - self.particle1.velocity.x) * dx / d #fy = f + 0.01 + (self.particle2.velocity.y - self.particle1.velocity.y) * dy / d # In pure Python this is slow, since only 1/10 of the force is applied each System.update(). #--- EMITTER ----------------------------------------------------------------------------------------- class Emitter(object): def __init__(self, x, y, angle=0, strength=1.0, spread=10): """ A source that shoots particles in a given direction with a given strength. """ self.system = None # Set when appended to System. self.particles = [] self.x = x self.y = y self.velocity = Vector(1, 1, length=strength, angle=angle) self.spread = spread # Angle-of-view. self._i = 0 # Current iteration. def __len__(self): return len(self.particles) def __iter__(self): return iter(self.particles) def __getitem__(self, i): return self.particles[i] def extend(self, x, life=100): for x in x: self.append(x, life) def append(self, particle, life=100): particle.life = particle.life or life particle._age = particle.life particle.dead = True self.particles.append(particle) if self.system is not None: # Also append the particle to the system the emitter is part of. self.system.append(particle) def _get_angle(self): return self.velocity.angle def _set_angle(self, v): self.velocity.angle = v angle = property(_get_angle, _set_angle) def _get_strength(self): return self.velocity.length def _set_strength(self, v): self.velocity.length = max(v, 0.01) strength = length = magnitude = property(_get_strength, _set_strength) def update(self): """ Update the system and respawn dead particles. When a particle dies, it can be reused as a new particle fired from the emitter. This is more efficient than creating a new Particle object. """ self._i += 1 # Respawn occurs gradually. p = self.particles[self._i % len(self.particles)] if p.dead: p.x = self.x p.y = self.y p.velocity = self.velocity.rotated(self.spread * 0.5 * (random()*2-1)) p._age = 0 p.dead = False emitter = Emitter #=== GRAPH =========================================================================================== # Graph visualization is a way of representing information as diagrams of abstract graphs and networks. # Automatic graph drawing has many important applications in software engineering, # database and web design, networking, and in visual interfaces for many other domains. #--- NODE -------------------------------------------------------------------------------------------- def deepcopy(o): # A color can be represented as a tuple or as a nodebox.graphics.Color object, # in which case it needs to be copied by invoking Color.copy(). if o is None: return o if hasattr(o, "copy"): return o.copy() if isinstance(o, (str, bool, int, float, complex)): return o if isinstance(o, (list, tuple, set)): return o.__class__(deepcopy(v) for v in o) if isinstance(o, dict): return dict((deepcopy(k), deepcopy(v)) for k,v in o.iteritems()) raise Exception("don't know how to copy %s" % o.__class__.__name__) class Node(object): def __init__(self, id="", radius=5, **kwargs): """ A node with a unique id in the graph. Node.id is drawn as a text label, unless optional parameter text=False. Optional parameters include: fill, stroke, strokewidth, text, font, fontsize, fontweight. """ self.graph = None self.links = Links() self.id = id self._x = 0.0 # Calculated by Graph.layout.update(). self._y = 0.0 # Calculated by Graph.layout.update(). self.force = Vector(0.0, 0.0) self.radius = radius self.fixed = kwargs.pop("fixed", False) self.fill = kwargs.pop("fill", None) self.stroke = kwargs.pop("stroke", (0,0,0,1)) self.strokewidth = kwargs.pop("strokewidth", 1) self.text = kwargs.get("text", True) and \ Text(isinstance(id, bytes) and id or str(id), width = 85, fill = kwargs.pop("text", (0,0,0,1)), fontsize = kwargs.pop("fontsize", 11), **kwargs) or None self._weight = None # Calculated by Graph.eigenvector_centrality(). self._centrality = None # Calculated by Graph.betweenness_centrality(). @property def _distance(self): # Graph.distance controls the (x,y) spacing between nodes. return self.graph and float(self.graph.distance) or 1.0 def _get_x(self): return self._x * self._distance def _get_y(self): return self._y * self._distance def _set_x(self, v): self._x = v / self._distance def _set_y(self, v): self._y = v / self._distance x = property(_get_x, _set_x) y = property(_get_y, _set_y) @property def edges(self): """ Yields a list of edges from/to the node. """ return self.graph is not None \ and [e for e in self.graph.edges if self.id in (e.node1.id, e.node2.id)] \ or [] @property def weight(self): """ Yields eigenvector centrality as a number between 0.0-1.0. """ if self.graph and self._weight is None: self.graph.eigenvector_centrality() return self._weight @property def centrality(self): """ Yields betweenness centrality as a number between 0.0-1.0. """ if self.graph and self._centrality is None: self.graph.betweenness_centrality() return