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# Copyright 2009 New England Biolabs <davisp@neb.com> # # This file is part of the BioNEB package released # under the MIT license. # import re import stream class FastaRecord(object): def __init__(self, headers, seq): self.headers = headers self.seq = seq def __iter__(self): if isinstance(self.seq, basestring): raise ValueError("Sequence has already been parsed.") return self.seq def _getident(self): return self.headers[0][0] ident = property(_getident, doc="Return the first header's identity.") def _getdesc(self): return self.headers[0][1] desc = property(_getdesc, doc="Return the first header's description.") def parse(filename=None, handle=None, stream_seq=False): handle = stream.Stream(filename, handle) for line in handle: if line.lstrip()[:1] == ">": descs = parse_description(line.strip()) seqiter = parse_sequence(handle) if not stream_seq: seqiter = ''.join(list(seqiter)) yield FastaRecord(descs, seqiter) def parse_description(header): ret = [] if header[:1] != ">": raise ValueError("Invalid header has no '>': %s" % header) header = header[1:] if '\x01' in header: headers = header.split('\x01') else: headers = [header] for h in headers: bits = h.split(None, 1) if len(bits) == 1: ident, desc = bits[0], None else: ident, desc = bits ident = parse_idents(ident) ret.append((ident, desc)) return ret # As specified in the Blast book IDENT_TYPES = set("dbj emb gb gi ref pir prf sp pdb pat bbs lcl gnl".split()) def parse_idents(ident): bits = ident.split("|") if len(bits) == 1: return ident ret = {} while len(bits) > 0: itype = bits[0] parts = [] for b in bits[1:]: if b in IDENT_TYPES: break parts.append(b) bits = bits[len(parts)+1:] parts = filter(None, parts) if len(parts) == 1: parts = parts[0] if isinstance(ret.get(itype, None), list): ret[itype].append(parts) elif itype in ret: ret[itype] = [ret[itype], parts] else: ret[itype] = parts return ret def parse_sequence(handle): for line in handle: if line.lstrip()[:1] == ">": handle.undo(line) raise StopIteration() yield line.strip()
pombredanne/bioneb
bioneb/parsers/fasta.py
Python
mit
2,564
[ "BLAST" ]
c494318ab45e95c5cda9ebe03ac49f5bf72cbd248939713f1809ea6e46d6356c
# -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # 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. # import os import mock import grpc from grpc.experimental import aio import math import pytest from proto.marshal.rules.dates import DurationRule, TimestampRule from google.api_core import client_options from google.api_core import exceptions as core_exceptions from google.api_core import gapic_v1 from google.api_core import grpc_helpers from google.api_core import grpc_helpers_async from google.api_core import path_template from google.auth import credentials as ga_credentials from google.auth.exceptions import MutualTLSChannelError from google.cloud.dialogflowcx_v3.services.pages import PagesAsyncClient from google.cloud.dialogflowcx_v3.services.pages import PagesClient from google.cloud.dialogflowcx_v3.services.pages import pagers from google.cloud.dialogflowcx_v3.services.pages import transports from google.cloud.dialogflowcx_v3.types import fulfillment from google.cloud.dialogflowcx_v3.types import page from google.cloud.dialogflowcx_v3.types import page as gcdc_page from google.cloud.dialogflowcx_v3.types import response_message from google.oauth2 import service_account from google.protobuf import field_mask_pb2 # type: ignore from google.protobuf import struct_pb2 # type: ignore import google.auth def client_cert_source_callback(): return b"cert bytes", b"key bytes" # If default endpoint is localhost, then default mtls endpoint will be the same. # This method modifies the default endpoint so the client can produce a different # mtls endpoint for endpoint testing purposes. def modify_default_endpoint(client): return ( "foo.googleapis.com" if ("localhost" in client.DEFAULT_ENDPOINT) else client.DEFAULT_ENDPOINT ) def test__get_default_mtls_endpoint(): api_endpoint = "example.googleapis.com" api_mtls_endpoint = "example.mtls.googleapis.com" sandbox_endpoint = "example.sandbox.googleapis.com" sandbox_mtls_endpoint = "example.mtls.sandbox.googleapis.com" non_googleapi = "api.example.com" assert PagesClient._get_default_mtls_endpoint(None) is None assert PagesClient._get_default_mtls_endpoint(api_endpoint) == api_mtls_endpoint assert ( PagesClient._get_default_mtls_endpoint(api_mtls_endpoint) == api_mtls_endpoint ) assert ( PagesClient._get_default_mtls_endpoint(sandbox_endpoint) == sandbox_mtls_endpoint ) assert ( PagesClient._get_default_mtls_endpoint(sandbox_mtls_endpoint) == sandbox_mtls_endpoint ) assert PagesClient._get_default_mtls_endpoint(non_googleapi) == non_googleapi @pytest.mark.parametrize("client_class", [PagesClient, PagesAsyncClient,]) def test_pages_client_from_service_account_info(client_class): creds = ga_credentials.AnonymousCredentials() with mock.patch.object( service_account.Credentials, "from_service_account_info" ) as factory: factory.return_value = creds info = {"valid": True} client = client_class.from_service_account_info(info) assert client.transport._credentials == creds assert isinstance(client, client_class) assert client.transport._host == "dialogflow.googleapis.com:443" @pytest.mark.parametrize( "transport_class,transport_name", [ (transports.PagesGrpcTransport, "grpc"), (transports.PagesGrpcAsyncIOTransport, "grpc_asyncio"), ], ) def test_pages_client_service_account_always_use_jwt(transport_class, transport_name): with mock.patch.object( service_account.Credentials, "with_always_use_jwt_access", create=True ) as use_jwt: creds = service_account.Credentials(None, None, None) transport = transport_class(credentials=creds, always_use_jwt_access=True) use_jwt.assert_called_once_with(True) with mock.patch.object( service_account.Credentials, "with_always_use_jwt_access", create=True ) as use_jwt: creds = service_account.Credentials(None, None, None) transport = transport_class(credentials=creds, always_use_jwt_access=False) use_jwt.assert_not_called() @pytest.mark.parametrize("client_class", [PagesClient, PagesAsyncClient,]) def test_pages_client_from_service_account_file(client_class): creds = ga_credentials.AnonymousCredentials() with mock.patch.object( service_account.Credentials, "from_service_account_file" ) as factory: factory.return_value = creds client = client_class.from_service_account_file("dummy/file/path.json") assert client.transport._credentials == creds assert isinstance(client, client_class) client = client_class.from_service_account_json("dummy/file/path.json") assert client.transport._credentials == creds assert isinstance(client, client_class) assert client.transport._host == "dialogflow.googleapis.com:443" def test_pages_client_get_transport_class(): transport = PagesClient.get_transport_class() available_transports = [ transports.PagesGrpcTransport, ] assert transport in available_transports transport = PagesClient.get_transport_class("grpc") assert transport == transports.PagesGrpcTransport @pytest.mark.parametrize( "client_class,transport_class,transport_name", [ (PagesClient, transports.PagesGrpcTransport, "grpc"), (PagesAsyncClient, transports.PagesGrpcAsyncIOTransport, "grpc_asyncio"), ], ) @mock.patch.object( PagesClient, "DEFAULT_ENDPOINT", modify_default_endpoint(PagesClient) ) @mock.patch.object( PagesAsyncClient, "DEFAULT_ENDPOINT", modify_default_endpoint(PagesAsyncClient) ) def test_pages_client_client_options(client_class, transport_class, transport_name): # Check that if channel is