self._centrality def flatten(self, depth=1, traversable=lambda node, edge: True, _visited=None): """ Recursively lists the node and nodes linked to it. Depth 0 returns a list with the node. Depth 1 returns a list with the node and all the directly linked nodes. Depth 2 includes the linked nodes' links, and so on. """ _visited = _visited or {} _visited[self.id] = (self, depth) if depth >= 1: for n in self.links: if n.id not in _visited or _visited[n.id][1] < depth-1: if traversable(self, self.links.edges[n.id]): n.flatten(depth-1, traversable, _visited) return [n for n,d in _visited.values()] # Fast, but not order-preserving. def draw(self, weighted=False): """ Draws the node as a circle with the given radius, fill, stroke and strokewidth. Draws the node centrality as a shadow effect when weighted=True. Draws the node text label. Override this method in a subclass for custom drawing. """ # Draw the node weight as a shadow (based on node betweenness centrality). if weighted is not False : w = 0.25 * 35 ellipse( self.x, self.y, self.radius*2 + w, self.radius*2 + w, fill=(0,0,0,0.2), stroke=None) # Draw the node. ellipse( self.x, self.y, self.radius*2, self.radius*2, fill=self.fill, stroke=self.stroke, strokewidth=self.strokewidth) # Draw the node text label. if self.text: self.text.draw( self.x + self.radius, self.y + self.radius) def contains(self, x, y): """ Returns True if the given coordinates (x, y) are inside the node radius. """ return abs(self.x - x) < self.radius*2 and \ abs(self.y - y) < self.radius*2 def __repr__(self): return "%s(id=%s)" % (self.__class__.__name__, repr(self.id)) def __eq__(self, node): return isinstance(node, Node) and self.id == node.id def __ne__(self, node): return not self.__eq__(node) class Links(list): def __init__(self): """ A list in which each node has an associated edge. The edge() method returns the edge for a given node id. """ self.edges = dict() def append(self, node, edge=None): if node.id not in self.edges: list.append(self, node) self.edges[node.id] = edge def remove(self, node): list.remove(self, node) self.edges.pop(node.id, None) def edge(self, node): return self.edges.get(isinstance(node, Node) and node.id or node) #--- EDGE -------------------------------------------------------------------------------------------- coordinates = lambda x, y, d, a: (x + d*cos(radians(a)), y + d*sin(radians(a))) class Edge(object): def __init__(self, node1, node2, weight=0.0, length=1.0, type=None, stroke=(0,0,0,1), strokewidth=1): """ A connection between two nodes. Its weight indicates the importance (not the cost) of the connection. Its type is useful in a semantic network (e.g. "is-a", "is-part-of", ...) """ self.node1 = node1 self.node2 = node2 self._weight = weight self.length = length self.type = type self.stroke = stroke self.strokewidth = strokewidth def _get_weight(self): return self._weight def _set_weight(self, v): self._weight = v # Clear cached adjacency map in the graph, since edge weights have changed. if self.node1.graph is not None: self.node1.graph._adjacency = None if self.node2.graph is not None: self.node2.graph._adjacency = None weight = property(_get_weight, _set_weight) def draw(self, weighted=False, directed=False): """ Draws the edge as a line with the given stroke and strokewidth (increased with Edge.weight). Override this method in a subclass for custom drawing. """ w = weighted and self.weight or 0 line( self.node1.x, self.node1.y, self.node2.x, self.node2.y, stroke=self.stroke, strokewidth=self.strokewidth+w) if directed: self.draw_arrow(stroke=self.stroke, strokewidth=self.strokewidth+w) def draw_arrow(self, **kwargs): """ Draws the direction of the edge as an arrow on the rim of the receiving node. """ x0, y0 = self.node1.x, self.node1.y x1, y1 = self.node2.x, self.node2.y # Find the edge's angle based on node1 and node2 position. a = degrees(atan2(y1-y0, x1-x0)) # The arrow points to node2's rim instead of it's center. r = self.node2.radius d = sqrt(pow(x1-x0, 2) + pow(y1-y0, 2)) x01, y01 = coordinates(x0, y0, d-r-1, a) # Find the two other arrow corners under the given angle. r = max(kwargs.get("strokewidth", 1) * 3, 6) dx1, dy1 = coordinates(x01, y01, -r, a-20) dx2, dy2 = coordinates(x01, y01, -r, a+20) line(x01, y01, dx1, dy1, **kwargs) line(x01, y01, dx2, dy2, **kwargs) line(dx1, dy1, dx2, dy2, **kwargs) def __repr__(self): return "%s(id1=%s, id2=%s)" % (self.__class__.__name__, repr(self.node1.id), repr(self.node2.id)) #--- GRAPH ------------------------------------------------------------------------------------------- # Return value of Graph.shortest_paths(). # Dictionary values can be accessed by Node as well as by node id. class nodedict(dict): def __init__(self, graph, *args, **kwargs): #dict.__init__(self, *args, **kwargs) self.graph = graph def __contains__(self, node): return dict.__contains__(self, self.graph.get(node, node)) def __getitem__(self, node): return dict.