provided we won't create a new one. with mock.patch.object(PagesClient, "get_transport_class") as gtc: transport = transport_class(credentials=ga_credentials.AnonymousCredentials()) client = client_class(transport=transport) gtc.assert_not_called() # Check that if channel is provided via str we will create a new one. with mock.patch.object(PagesClient, "get_transport_class") as gtc: client = client_class(transport=transport_name) gtc.assert_called() # Check the case api_endpoint is provided. options = client_options.ClientOptions(api_endpoint="squid.clam.whelk") with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(transport=transport_name, client_options=options) patched.assert_called_once_with( credentials=None, credentials_file=None, host="squid.clam.whelk", scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) # Check the case api_endpoint is not provided and GOOGLE_API_USE_MTLS_ENDPOINT is # "never". with mock.patch.dict(os.environ, {"GOOGLE_API_USE_MTLS_ENDPOINT": "never"}): with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file=None, host=client.DEFAULT_ENDPOINT, scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) # Check the case api_endpoint is not provided and GOOGLE_API_USE_MTLS_ENDPOINT is # "always". with mock.patch.dict(os.environ, {"GOOGLE_API_USE_MTLS_ENDPOINT": "always"}): with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file=None, host=client.DEFAULT_MTLS_ENDPOINT, scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) # Check the case api_endpoint is not provided and GOOGLE_API_USE_MTLS_ENDPOINT has # unsupported value. with mock.patch.dict(os.environ, {"GOOGLE_API_USE_MTLS_ENDPOINT": "Unsupported"}): with pytest.raises(MutualTLSChannelError): client = client_class(transport=transport_name) # Check the case GOOGLE_API_USE_CLIENT_CERTIFICATE has unsupported value. with mock.patch.dict( os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": "Unsupported"} ): with pytest.raises(ValueError): client = client_class(transport=transport_name) # Check the case quota_project_id is provided options = client_options.ClientOptions(quota_project_id="octopus") with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(client_options=options, transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file=None, host=client.DEFAULT_ENDPOINT, scopes=None, client_cert_source_for_mtls=None, quota_project_id="octopus", client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) @pytest.mark.parametrize( "client_class,transport_class,transport_name,use_client_cert_env", [ (PagesClient, transports.PagesGrpcTransport, "grpc", "true"), ( PagesAsyncClient, transports.PagesGrpcAsyncIOTransport, "grpc_asyncio", "true", ), (PagesClient, transports.PagesGrpcTransport, "grpc", "false"), ( PagesAsyncClient, transports.PagesGrpcAsyncIOTransport, "grpc_asyncio", "false", ), ], ) @mock.patch.object( PagesClient, "DEFAULT_ENDPOINT", modify_default_endpoint(PagesClient) ) @mock.patch.object( PagesAsyncClient, "DEFAULT_ENDPOINT", modify_default_endpoint(PagesAsyncClient) ) @mock.patch.dict(os.environ, {"GOOGLE_API_USE_MTLS_ENDPOINT": "auto"}) def test_pages_client_mtls_env_auto( client_class, transport_class, transport_name, use_client_cert_env ): # This tests the endpoint autoswitch behavior. Endpoint is autoswitched to the default # mtls endpoint, if GOOGLE_API_USE_CLIENT_CERTIFICATE is "true" and client cert exists. # Check the case client_cert_source is provided. Whether client cert is used depends on # GOOGLE_API_USE_CLIENT_CERTIFICATE value. with mock.patch.dict( os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": use_client_cert_env} ): options = client_options.ClientOptions( client_cert_source=client_cert_source_callback ) with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(client_options=options, transport=transport_name) if use_client_cert_env == "false": expected_client_cert_source = None expected_host = client.DEFAULT_ENDPOINT else: expected_client_cert_source = client_cert_source_callback expected_host = client.DEFAULT_MTLS_ENDPOINT patched.assert_called_once_with( credentials=None, credentials_file=None, host=expected_host, scopes=None, client_cert_source_for_mtls=expected_client_cert_source, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) # Check the case ADC client cert is provided. Whether client cert is used depends on # GOOGLE_API_USE_CLIENT_CERTIFICATE value. with mock.patch.dict( os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": use_client_cert_env} ): with mock.patch.object(transport_class, "__init__") as patched: with mock.patch( "google.auth.transport.mtls.has_default_client_cert_source", return_value=True, ): with mock.patch( "google.auth.transport.mtls.default_client_cert_source", return_value=client_cert_source_callback, ): if use_client_cert_env == "false": expected_host = client.DEFAULT_ENDPOINT expected_client_cert_source = None else: expected_host = client.DEFAULT_MTLS_ENDPOINT expected_client_cert_source = client_cert_source_callback patched.return_value = None client = client_class(transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file=None, host=expected_host, scopes=None, client_cert_source_for_mtls=expected_client_cert_source, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) # Check the case client_cert_source and ADC client cert are not provided. with mock.patch.dict( os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": use_client_cert_env} ): with mock.patch.object(transport_class, "__init__") as patched: with mock.patch( "google.auth.transport.mtls.has_default_client_cert_source", return_value=False, ): patched.return_value = None client = client_class(transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file=None, host=client.DEFAULT_ENDPOINT, scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) @pytest.mark.parametrize("client_class", [PagesClient, PagesAsyncClient]) @mock.patch.object( PagesClient, "DEFAULT_ENDPOINT", modify_default_endpoint(PagesClient) ) @mock.patch.object( PagesAsyncClient, "DEFAULT_ENDPOINT", modify_default_endpoint(PagesAsyncClient) ) def test_pages_client_get_mtls_endpoint_and_cert_source(client_class): mock_client_cert_source = mock.Mock() # Test the case GOOGLE_API_USE_CLIENT_CERTIFICATE is "true". with mock.patch.dict(os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": "true"}): mock_api_endpoint = "foo" options = client_options.ClientOptions( client_cert_source=mock_client_cert_source, api_endpoint=mock_api_endpoint ) api_endpoint, cert_source = client_class.get_mtls_endpoint_and_cert_source( options ) assert api_endpoint == mock_api_endpoint assert cert_source == mock_client_cert_source # Test the case GOOGLE_API_USE_CLIENT_CERTIFICATE is "false". with mock.patch.dict(os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": "false"}): mock_client_cert_source = mock.Mock() mock_api_endpoint = "foo" options = client_options.ClientOptions( client_cert_source=mock_client_cert_source, api_endpoint=mock_api_endpoint ) api_endpoint, cert_source = client_class.get_mtls_endpoint_and_cert_source( options ) assert api_endpoint == mock_api_endpoint assert cert_source is None # Test the case GOOGLE_API_USE_MTLS_ENDPOINT is "never". with mock.patch.dict(os.environ, {"GOOGLE_API_USE_MTLS_ENDPOINT": "never"}): api_endpoint, cert_source = client_class.get_mtls_endpoint_and_cert_source() assert api_endpoint == client_class.DEFAULT_ENDPOINT assert cert_source is None # Test the case GOOGLE_API_USE_MTLS_ENDPOINT is "always". with mock.patch.dict(os.environ, {"GOOGLE_API_USE_MTLS_ENDPOINT": "always"}): api_endpoint, cert_source = client_class.get_mtls_endpoint_and_cert_source() assert api_endpoint == client_class.DEFAULT_MTLS_ENDPOINT assert cert_source is None # Test the case GOOGLE_API_USE_MTLS_ENDPOINT is "auto" and default cert doesn't exist. with mock.patch.dict(os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": "true"}): with mock.patch( "google.auth.transport.mtls.has_default_client_cert_source", return_value=False, ): api_endpoint, cert_source = client_class.get_mtls_endpoint_and_cert_source() assert api_endpoint == client_class.DEFAULT_ENDPOINT assert cert_source is None # Test the case GOOGLE_API_USE_MTLS_ENDPOINT is "auto" and default cert exists. with mock.patch.dict(os.environ, {"GOOGLE_API_USE_CLIENT_CERTIFICATE": "true"}): with mock.patch( "google.auth.transport.mtls.has_default_client_cert_source", return_value=True, ): with mock.patch( "google.auth.transport.mtls.default_client_cert_source", return_value=mock_client_cert_source, ): ( api_endpoint, cert_source, ) = client_class.get_mtls_endpoint_and_cert_source() assert api_endpoint == client_class.DEFAULT_MTLS_ENDPOINT assert cert_source == mock_client_cert_source @pytest.mark.parametrize( "client_class,transport_class,transport_name", [ (PagesClient, transports.PagesGrpcTransport, "grpc"), (PagesAsyncClient, transports.PagesGrpcAsyncIOTransport, "grpc_asyncio"), ], ) def test_pages_client_client_options_scopes( client_class, transport_class, transport_name ): # Check the case scopes are provided. options = client_options.ClientOptions(scopes=["1", "2"],) with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(client_options=options, transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file=None, host=client.DEFAULT_ENDPOINT, scopes=["1", "2"], client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) @pytest.mark.parametrize( "client_class,transport_class,transport_name,grpc_helpers", [ (PagesClient, transports.PagesGrpcTransport, "grpc", grpc_helpers), ( PagesAsyncClient, transports.PagesGrpcAsyncIOTransport, "grpc_asyncio", grpc_helpers_async, ), ], ) def test_pages_client_client_options_credentials_file( client_class, transport_class, transport_name, grpc_helpers ): # Check the case credentials file is provided. options = client_options.ClientOptions(credentials_file="credentials.json") with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(client_options=options, transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file="credentials.json", host=client.DEFAULT_ENDPOINT, scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) def test_pages_client_client_options_from_dict(): with mock.patch( "google.cloud.dialogflowcx_v3.services.pages.transports.PagesGrpcTransport.__init__" ) as grpc_transport: grpc_transport.return_value = None client = PagesClient(client_options={"api_endpoint": "squid.clam.whelk"}) grpc_transport.assert_called_once_with( credentials=None, credentials_file=None, host="squid.clam.whelk", scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) @pytest.mark.parametrize( "client_class,transport_class,transport_name,grpc_helpers", [ (PagesClient, transports.PagesGrpcTransport, "grpc", grpc_helpers), ( PagesAsyncClient, transports.PagesGrpcAsyncIOTransport, "grpc_asyncio", grpc_helpers_async, ), ], ) def test_pages_client_create_channel_credentials_file( client_class, transport_class, transport_name, grpc_helpers ): # Check the case credentials file is provided. options = client_options.ClientOptions(credentials_file="credentials.json") with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(client_options=options, transport=transport_name) patched.assert_called_once_with( credentials=None, credentials_file="credentials.json", host=client.DEFAULT_ENDPOINT, scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, ) # test that the credentials from file are saved and used as the credentials. with mock.patch.object( google.auth, "load_credentials_from_file", autospec=True ) as load_creds, mock.patch.object( google.auth, "default", autospec=True ) as adc, mock.patch.object( grpc_helpers, "create_channel" ) as create_channel: creds = ga_credentials.AnonymousCredentials() file_creds = ga_credentials.AnonymousCredentials() load_creds.return_value = (file_creds, None) adc.return_value = (creds, None) client = client_class(client_options=options, transport=transport_name) create_channel.assert_called_with( "dialogflow.googleapis.com:443", credentials=file_creds, credentials_file=None, quota_project_id=None, default_scopes=( "https://www.googleapis.com/auth/cloud-platform", "https://www.googleapis.com/auth/dialogflow", ), scopes=None, default_host="dialogflow.googleapis.com", ssl_credentials=None, options=[ ("grpc.max_send_message_length", -1), ("grpc.max_receive_message_length", -1), ], ) @pytest.mark.parametrize("request_type", [page.ListPagesRequest, dict,]) def test_list_pages(request_type, transport: str = "grpc"): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = page.ListPagesResponse( next_page_token="next_page_token_value", ) response = client.list_pages(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == page.ListPagesRequest() # Establish that the response is the type that we expect. assert isinstance(response, pagers.ListPagesPager) assert response.next_page_token == "next_page_token_value" def test_list_pages_empty_call(): # This test is a coverage failsafe to make sure that totally empty calls, # i.e. request == None and no flattened fields passed, work. client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport="grpc", ) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: client.list_pages() call.assert_called() _, args, _ = call.mock_calls[0] assert args[0] == page.ListPagesRequest() @pytest.mark.asyncio async def test_list_pages_async( transport: str = "grpc_asyncio", request_type=page.ListPagesRequest ): client = PagesAsyncClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = grpc_helpers_async.FakeUnaryUnaryCall( page.ListPagesResponse(next_page_token="next_page_token_value",) ) response = await client.list_pages(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == page.ListPagesRequest() # Establish that the response is the type that we expect. assert isinstance(response, pagers.ListPagesAsyncPager) assert response.next_page_token == "next_page_token_value" @pytest.mark.asyncio async def test_list_pages_async_from_dict(): await test_list_pages_async(request_type=dict) def test_list_pages_field_headers(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = page.ListPagesRequest() request.parent = "parent/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: call.return_value = page.ListPagesResponse() client.list_pages(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "parent=parent/value",) in kw["metadata"] @pytest.mark.asyncio async def test_list_pages_field_headers_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = page.ListPagesRequest() request.parent = "parent/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: call.return_value = grpc_helpers_async.FakeUnaryUnaryCall( page.ListPagesResponse() ) await client.list_pages(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "parent=parent/value",) in kw["metadata"] def test_list_pages_flattened(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = page.ListPagesResponse() # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. client.list_pages(parent="parent_value",) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] arg = args[0].parent mock_val = "parent_value" assert arg == mock_val def test_list_pages_flattened_error(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): client.list_pages( page.ListPagesRequest(), parent="parent_value", ) @pytest.mark.asyncio async def test_list_pages_flattened_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = page.ListPagesResponse() call.return_value = grpc_helpers_async.FakeUnaryUnaryCall( page.ListPagesResponse() ) # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. response = await client.list_pages(parent="parent_value",) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] arg = args[0].parent mock_val = "parent_value" assert arg == mock_val @pytest.mark.asyncio async def test_list_pages_flattened_error_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): await client.list_pages( page.ListPagesRequest(), parent="parent_value", ) def test_list_pages_pager(transport_name: str = "grpc"): client = PagesClient( credentials=ga_credentials.AnonymousCredentials, transport=transport_name, ) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: # Set the response to a series of pages. call.side_effect = ( page.ListPagesResponse( pages=[page.Page(), page.Page(), page.Page(),], next_page_token="abc", ), page.ListPagesResponse(pages=[], next_page_token="def",), page.ListPagesResponse(pages=[page.Page(),], next_page_token="ghi",), page.ListPagesResponse(pages=[page.Page(), page.Page(),],), RuntimeError, ) metadata = () metadata = tuple(metadata) + ( gapic_v1.routing_header.to_grpc_metadata((("parent", ""),)), ) pager = client.list_pages(request={}) assert pager._metadata == metadata results = [i for i in pager] assert len(results) == 6 assert all(isinstance(i, page.Page) for i in results) def test_list_pages_pages(transport_name: str = "grpc"): client = PagesClient( credentials=ga_credentials.AnonymousCredentials, transport=transport_name, ) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.list_pages), "__call__") as call: # Set the response to a series of pages. call.side_effect = ( page.ListPagesResponse( pages=[page.Page(), page.Page(), page.Page(),], next_page_token="abc", ), page.ListPagesResponse(pages=[], next_page_token="def",), page.ListPagesResponse(pages=[page.Page(),], next_page_token="ghi",), page.ListPagesResponse(pages=[page.Page(), page.Page(),],), RuntimeError, ) pages = list(client.list_pages(request={}).pages) for page_, token in zip(pages, ["abc", "def", "ghi", ""]): assert page_.raw_page.next_page_token == token @pytest.mark.asyncio async def test_list_pages_async_pager(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials,) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object( type(client.transport.list_pages), "__call__", new_callable=mock.AsyncMock ) as call: # Set the response to a series of pages. call.side_effect = ( page.ListPagesResponse( pages=[page.Page(), page.Page(), page.Page(),], next_page_token="abc", ), page.ListPagesResponse(pages=[], next_page_token="def",), page.ListPagesResponse(pages=[page.Page(),], next_page_token="ghi",), page.ListPagesResponse(pages=[page.Page(), page.Page(),],), RuntimeError, ) async_pager = await client.list_pages(request={},) assert async_pager.next_page_token == "abc" responses = [] async for response in async_pager: responses.append(response) assert len(responses) == 6 assert all(isinstance(i, page.Page) for i in responses) @pytest.mark.asyncio async def test_list_pages_async_pages(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials,) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object( type(client.transport.list_pages), "__call__", new_callable=mock.AsyncMock ) as call: # Set the response to a series of pages. call.side_effect = ( page.ListPagesResponse( pages=[page.Page(), page.Page(), page.Page(),], next_page_token="abc", ), page.ListPagesResponse(pages=[], next_page_token="def",), page.ListPagesResponse(pages=[page.Page(),], next_page_token="ghi",), page.ListPagesResponse(pages=[page.Page(), page.Page(),],), RuntimeError, ) pages = [] async for page_ in (await client.list_pages(request={})).pages: pages.append(page_) for page_, token in zip(pages, ["abc", "def", "ghi", ""]): assert page_.raw_page.next_page_token == token @pytest.mark.parametrize("request_type", [page.GetPageRequest, dict,]) def test_get_page(request_type, transport: str = "grpc"): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.get_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = page.Page( name="name_value", display_name="display_name_value", transition_route_groups=["transition_route_groups_value"], ) response = client.get_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == page.GetPageRequest() # Establish that the response is the type that we expect. assert isinstance(response, page.Page) assert response.name == "name_value" assert response.display_name == "display_name_value" assert response.transition_route_groups == ["transition_route_groups_value"] def test_get_page_empty_call(): # This test is a coverage failsafe to make sure that totally empty calls, # i.e. request == None and no flattened fields passed, work. client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport="grpc", ) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.get_page), "__call__") as call: client.get_page() call.assert_called() _, args, _ = call.mock_calls[0] assert args[0] == page.GetPageRequest() @pytest.mark.asyncio async def test_get_page_async( transport: str = "grpc_asyncio", request_type=page.GetPageRequest ): client = PagesAsyncClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.get_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = grpc_helpers_async.FakeUnaryUnaryCall( page.Page( name="name_value", display_name="display_name_value", transition_route_groups=["transition_route_groups_value"], ) ) response = await client.get_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == page.GetPageRequest() # Establish that the response is the type that we expect. assert isinstance(response, page.Page) assert response.name == "name_value" assert response.display_name == "display_name_value" assert response.transition_route_groups == ["transition_route_groups_value"] @pytest.mark.asyncio async def test_get_page_async_from_dict(): await test_get_page_async(request_type=dict) def test_get_page_field_headers(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = page.GetPageRequest() request.name = "name/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.get_page), "__call__") as call: call.return_value = page.Page() client.get_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "name=name/value",) in kw["metadata"] @pytest.mark.asyncio async def test_get_page_field_headers_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = page.GetPageRequest() request.name = "name/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.get_page), "__call__") as call: call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(page.Page()) await client.get_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "name=name/value",) in kw["metadata"] def test_get_page_flattened(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.get_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = page.Page() # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. client.get_page(name="name_value",) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] arg = args[0].name mock_val = "name_value" assert arg == mock_val def test_get_page_flattened_error(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): client.get_page( page.GetPageRequest(), name="name_value", ) @pytest.mark.asyncio async def