__getitem__(self, isinstance(node, Node) and node or self.graph[node]) def get(self, node, default=None): return dict.get(self, self.graph.get(node, node), default) def unique(list): u, b = [], {} for item in list: if item not in b: u.append(item); b[item]=True return u # Graph layouts: SPRING = "spring" # Graph node sort order: WEIGHT, CENTRALITY = "weight", "centrality" ALL = "all" class Graph(dict): def __init__(self, layout=SPRING, distance=10.0): """ A network of nodes connected by edges that can be drawn with a given layout. """ self.nodes = [] # List of Node objects. self.edges = [] # List of Edge objects. self.root = None self._adjacency = None # Cached adjacency() dict. self.layout = layout==SPRING and GraphSpringLayout(self) or GraphLayout(self) self.distance = distance def __getitem__(self, id): try: return dict.__getitem__(self, id) except KeyError: raise Exception("no node with id '%s' in graph" % id) def append(self, base, *args, **kwargs): """ Appends a Node or Edge to the graph: Graph.append(Node, id="rabbit"). """ kwargs["base"] = base if issubclass(base, Node): return self.add_node(*args, **kwargs) if issubclass(base, Edge): return self.add_edge(*args, **kwargs) def add_node(self, id, *args, **kwargs): """ Appends a new Node to the graph. An optional base parameter can be used to pass a subclass of Node. """ n = kwargs.pop("base", Node) n = isinstance(id, Node) and id or self.get(id) or n(id, *args, **kwargs) if n.id not in self: self.nodes.append(n) self[n.id] = n; n.graph = self self.root = kwargs.get("root", False) and n or self.root # Clear adjacency cache. self._adjacency = None return n def add_edge(self, id1, id2, *args, **kwargs): """ Appends a new Edge to the graph. An optional base parameter can be used to pass a subclass of Edge: Graph.add_edge("cold", "winter", base=IsPropertyOf) """ # Create nodes that are not yet part of the graph. n1 = self.add_node(id1) n2 = self.add_node(id2) # Creates an Edge instance. # If an edge (in the same direction) already exists, yields that edge instead. e1 = n1.links.edge(n2) if e1 and e1.node1 == n1 and e1.node2 == n2: return e1 e2 = kwargs.pop("base", Edge) e2 = e2(n1, n2, *args, **kwargs) self.edges.append(e2) # Synchronizes Node.links: # A.links.edge(B) yields edge A->B # B.links.edge(A) yields edge B->A n1.links.append(n2, edge=e2) n2.links.append(n1, edge=e1 or e2) # Clear adjacency cache. self._adjacency = None return e2 def remove(self, x): """ Removes the given Node (and all its edges) or Edge from the graph. Note: removing Edge a->b does not remove Edge b->a. """ if isinstance(x, Node) and x.id in self: self.pop(x.id) self.nodes.remove(x); x.graph = None # Remove all edges involving the given node. for e in list(self.edges): if x in (e.node1, e.node2): if x in e.node1.links: e.node1.links.remove(x) if x in e.node2.links: e.node2.links.remove(x) self.edges.remove(e) if isinstance(x, Edge): self.edges.remove(x) # Clear adjacency cache. self._adjacency = None def node(self, id): """ Returns the node in the graph with the given id. """ return self.get(id) def edge(self, id1, id2): """ Returns the edge between the nodes with given id1 and id2. """ return id1 in self and id2 in self and self[id1].links.edge(id2) or None def paths(self, node1, node2, length=4, path=[]): """ Returns a list of paths (shorter than or equal to given length) connecting the two nodes. """ if not isinstance(node1, Node): node1 = self[node1] if not isinstance(node2, Node): node2 = self[node2] return [[self[id] for id in p] for p in paths(self, node1.id, node2.id, length, path)] def shortest_path(self, node1, node2, heuristic=None, directed=False): """ Returns a list of nodes connecting the two nodes. """ if not isinstance(node1, Node): node1 = self[node1] if not isinstance(node2, Node): node2 = self[node2] try: p = dijkstra_shortest_path(self, node1.id, node2.id, heuristic, directed) p = [self[id] for id in p] return p except IndexError: return None def shortest_paths(self, node, heuristic=None, directed=False): """ Returns a dictionary of nodes, each linked to a list of nodes (shortest path). """ if not isinstance(node, Node): node = self[node] p = nodedict(self) for id, path in dijkstra_shortest_paths(self, node.id, heuristic, directed).iteritems(): p[self[id]] = path and [self[id] for id in path] or None return p def eigenvector_centrality(self, normalized=True, reversed=True, rating={}, iterations=100, tolerance=0.0001): """ Calculates eigenvector centrality and returns a node => weight dictionary. Node.weight is updated in the process. Node.weight is higher for nodes with a lot of (indirect) incoming traffic. """ ec = eigenvector_centrality(self, normalized, reversed, rating, iterations, tolerance) ec = nodedict(self, ((self[id], w) for id, w in ec.items())) for n, w in ec.items(): n._weight = w return ec def betweenness_centrality(self, normalized=True, directed=False): """ Calculates betweenness centrality and returns a node => weight dictionary. Node.centrality is updated in the process. Node.centrality is higher for nodes with a lot of passing traffic. """ bc = brandes_betweenness_centrality(self, normalized, directed) bc = nodedict(self, ((self[id], w) for id, w in bc.items())) for n, w in bc.items(): n._centrality = w return bc def sorted(self, order=WEIGHT, threshold=0.0): """ Returns a list of nodes sorted by WEIGHT or CENTRALITY. Nodes with a lot of traffic will be at the start of the list. """ o = lambda node: getattr(node, order) nodes = ((o(n), n) for n in self.nodes if o(n) >= threshold) nodes = reversed(sorted(nodes)) return [n for w, n in nodes] def prune(self, depth=0): """ Removes all nodes with less or equal links than depth. """ for n in (n for n in self.nodes if len(n.links) <= depth): self.remove(n) def fringe(self, depth=0): """ For depth=0, returns the list of leaf nodes (nodes with only one connection). For depth=1, returns the list of leaf nodes and their connected nodes, and so on. """ u = []; [u.extend(n.flatten(depth)) for n in self.nodes if len(n.links) == 1] return unique(u) @property def density(self): """ Yields the number of edges vs. the maximum number of possible edges. For example, <0.35 => sparse, >0.65 => dense, 1.0 => complete. """ return 2.0*len(self.edges) / (len(self.nodes) * (len(self.nodes)-1)) @property def is_complete(self): return self.density == 1.0 @property def is_dense(self): return self.density > 0.65 @property def is_sparse(self): return self.density < 0.35 def split(self): """ Returns the list of unconnected subgraphs. """ return partition(self) def update(self, iterations=10, **kwargs): """ Graph.layout.update() is called the given number of iterations. """ for i in range(iterations): self.layout.update(**kwargs) def draw(self, weighted=False, directed=False): """ Draws all nodes and edges. """ for e in self.edges: e.draw(weighted, directed) for n in reversed(self.nodes): # New nodes (with Node._weight=None) first. n.draw(weighted) def node_at(self, x, y): """ Returns the node at (x,y) or None. """ for n in self.nodes: if n.contains(x, y): return n def _add_node_copy(self, n, **kwargs): # Magical fairy dust to copy subclasses of Node. # We assume that the subclass constructor takes an optional "text" parameter # (Text objects in NodeBox for OpenGL's implementation are expensive). try: new = self.add_node(n.id, root=kwargs.get("root",False), text=False) except TypeError: new = self.add_node(n.id, root=kwargs.get("root",False)) new.__class__ = n.__class__ new.__dict__.update((k, deepcopy(v)) for k,v in n.__dict__.iteritems() if k not in ("graph", "links", "_x", "_y", "force", "_weight", "_centrality")) def _add_edge_copy(self, e, **kwargs): if kwargs.get("node1", e.node1).id not in self \ or kwargs.get("node2", e.node2).id not in self: return new = self.add_edge( kwargs.get("node1", self[e.node1.id]), kwargs.get("node2", self[e.node2.id])) new.__class__ = e.__class__ new.__dict__.update((k, deepcopy(v)) for k,v in e.__dict__.iteritems() if k not in ("node1", "node2")) def copy(self, nodes=ALL): """ Returns a copy of the graph with the given list of nodes (and connecting edges). The layout will be reset. """ g = Graph(layout=None, distance=self.distance) g.layout = self.layout.copy(graph=g) for n in (nodes==ALL and self.nodes or (isinstance(n, Node) and n or self[n] for n in nodes)): g._add_node_copy(n, root=self.root==n) for e in self.edges: g._add_edge_copy(e) return g #--- GRAPH LAYOUT ------------------------------------------------------------------------------------ # Graph drawing or graph layout, as a branch of graph theory, # applies topology and geometry to derive two-dimensional representations of graphs. class GraphLayout: def __init__(self, graph): """ Calculates node positions iteratively when GraphLayout.update() is called. """ self.graph = graph self.iterations = 0 def update(self): self.iterations += 1 def reset(self): self.iterations = 0 for n in self.graph.nodes: n._x = 0 n._y = 0 n.force = Vector(0,0) @property def bounds(self): """ Returns a (x, y, width, height)-tuple of the approximate layout dimensions. """ x0, y0 = +INFINITE, +INFINITE x1, y1 = -INFINITE, -INFINITE for n in self.graph.nodes: if (n.x < x0): x0 = n.x if (n.y < y0): y0 = n.y if (n.x > x1): x1 = n.x if (n.y > y1): y1 = n.y return (x0, y0, x1-x0, y1-y0) def copy(self, graph): return GraphLayout(self, graph) class GraphSpringLayout(GraphLayout): def __init__(self, graph): """ A force-based layout in which edges are regarded as springs. The forces are applied to the nodes, pulling them closer or pushing them apart. """ # Based on: http://snipplr.com/view/1950/graph-javascript-framework-version-001/ GraphLayout.