test_get_page_flattened_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.get_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = page.Page() call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(page.Page()) # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. response = await client.get_page(name="name_value",) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] arg = args[0].name mock_val = "name_value" assert arg == mock_val @pytest.mark.asyncio async def test_get_page_flattened_error_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): await client.get_page( page.GetPageRequest(), name="name_value", ) @pytest.mark.parametrize("request_type", [gcdc_page.CreatePageRequest, dict,]) def test_create_page(request_type, transport: str = "grpc"): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.create_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = gcdc_page.Page( name="name_value", display_name="display_name_value", transition_route_groups=["transition_route_groups_value"], ) response = client.create_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == gcdc_page.CreatePageRequest() # Establish that the response is the type that we expect. assert isinstance(response, gcdc_page.Page) assert response.name == "name_value" assert response.display_name == "display_name_value" assert response.transition_route_groups == ["transition_route_groups_value"] def test_create_page_empty_call(): # This test is a coverage failsafe to make sure that totally empty calls, # i.e. request == None and no flattened fields passed, work. client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport="grpc", ) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.create_page), "__call__") as call: client.create_page() call.assert_called() _, args, _ = call.mock_calls[0] assert args[0] == gcdc_page.CreatePageRequest() @pytest.mark.asyncio async def test_create_page_async( transport: str = "grpc_asyncio", request_type=gcdc_page.CreatePageRequest ): client = PagesAsyncClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.create_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = grpc_helpers_async.FakeUnaryUnaryCall( gcdc_page.Page( name="name_value", display_name="display_name_value", transition_route_groups=["transition_route_groups_value"], ) ) response = await client.create_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == gcdc_page.CreatePageRequest() # Establish that the response is the type that we expect. assert isinstance(response, gcdc_page.Page) assert response.name == "name_value" assert response.display_name == "display_name_value" assert response.transition_route_groups == ["transition_route_groups_value"] @pytest.mark.asyncio async def test_create_page_async_from_dict(): await test_create_page_async(request_type=dict) def test_create_page_field_headers(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = gcdc_page.CreatePageRequest() request.parent = "parent/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.create_page), "__call__") as call: call.return_value = gcdc_page.Page() client.create_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "parent=parent/value",) in kw["metadata"] @pytest.mark.asyncio async def test_create_page_field_headers_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = gcdc_page.CreatePageRequest() request.parent = "parent/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.create_page), "__call__") as call: call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(gcdc_page.Page()) await client.create_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "parent=parent/value",) in kw["metadata"] def test_create_page_flattened(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.create_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = gcdc_page.Page() # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. client.create_page( parent="parent_value", page=gcdc_page.Page(name="name_value"), ) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] arg = args[0].parent mock_val = "parent_value" assert arg == mock_val arg = args[0].page mock_val = gcdc_page.Page(name="name_value") assert arg == mock_val def test_create_page_flattened_error(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): client.create_page( gcdc_page.CreatePageRequest(), parent="parent_value", page=gcdc_page.Page(name="name_value"), ) @pytest.mark.asyncio async def test_create_page_flattened_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.create_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = gcdc_page.Page() call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(gcdc_page.Page()) # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. response = await client.create_page( parent="parent_value", page=gcdc_page.Page(name="name_value"), ) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] arg = args[0].parent mock_val = "parent_value" assert arg == mock_val arg = args[0].page mock_val = gcdc_page.Page(name="name_value") assert arg == mock_val @pytest.mark.asyncio async def test_create_page_flattened_error_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): await client.create_page( gcdc_page.CreatePageRequest(), parent="parent_value", page=gcdc_page.Page(name="name_value"), ) @pytest.mark.parametrize("request_type", [gcdc_page.UpdatePageRequest, dict,]) def test_update_page(request_type, transport: str = "grpc"): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.update_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = gcdc_page.Page( name="name_value", display_name="display_name_value", transition_route_groups=["transition_route_groups_value"], ) response = client.update_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == gcdc_page.UpdatePageRequest() # Establish that the response is the type that we expect. assert isinstance(response, gcdc_page.Page) assert response.name == "name_value" assert response.display_name == "display_name_value" assert response.transition_route_groups == ["transition_route_groups_value"] def test_update_page_empty_call(): # This test is a coverage failsafe to make sure that totally empty calls, # i.e. request == None and no flattened fields passed, work. client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport="grpc", ) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.update_page), "__call__") as call: client.update_page() call.assert_called() _, args, _ = call.mock_calls[0] assert args[0] == gcdc_page.UpdatePageRequest() @pytest.mark.asyncio async def test_update_page_async( transport: str = "grpc_asyncio", request_type=gcdc_page.UpdatePageRequest ): client = PagesAsyncClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.update_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = grpc_helpers_async.FakeUnaryUnaryCall( gcdc_page.Page( name="name_value", display_name="display_name_value", transition_route_groups=["transition_route_groups_value"], ) ) response = await client.update_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == gcdc_page.UpdatePageRequest() # Establish that the response is the type that we expect. assert isinstance(response, gcdc_page.Page) assert response.name == "name_value" assert response.display_name == "display_name_value" assert response.transition_route_groups == ["transition_route_groups_value"] @pytest.mark.asyncio async def test_update_page_async_from_dict(): await test_update_page_async(request_type=dict) def test_update_page_field_headers(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = gcdc_page.UpdatePageRequest() request.page.name = "page.name/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.update_page), "__call__") as call: call.return_value = gcdc_page.Page() client.update_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "page.name=page.name/value",) in kw["metadata"] @pytest.mark.asyncio async def test_update_page_field_headers_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = gcdc_page.UpdatePageRequest() request.page.name = "page.name/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.update_page), "__call__") as call: call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(gcdc_page.Page()) await client.update_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "page.name=page.name/value",) in kw["metadata"] def test_update_page_flattened(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.update_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = gcdc_page.Page() # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. client.update_page( page=gcdc_page.Page(name="name_value"), update_mask=field_mask_pb2.FieldMask(paths=["paths_value"]), ) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] arg = args[0].page mock_val = gcdc_page.Page(name="name_value") assert arg == mock_val arg = args[0].update_mask mock_val = field_mask_pb2.FieldMask(paths=["paths_value"]) assert arg == mock_val def test_update_page_flattened_error(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): client.update_page( gcdc_page.UpdatePageRequest(), page=gcdc_page.Page(name="name_value"), update_mask=field_mask_pb2.FieldMask(paths=["paths_value"]), ) @pytest.mark.asyncio async def test_update_page_flattened_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.update_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = gcdc_page.Page() call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(gcdc_page.Page()) # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. response = await client.update_page( page=gcdc_page.Page(name="name_value"), update_mask=field_mask_pb2.FieldMask(paths=["paths_value"]), ) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] arg = args[0].page mock_val = gcdc_page.Page(name="name_value") assert arg == mock_val arg = args[0].update_mask mock_val = field_mask_pb2.FieldMask(paths=["paths_value"]) assert arg == mock_val @pytest.mark.asyncio async def test_update_page_flattened_error_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): await client.update_page( gcdc_page.UpdatePageRequest(), page=gcdc_page.Page(name="name_value"), update_mask=field_mask_pb2.FieldMask(paths=["paths_value"]), ) @pytest.mark.parametrize("request_type", [page.DeletePageRequest, dict,]) def test_delete_page(request_type, transport: str = "grpc"): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.delete_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = None response = client.delete_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == page.DeletePageRequest() # Establish that the response is the type that we expect. assert response is None def test_delete_page_empty_call(): # This test is a coverage failsafe to make sure that totally empty calls, # i.e. request == None and no flattened fields passed, work. client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport="grpc", ) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.delete_page), "__call__") as call: client.delete_page() call.assert_called() _, args, _ = call.mock_calls[0] assert args[0] == page.DeletePageRequest() @pytest.mark.asyncio async def test_delete_page_async( transport: str = "grpc_asyncio", request_type=page.DeletePageRequest ): client = PagesAsyncClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # Everything is optional in proto3 as far as the runtime is concerned, # and we are mocking out the actual API, so just send an empty request. request = request_type() # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.delete_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(None) response = await client.delete_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == page.DeletePageRequest() # Establish that the response is the type that we expect. assert response is None @pytest.mark.asyncio async def test_delete_page_async_from_dict(): await test_delete_page_async(request_type=dict) def test_delete_page_field_headers(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = page.DeletePageRequest() request.name = "name/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.delete_page), "__call__") as call: call.return_value = None client.delete_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "name=name/value",) in kw["metadata"] @pytest.mark.asyncio async def test_delete_page_field_headers_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Any value that is part of the HTTP/1.1 URI should be sent as # a field header. Set these to a non-empty value. request = page.DeletePageRequest() request.name = "name/value" # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.delete_page), "__call__") as call: call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(None) await client.delete_page(request) # Establish that the underlying gRPC stub method was called. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] assert args[0] == request # Establish that the field header was sent. _, _, kw = call.mock_calls[0] assert ("x-goog-request-params", "name=name/value",) in kw["metadata"] def test_delete_page_flattened(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.delete_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = None # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. client.delete_page(name="name_value",) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) == 1 _, args, _ = call.mock_calls[0] arg = args[0].name mock_val = "name_value" assert arg == mock_val def test_delete_page_flattened_error(): client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): client.delete_page( page.DeletePageRequest(), name="name_value", ) @pytest.mark.asyncio async def test_delete_page_flattened_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Mock the actual call within the gRPC stub, and fake the request. with mock.patch.object(type(client.transport.delete_page), "__call__") as call: # Designate an appropriate return value for the call. call.return_value = None call.return_value = grpc_helpers_async.FakeUnaryUnaryCall(None) # Call the method with a truthy value for each flattened field, # using the keyword arguments to the method. response = await client.delete_page(name="name_value",) # Establish that the underlying call was made with the expected # request object values. assert len(call.mock_calls) _, args, _ = call.mock_calls[0] arg = args[0].name mock_val = "name_value" assert arg == mock_val @pytest.mark.asyncio async def test_delete_page_flattened_error_async(): client = PagesAsyncClient(credentials=ga_credentials.AnonymousCredentials(),) # Attempting to call a method with both a request object and flattened # fields is an error. with pytest.raises(ValueError): await client.delete_page( page.DeletePageRequest(), name="name_value", ) def test_credentials_transport_error(): # It is an error to provide credentials and a transport instance. transport = transports.PagesGrpcTransport( credentials=ga_credentials.AnonymousCredentials(), ) with pytest.raises(ValueError): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport, ) # It is an error to provide a credentials file and a transport instance. transport = transports.PagesGrpcTransport( credentials=ga_credentials.AnonymousCredentials(), ) with pytest.raises(ValueError): client = PagesClient( client_options={"credentials_file": "credentials.json"}, transport=transport, ) # It is an error