__init__(self, graph) self.k = 4.0 # Force constant. self.force = 0.01 # Force multiplier. self.repulsion = 15 # Maximum repulsive force radius. def _distance(self, node1, node2): # Yields a tuple with distances (dx, dy, d, d**2). # Ensures that the distance is never zero (which deadlocks the animation). dx = node2._x - node1._x dy = node2._y - node1._y d2 = dx*dx + dy*dy if d2 < 0.01: dx = random() * 0.1 + 0.1 dy = random() * 0.1 + 0.1 d2 = dx*dx + dy*dy return dx, dy, sqrt(d2), d2 def _repulse(self, node1, node2): # Updates Node.force with the repulsive force. dx, dy, d, d2 = self._distance(node1, node2) if d < self.repulsion: f = self.k**2 / d2 node2.force.x += f * dx node2.force.y += f * dy node1.force.x -= f * dx node1.force.y -= f * dy def _attract(self, node1, node2, weight=0, length=1.0): # Updates Node.force with the attractive edge force. dx, dy, d, d2 = self._distance(node1, node2) d = min(d, self.repulsion) f = (d2 - self.k**2) / self.k * length f *= weight * 0.5 + 1 f /= d node2.force.x -= f * dx node2.force.y -= f * dy node1.force.x += f * dx node1.force.y += f * dy def update(self, weight=10.0, limit=0.5): """ Updates the position of nodes in the graph. The weight parameter determines the impact of edge weight. The limit parameter determines the maximum movement each update(). """ GraphLayout.update(self) # Forces on all nodes due to node-node repulsions. for i, n1 in enumerate(self.graph.nodes): for j, n2 in enumerate(self.graph.nodes[i+1:]): self._repulse(n1, n2) # Forces on nodes due to edge attractions. for e in self.graph.edges: self._attract(e.node1, e.node2, weight*e.weight, 1.0/(e.length or 0.01)) # Move nodes by given force. for n in self.graph.nodes: if not n.fixed: n._x += max(-limit, min(self.force * n.force.x, limit)) n._y += max(-limit, min(self.force * n.force.y, limit)) n.force.x = 0 n.force.y = 0 def copy(self, graph): g = GraphSpringLayout(graph) g.k, g.force, g.repulsion = self.k, self.force, self.repulsion return g #--- GRAPH TRAVERSAL --------------------------------------------------------------------------------- def depth_first_search(node, visit=lambda node: False, traversable=lambda node, edge: True, _visited=None): """ Visits all the nodes connected to the given root node, depth-first. The visit function is called on each node. Recursion will stop if it returns True, and subsequently dfs() will return True. The traversable function takes the current node and edge, and returns True if we are allowed to follow this connection to the next node. For example, the traversable for directed edges is follows: lambda node, edge: node == edge.node1 """ stop = visit(node) _visited = _visited or {} _visited[node.id] = True for n in node.links: if stop: return True if traversable(node, node.links.edge(n)) is False: continue if not n.id in _visited: stop = depth_first_search(n, visit, traversable, _visited) return stop dfs = depth_first_search; def breadth_first_search(node, visit=lambda node: False, traversable=lambda node, edge: True): """ Visits all the nodes connected to the given root node, breadth-first. """ q = [node] _visited = {} while q: node = q.pop(0) if not node.id in _visited: if visit(node): return True q.extend((n for n in node.links if traversable(node, node.links.edge(n)) is not False)) _visited[node.id] = True return False bfs = breadth_first_search; def paths(graph, id1, id2, length=4, path=[], _root=True): """ Returns a list of paths from node with id1 to node with id2. Only paths shorter than or equal to the given length are included. Uses a brute-force DFS approach (performance drops exponentially for longer paths). """ if len(path) >= length: return [] if id1 not in graph: return [] if id1 == id2: return [path + [id1]] path = path + [id1] p = [] s = set(path) # 5% speedup. for node in graph[id1].links: if node.id not in s: p.extend(paths(graph, node.id, id2, length, path, False)) return _root and sorted(p, key=len) or p def edges(path): """ Returns an iterator of Edge objects for the given list of nodes. It yields None where two successive nodes are not connected. """ # For example, the distance (i.e., edge weight sum) of a path: # sum(e.weight for e in edges(path)) return len(path) > 1 and (n.links.edge(path[i+1]) for i,n in enumerate(path[:-1])) or iter(()) #--- GRAPH THEORY ------------------------------------------------------------------------------------ def adjacency(graph, directed=False, reversed=False, stochastic=False, heuristic=None): """ Returns a dictionary indexed by node id1's, in which each value is a dictionary of connected node id2's linking to the edge weight. If directed=True, edges go from id1 to id2, but not the other way. If stochastic=True, all the weights for the neighbors of a given node sum to 1. A heuristic function can be given that takes two node id's and returns an additional cost for movement between the two nodes. """ # Caching a heuristic from a method won't work. # Bound method objects are transient, # i.e., id(object.method) returns a new value each time. if graph._adjacency is not None and \ graph._adjacency[1:] == (directed, reversed, stochastic, heuristic and id(heuristic)): return graph._adjacency[0] map = {} for n in graph.nodes: map[n.id] = {} for e in graph.edges: id1, id2 = not reversed and (e.node1.id, e.node2.id) or (e.node2.id, e.node1.id) map[id1][id2] = 1.0 - 0.5 * e.weight if heuristic: map[id1][id2] += heuristic(id1, id2) if not directed: map[id2][id1] = map[id1][id2] if stochastic: for id1 in map: n = sum(map[id1].values()) for id2 in map[id1]: map[id1][id2] /= n # Cache the adjacency map: this makes dijkstra_shortest_path() 2x faster in repeated use. graph._adjacency = (map, directed, reversed, stochastic, heuristic and id(heuristic)) return map def dijkstra_shortest_path(graph, id1, id2, heuristic=None, directed=False): """ Dijkstra algorithm for finding the shortest path between two nodes. Returns a list of node id's, starting with id1 and ending with id2. Raises an IndexError between nodes on unconnected graphs. """ # Based on: Connelly Barnes, http://aspn.activestate.com/ASPN/Cookbook/Python/Recipe/119466 def flatten(list): # Flattens a linked list of the form [0,[1,[2,[]]]] while len(list) > 0: yield list[0]; list=list[1] G = adjacency(graph, directed=directed, heuristic=heuristic) q = [(0, id1, ())] # Heap of (cost, path_head, path_rest). visited = set() # Visited nodes. while True: (cost1, n1, path) = heappop(q) if n1 not in visited: visited.add(n1) if n1 == id2: return list(flatten(path))[::-1] + [n1] path = (n1, path) for (n2, cost2) in G[n1].iteritems(): if n2 not in visited: heappush(q, (cost1 + cost2, n2, path)) def dijkstra_shortest_paths(graph, id, heuristic=None, directed=False): """ Dijkstra algorithm for finding the shortest paths from the given node to all other nodes. Returns a dictionary of node id's, each linking to a list of node id's (i.e., the path). """ # Based on: Dijkstra's algorithm for shortest paths modified from Eppstein. # Based on: NetworkX 1.4.1: Aric Hagberg, Dan Schult and Pieter Swart. # This is 5x faster than: # for n in g: dijkstra_shortest_path(g, id, n.id) W = adjacency(graph, directed=directed, heuristic=heuristic) Q = [] # Use Q as a heap with (distance, node id)-tuples. D = {} # Dictionary of final distances. P = {} # Dictionary of paths. P[id] = [id] seen = {id: 0} heappush(Q, (0, id)) while Q: (dist, v) = heappop(Q) if v in D: continue D[v] = dist for w in W[v].iterkeys(): vw_dist = D[v] + W[v][w] if w not in D and (w not in seen or vw_dist < seen[w]): seen[w] = vw_dist heappush(Q, (vw_dist, w)) P[w] = P[v] + [w] for n in graph: if n not in P: P[n]=None return P def floyd_warshall_all_pairs_distance(graph, heuristic=None, directed=False): """ Floyd-Warshall's algorithm for finding the path length for all pairs for nodes. Returns a dictionary of node id's, each linking to a dictionary of node id's linking to path length. """ from collections import defaultdict # Requires Python 2.5+. g = graph.keys() d = defaultdict(lambda: defaultdict(lambda: 1e30)) # float('inf') p = defaultdict(dict) # Predecessors. for e in graph.edges: u = e.node1.id v = e.node2.id w = 1.0 - 0.5 * e.weight w = heuristic and heuristic(u, v) + w or w d[u][v] = min(w, d[u][v]) d[u][u] = 0 p[u][v] = u if not directed: d[v][u] = min(w, d[v][u]) p[v][u] = v for w in g: dw = d[w] for u in g: du, duw = d[u], d[u][w] for v in g: # Performance optimization, assumes d[w][v] > 0. #if du[v] > duw + dw[v]: if du[v] > duw and du[v] > duw + dw[v]: d[u][v] = duw + dw[v] p[u][v] = p[w][v] class pdict(dict): def __init__(self, predecessors, *args, **kwargs): dict.__init__(self, *args, **kwargs) self.predecessors = predecessors return pdict(p, ((u, dict((v, w) for v,w in d[u].iteritems() if w < 1e30)) for u in d)) def predecessor_path(tree, u, v): """ Returns the path between node u and node v as a list of node id's. The given tree is the return value of floyd_warshall_all_pairs_distance().predecessors. """ def _traverse(u, v): w = tree[u][v] if w == u: return [] return _traverse(u,w) + [w] + _traverse(w,v) return [u] + _traverse(u,v) + [v] def brandes_betweenness_centrality(graph, normalized=True, directed=False): """ Betweenness centrality for nodes in the graph. Betweenness centrality is a measure of the number of shortests paths that pass through a node. Nodes in high-density areas will get a good score. """ # Ulrik Brandes, A Faster Algorithm for Betweenness Centrality, # Journal of Mathematical Sociology 25(2):163-177, 2001, # http://www.inf.uni-konstanz.de/algo/publications/b-fabc-01.pdf # Based on: Dijkstra's algorithm for shortest paths modified from Eppstein. # Based on: NetworkX 1.0.1: Aric Hagberg, Dan Schult and Pieter Swart. # http://python-networkx.sourcearchive.com/documentation/1.0.1/centrality_8py-source.html W = adjacency(graph, directed=directed) b = dict.fromkeys(graph, 0.0) for id in graph: Q = [] # Use Q as a heap with (distance, node id)-tuples. D = {} # Dictionary of final distances. P = {} # Dictionary of paths. for n in graph: P[n]=[] seen = {id: 0} heappush(Q, (0, id, id)) S = [] E = dict.fromkeys(graph, 0) # sigma E[id] = 1.0 while Q: (dist, pred, v) = heappop(Q) if v in D: continue D[v] = dist S.append(v) E[v] += E[pred] for w in W[v]: vw_dist = D[v] + W[v][w] if w not in D and (w not in seen or vw_dist < seen[w]): seen[w] = vw_dist heappush(Q, (vw_dist, v, w)) P[w] = [v] E[w] = 0.0 elif vw_dist == seen[w]: # Handle equal paths. P[w].append(v) E[w] += E[v] d = dict.fromkeys(graph, 0.0) for w in reversed(S): for v in P[w]: d[v] += (1.0 + d[w]) * E[v] / E[w] if w != id: b[w] += d[w] # Normalize between 0.0 and 1.0. m = normalized and max(b.values()) or 1 b = dict((id, w/m) for id, w in b.items()) return b def eigenvector_centrality(graph, normalized=True, reversed=True, rating={}, iterations=100, tolerance=0.0001): """ Eigenvector centrality for nodes in the graph (cfr. Google's PageRank). Eigenvector centrality is a measure of the importance of a node in a directed network. It rewards nodes with a high potential of (indirectly) connecting to high-scoring nodes. Nodes with no incoming connections have a score of zero. If you want to measure outgoing connections, reversed should be False. """ # Based on: NetworkX, Aric Hagberg (hagberg@lanl.gov) # http://python-networkx.sourcearchive.com/documentation/1.0.1/centrality_8py-source.html # Note: much faster than betweenness centrality (which grows exponentially). def normalize(vector): w = 1.0 / (sum(vector.values()) or 1) for node in vector: vector[node] *= w return vector G = adjacency(graph, directed=True, reversed=reversed) v = normalize(dict([(n, random()) for n in graph])) # Node ID => weight vector. # Eigenvector calculation using the power iteration method: y = Ax. # It has no guarantee of convergence. for i in range(iterations): v0 = v v = dict.fromkeys(v0.keys(), 0) for n1 in v: for n2 in G[n1]: v[n1] += 0.01 + v0[n2] * G[n1][n2] * rating.get(n1, 1) normalize(v) e = sum([abs(v[n]-v0[n]) for n in v]) # Check for convergence. if e < len(G) * tolerance: # Normalize between 0.0 and 1.0. m = normalized and max(v.values()) or 1 v = dict((id, w/m) for id, w in v.items()) return v warn("node weight is 0 because eigenvector_centrality() did not converge.", Warning) return dict((n, 0) for n in G) # a | b => all elements from a and all the elements from b. # a & b => elements that appear in a as well as in b. # a - b => elements that appear in a but not in b. def union(a, b): return list(set(a) | set(b)) def intersection(a, b): return list(set(a) & set(b)) def difference(a, b): return list(set(a) - set(b)) def partition(graph): """ Returns a list of unconnected subgraphs. """ # Creates clusters of nodes and directly connected nodes. # Iteratively merges two clusters if they overlap. g = [] for n in graph.nodes: g.append(dict.fromkeys((n.id for n in n.flatten()), True)) for i in reversed(range(len(g))): for j in reversed(range(i+1, len(g))): if g[i] and g[j] and len(intersection(g[i], g[j])) > 0: g[i] = union(g[i], g[j]) g[j] = [] g = [graph.copy(nodes=[graph[id] for id in n]) for n in g if n] g.sort(lambda a, b: len(b) - len(a)) return g #--- GRAPH THEORY | CLIQUE --------------------------------------------------------------------------- def is_clique(graph): """ A clique is a set of nodes in which each node is connected to all other nodes. """ #for n1 in graph.nodes: # for n2 in graph.nodes: # if n1 != n2 and graph.edge(n1.id, n2.id) is None: # return False return graph.density == 1.0 def clique(graph, id): """ Returns the largest possible clique for the node with given id. """ if isinstance(id, Node): id = id.id a = [id] for n in graph.nodes: try: # Raises StopIteration if all nodes in the clique are connected to n: (id for id in a if n.id==id or graph.edge(n.id, id) is None).next() except StopIteration: a.append(n.id) return a def cliques(graph, threshold=3): """ Returns all cliques in the graph with at least the given number of nodes. """ a = [] for n in graph.nodes: c = clique(graph, n.id) if len(c) >= threshold: c.sort() if c not in a: a.append(c) return a #--- GRAPH MAINTENANCE ------------------------------------------------------------------------------- # Utility commands for safe linking and unlinking of nodes, # with respect for the surrounding nodes. def unlink(graph, node1, node2=None): """ Removes the edges between node1 and node2. If only node1 is given, removes all edges to and from it. This does not remove node1 from the graph. """ if not isinstance(node1, Node): node1 = graph[node1] if not isinstance(node2, Node) and node2 is not None: node2 = graph[node2] for e in list(graph.edges): if node1 in (e.node1, e.node2) and node2 in (e.node1, e.node2, None): graph.edges.remove(e) try: node1.links.remove(node2) node2.links.remove(node1) except: # 'NoneType' object has no attribute 'links' pass def redirect(graph, node1, node2): """ Connects all of node1's edges to node2 and unlinks node1. """ if not isinstance(node1, Node): node1 = graph[node1] if not isinstance(node2, Node): node2 = graph[node2] for e in graph.edges: if node1 in (e.node1, e.node2): if e.node1 == node1 and e.node2 != node2: graph._add_edge_copy(e, node1=node2, node2=e.node2) if e.node2 == node1 and e.node1 != node2: graph._add_edge_copy(e, node1=e.node1, node2=node2) unlink(graph, node1) def cut(graph, node): """ Unlinks the given node, but keeps edges intact by connecting the surrounding nodes. If A, B, C, D are nodes and A->B, B->C, B->D, if we then cut B: A->C, A->D. """ if not isinstance(node, Node): node = graph[node] for e in graph.edges: if node in (e.node1, e.node2): for n in node.links: if e.node1 == node and e.node2 != n: graph._add_edge_copy(e, node1=n, node2=e.node2) if e.node2 == node and e.node1 != n: graph._add_edge_copy(e, node1=e.node1, node2=n) unlink(graph, node) def insert(graph, node, a, b): """ Inserts the given node between node a and node b. If A, B, C are nodes and A->B, if we then insert C: A->C, C->B. """ if not isinstance(node, Node): node = graph[node] if not isinstance(a, Node): a = graph[a] if not isinstance(b, Node): b = graph[b] for e in graph.edges: if e.node1 == a and e.node2 == b: graph._add_edge_copy(e, node1=a, node2=node) graph._add_edge_copy(e, node1=node, node2=b) if e.node1 == b and e.node2 == a: graph._add_edge_copy(e, node1=b, node2=node) graph._add_edge_copy(e, node1=node, node2=a) unlink(graph, a, b)
pepsipepsi/nodebox_opengl_python3
nodebox/graphics/physics.py
Python
bsd-3-clause
77,201
[ "VisIt" ]
c3d57ea8dabb8753f9f7fd5b578de89c6dbdc4047e97834554baf58aee3bd762
## ## Script that showcases a flight to the Hyades, proper motions and ## a zoom out of the galaxy ## from py4j.java_gateway import JavaGateway, GatewayParameters gateway = JavaGateway(gateway_parameters=GatewayParameters(auto_convert=True)) gs = gateway.entry_point ## PREPPING gs.disableInput() gs.cameraStop() gs.minimizeInterfaceWindow() gs.setSmoothLodTransitions(True) gs.setFov(60) gs.setRotationCameraSpeed(20) gs.setTurningCameraSpeed(20) gs.setCameraSpeed(20) gs.setSimulationPace(0) gs.setStarBrightness(40.0) gs.setStarSize(6.0) gs.setBrightnessLevel(0) gs.setContrastLevel(1) gs.setAmbientLight(0) gs.setBloom(0) gs.setMotionBlur(False) gs.setSaturationLevel(1.0) gs.setVisibility("element.clusters", False) gs.setVisibility("element.propermotions", False) gs.setRotationCameraSpeed(40) gs.setTurningCameraSpeed(30) gs.setCameraSpeed(30) gs.setVisibility('element.labels',False) gs.setVisibility('element.constellations',False) gs.setSimulationTime(2018,4,25,10,0,0,0) gs.setTurningCameraSpeed(10) gs.setRotationCameraSpeed(10) gs.setRotationCameraSpeed(20) gs.setTurningCameraSpeed(20) gs.setCameraSpeed(30) gs.setVisibility('element.labels',False) gs.setSaturationLevel(2) gs.setVisibility('element.planets',True) gs.setVisibility('element.moons',True) gs.setCinematicCamera(True) gs.setCameraFocusInstantAndGo("Sol") gs.sleep(2) gs.setCameraFocusInstant("Bellatrix") gs.sleep(2) gs.sleep(2) gs.setCameraLock(True) gs.setVisibility('element.labels',False) gs.setVisibility('element.planets',False) gs.setVisibility('element.constellations',True) gs.sleep(7) gs.setVisibility('element.planets',False) gs.setCameraFocus("78The2Tau") gs.sleep(3) gs.setVisibility('element.constellations',False) gs.setCameraSpeed(0.5) gs.sleep(5) gs.setVisibility("element.clusters", False) gs.goToObject("78The2Tau", 0.000007778, 25) gs.setSaturationLevel(1.7) gs.setCameraLock(True) gs.sleep(7) gs.startSimulationTime() def frange(x, y, jump): while x < y: yield x x += jump for speed in frange(0.0, 0.01, 0.00025): gs.cameraRotate(speed,0) gs.sleep(0.1) gs.sleep(20) gs.cameraStop() gs.setCameraLock(False) gs.setCameraFree() gs.sleep(5) gs.setProperMotionsNumberFactor(2000) gs.sleep(3) for pace in frange(.1e11, .5e12, .1e11): gs.setSimulationPace(pace) gs.sleep(0.1) gs.sleep(15) gs.cameraRotate(0.1, 0.0) gs.sleep(10) gs.setCameraSpeed(2.0) fwdval = 0.1 saturation = 2.0 for t in range(0, 500000): gs.cameraForward(-fwdval) gs.setSaturationLevel(saturation) gs.sleep(0.1) saturation -= 0.01 if saturation <= 1.0: saturation = 1.0 fwdval += 0.1 if fwdval >= 1.0: fwdval = 1.0 if gs.getDistanceTo("Sol") > 6622825900000000000: break gs.sleep(5) gs.cameraStop() gs.stopSimulationTime() gs.sleep(2) ## ## CLEAN UP AND FINISH ## gs.setFrameOutput(False) gs.enableInput() gs.maximizeInterfaceWindow() gs.setSimulationPace(1) gs.setStarBrightness(27.0) gs.setStarSize(8.0) gs.setRotationCameraSpeed(40) gs.setTurningCameraSpeed(24) gs.setCameraSpeed(40) gs.setBrightnessLevel(0) gs.setContrastLevel(1) gs.setAmbientLight(0) gs.setBloom(0) gs.setMotionBlur(False) gs.setFov(60) gs.setSaturationLevel(1.0) gs.setVisibility('element.planets',True) gs.setVisibility('element.moons',True) # close gateway gateway.close()
ari-zah/gaiasky
assets/scripts/showcases/flight-hyades-mw.py
Python
lgpl-3.0
3,340
[ "Galaxy" ]
f5ca800cf016e4491b67fbb77ce796a49ff8ba6d9bb1e302a38f7247de1e2a0f