to provide an api_key and a transport instance. transport = transports.PagesGrpcTransport( credentials=ga_credentials.AnonymousCredentials(), ) options = client_options.ClientOptions() options.api_key = "api_key" with pytest.raises(ValueError): client = PagesClient(client_options=options, transport=transport,) # It is an error to provide an api_key and a credential. options = mock.Mock() options.api_key = "api_key" with pytest.raises(ValueError): client = PagesClient( client_options=options, credentials=ga_credentials.AnonymousCredentials() ) # It is an error to provide scopes and a transport instance. transport = transports.PagesGrpcTransport( credentials=ga_credentials.AnonymousCredentials(), ) with pytest.raises(ValueError): client = PagesClient( client_options={"scopes": ["1", "2"]}, transport=transport, ) def test_transport_instance(): # A client may be instantiated with a custom transport instance. transport = transports.PagesGrpcTransport( credentials=ga_credentials.AnonymousCredentials(), ) client = PagesClient(transport=transport) assert client.transport is transport def test_transport_get_channel(): # A client may be instantiated with a custom transport instance. transport = transports.PagesGrpcTransport( credentials=ga_credentials.AnonymousCredentials(), ) channel = transport.grpc_channel assert channel transport = transports.PagesGrpcAsyncIOTransport( credentials=ga_credentials.AnonymousCredentials(), ) channel = transport.grpc_channel assert channel @pytest.mark.parametrize( "transport_class", [transports.PagesGrpcTransport, transports.PagesGrpcAsyncIOTransport,], ) def test_transport_adc(transport_class): # Test default credentials are used if not provided. with mock.patch.object(google.auth, "default") as adc: adc.return_value = (ga_credentials.AnonymousCredentials(), None) transport_class() adc.assert_called_once() def test_transport_grpc_default(): # A client should use the gRPC transport by default. client = PagesClient(credentials=ga_credentials.AnonymousCredentials(),) assert isinstance(client.transport, transports.PagesGrpcTransport,) def test_pages_base_transport_error(): # Passing both a credentials object and credentials_file should raise an error with pytest.raises(core_exceptions.DuplicateCredentialArgs): transport = transports.PagesTransport( credentials=ga_credentials.AnonymousCredentials(), credentials_file="credentials.json", ) def test_pages_base_transport(): # Instantiate the base transport. with mock.patch( "google.cloud.dialogflowcx_v3.services.pages.transports.PagesTransport.__init__" ) as Transport: Transport.return_value = None transport = transports.PagesTransport( credentials=ga_credentials.AnonymousCredentials(), ) # Every method on the transport should just blindly # raise NotImplementedError. methods = ( "list_pages", "get_page", "create_page", "update_page", "delete_page", ) for method in methods: with pytest.raises(NotImplementedError): getattr(transport, method)(request=object()) with pytest.raises(NotImplementedError): transport.close() def test_pages_base_transport_with_credentials_file(): # Instantiate the base transport with a credentials file with mock.patch.object( google.auth, "load_credentials_from_file", autospec=True ) as load_creds, mock.patch( "google.cloud.dialogflowcx_v3.services.pages.transports.PagesTransport._prep_wrapped_messages" ) as Transport: Transport.return_value = None load_creds.return_value = (ga_credentials.AnonymousCredentials(), None) transport = transports.PagesTransport( credentials_file="credentials.json", quota_project_id="octopus", ) load_creds.assert_called_once_with( "credentials.json", scopes=None, default_scopes=( "https://www.googleapis.com/auth/cloud-platform", "https://www.googleapis.com/auth/dialogflow", ), quota_project_id="octopus", ) def test_pages_base_transport_with_adc(): # Test the default credentials are used if credentials and credentials_file are None. with mock.patch.object(google.auth, "default", autospec=True) as adc, mock.patch( "google.cloud.dialogflowcx_v3.services.pages.transports.PagesTransport._prep_wrapped_messages" ) as Transport: Transport.return_value = None adc.return_value = (ga_credentials.AnonymousCredentials(), None) transport = transports.PagesTransport() adc.assert_called_once() def test_pages_auth_adc(): # If no credentials are provided, we should use ADC credentials. with mock.patch.object(google.auth, "default", autospec=True) as adc: adc.return_value = (ga_credentials.AnonymousCredentials(), None) PagesClient() adc.assert_called_once_with( scopes=None, default_scopes=( "https://www.googleapis.com/auth/cloud-platform", "https://www.googleapis.com/auth/dialogflow", ), quota_project_id=None, ) @pytest.mark.parametrize( "transport_class", [transports.PagesGrpcTransport, transports.PagesGrpcAsyncIOTransport,], ) def test_pages_transport_auth_adc(transport_class): # If credentials and host are not provided, the transport class should use # ADC credentials. with mock.patch.object(google.auth, "default", autospec=True) as adc: adc.return_value = (ga_credentials.AnonymousCredentials(), None) transport_class(quota_project_id="octopus", scopes=["1", "2"]) adc.assert_called_once_with( scopes=["1", "2"], default_scopes=( "https://www.googleapis.com/auth/cloud-platform", "https://www.googleapis.com/auth/dialogflow", ), quota_project_id="octopus", ) @pytest.mark.parametrize( "transport_class,grpc_helpers", [ (transports.PagesGrpcTransport, grpc_helpers), (transports.PagesGrpcAsyncIOTransport, grpc_helpers_async), ], ) def test_pages_transport_create_channel(transport_class, grpc_helpers): # If credentials and host are not provided, the transport class should use # ADC credentials. with mock.patch.object( google.auth, "default", autospec=True ) as adc, mock.patch.object( grpc_helpers, "create_channel", autospec=True ) as create_channel: creds = ga_credentials.AnonymousCredentials() adc.return_value = (creds, None) transport_class(quota_project_id="octopus", scopes=["1", "2"]) create_channel.assert_called_with( "dialogflow.googleapis.com:443", credentials=creds, credentials_file=None, quota_project_id="octopus", default_scopes=( "https://www.googleapis.com/auth/cloud-platform", "https://www.googleapis.com/auth/dialogflow", ), scopes=["1", "2"], default_host="dialogflow.googleapis.com", ssl_credentials=None, options=[ ("grpc.max_send_message_length", -1), ("grpc.max_receive_message_length", -1), ], ) @pytest.mark.parametrize( "transport_class", [transports.PagesGrpcTransport, transports.PagesGrpcAsyncIOTransport], ) def test_pages_grpc_transport_client_cert_source_for_mtls(transport_class): cred = ga_credentials.AnonymousCredentials() # Check ssl_channel_credentials is used if provided. with mock.patch.object(transport_class, "create_channel") as mock_create_channel: mock_ssl_channel_creds = mock.Mock() transport_class( host="squid.clam.whelk", credentials=cred, ssl_channel_credentials=mock_ssl_channel_creds, ) mock_create_channel.assert_called_once_with( "squid.clam.whelk:443", credentials=cred, credentials_file=None, scopes=None, ssl_credentials=mock_ssl_channel_creds, quota_project_id=None, options=[ ("grpc.max_send_message_length", -1), ("grpc.max_receive_message_length", -1), ], ) # Check if ssl_channel_credentials is not provided, then client_cert_source_for_mtls # is used. with mock.patch.object(transport_class, "create_channel", return_value=mock.Mock()): with mock.patch("grpc.ssl_channel_credentials") as mock_ssl_cred: transport_class( credentials=cred, client_cert_source_for_mtls=client_cert_source_callback, ) expected_cert, expected_key = client_cert_source_callback() mock_ssl_cred.assert_called_once_with( certificate_chain=expected_cert, private_key=expected_key ) def test_pages_host_no_port(): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), client_options=client_options.ClientOptions( api_endpoint="dialogflow.googleapis.com" ), ) assert client.transport._host == "dialogflow.googleapis.com:443" def test_pages_host_with_port(): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), client_options=client_options.ClientOptions( api_endpoint="dialogflow.googleapis.com:8000" ), ) assert client.transport._host == "dialogflow.googleapis.com:8000" def test_pages_grpc_transport_channel(): channel = grpc.secure_channel("http://localhost/", grpc.local_channel_credentials()) # Check that channel is used if provided. transport = transports.PagesGrpcTransport(host="squid.clam.whelk", channel=channel,) assert transport.grpc_channel == channel assert transport._host == "squid.clam.whelk:443" assert transport._ssl_channel_credentials == None def test_pages_grpc_asyncio_transport_channel(): channel = aio.secure_channel("http://localhost/", grpc.local_channel_credentials()) # Check that channel is used if provided. transport = transports.PagesGrpcAsyncIOTransport( host="squid.clam.whelk", channel=channel, ) assert transport.grpc_channel == channel assert transport._host == "squid.clam.whelk:443" assert transport._ssl_channel_credentials == None # Remove this test when deprecated arguments (api_mtls_endpoint, client_cert_source) are # removed from grpc/grpc_asyncio transport constructor. @pytest.mark.parametrize( "transport_class", [transports.PagesGrpcTransport, transports.PagesGrpcAsyncIOTransport], ) def test_pages_transport_channel_mtls_with_client_cert_source(transport_class): with mock.patch( "grpc.ssl_channel_credentials", autospec=True ) as grpc_ssl_channel_cred: with mock.patch.object( transport_class, "create_channel" ) as grpc_create_channel: mock_ssl_cred = mock.Mock() grpc_ssl_channel_cred.return_value = mock_ssl_cred mock_grpc_channel = mock.Mock() grpc_create_channel.return_value = mock_grpc_channel cred = ga_credentials.AnonymousCredentials() with pytest.warns(DeprecationWarning): with mock.patch.object(google.auth, "default") as adc: adc.return_value = (cred, None) transport = transport_class( host="squid.clam.whelk", api_mtls_endpoint="mtls.squid.clam.whelk", client_cert_source=client_cert_source_callback, ) adc.assert_called_once() grpc_ssl_channel_cred.assert_called_once_with( certificate_chain=b"cert bytes", private_key=b"key bytes" ) grpc_create_channel.assert_called_once_with( "mtls.squid.clam.whelk:443", credentials=cred, credentials_file=None, scopes=None, ssl_credentials=mock_ssl_cred, quota_project_id=None, options=[ ("grpc.max_send_message_length", -1), ("grpc.max_receive_message_length", -1), ], ) assert transport.grpc_channel == mock_grpc_channel assert transport._ssl_channel_credentials == mock_ssl_cred # Remove this test when deprecated arguments (api_mtls_endpoint, client_cert_source) are # removed from grpc/grpc_asyncio transport constructor. @pytest.mark.parametrize( "transport_class", [transports.PagesGrpcTransport, transports.PagesGrpcAsyncIOTransport], ) def test_pages_transport_channel_mtls_with_adc(transport_class): mock_ssl_cred = mock.Mock() with mock.patch.multiple( "google.auth.transport.grpc.SslCredentials", __init__=mock.Mock(return_value=None), ssl_credentials=mock.PropertyMock(return_value=mock_ssl_cred), ): with mock.patch.object( transport_class, "create_channel" ) as grpc_create_channel: mock_grpc_channel = mock.Mock() grpc_create_channel.return_value = mock_grpc_channel mock_cred = mock.Mock() with pytest.warns(DeprecationWarning): transport = transport_class( host="squid.clam.whelk", credentials=mock_cred, api_mtls_endpoint="mtls.squid.clam.whelk", client_cert_source=None, ) grpc_create_channel.assert_called_once_with( "mtls.squid.clam.whelk:443", credentials=mock_cred, credentials_file=None, scopes=None, ssl_credentials=mock_ssl_cred, quota_project_id=None, options=[ ("grpc.max_send_message_length", -1), ("grpc.max_receive_message_length", -1), ], ) assert transport.grpc_channel == mock_grpc_channel def test_entity_type_path(): project = "squid" location = "clam" agent = "whelk" entity_type = "octopus" expected = "projects/{project}/locations/{location}/agents/{agent}/entityTypes/{entity_type}".format( project=project, location=location, agent=agent, entity_type=entity_type, ) actual = PagesClient.entity_type_path(project, location, agent, entity_type) assert expected == actual def test_parse_entity_type_path(): expected = { "project": "oyster", "location": "nudibranch", "agent": "cuttlefish", "entity_type": "mussel", } path = PagesClient.entity_type_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_entity_type_path(path) assert expected == actual def test_flow_path(): project = "winkle" location = "nautilus" agent = "scallop" flow = "abalone" expected = "projects/{project}/locations/{location}/agents/{agent}/flows/{flow}".format( project=project, location=location, agent=agent, flow=flow, ) actual = PagesClient.flow_path(project, location, agent, flow) assert expected == actual def test_parse_flow_path(): expected = { "project": "squid", "location": "clam", "agent": "whelk", "flow": "octopus", } path = PagesClient.flow_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_flow_path(path) assert expected == actual def test_intent_path(): project = "oyster" location = "nudibranch" agent = "cuttlefish" intent = "mussel" expected = "projects/{project}/locations/{location}/agents/{agent}/intents/{intent}".format( project=project, location=location, agent=agent, intent=intent, ) actual = PagesClient.intent_path(project, location, agent, intent) assert expected == actual def test_parse_intent_path(): expected = { "project": "winkle", "location": "nautilus", "agent": "scallop", "intent": "abalone", } path = PagesClient.intent_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_intent_path(path) assert expected == actual def test_page_path(): project = "squid" location = "clam" agent = "whelk" flow = "octopus" page = "oyster" expected = "projects/{project}/locations/{location}/agents/{agent}/flows/{flow}/pages/{page}".format( project=project, location=location, agent=agent, flow=flow, page=page, ) actual = PagesClient.page_path(project, location, agent, flow, page) assert expected == actual def test_parse_page_path(): expected = { "project": "nudibranch", "location": "cuttlefish", "agent": "mussel", "flow": "winkle", "page": "nautilus", } path = PagesClient.page_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_page_path(path) assert expected == actual def test_transition_route_group_path(): project = "scallop" location = "abalone" agent = "squid" flow = "clam" transition_route_group = "whelk" expected = "projects/{project}/locations/{location}/agents/{agent}/flows/{flow}/transitionRouteGroups/{transition_route_group}".format( project=project, location=location, agent=agent, flow=flow, transition_route_group=transition_route_group, ) actual = PagesClient.transition_route_group_path( project, location, agent, flow, transition_route_group ) assert expected == actual def test_parse_transition_route_group_path(): expected = { "project": "octopus", "location": "oyster", "agent": "nudibranch", "flow": "cuttlefish", "transition_route_group": "mussel", } path = PagesClient.transition_route_group_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_transition_route_group_path(path) assert expected == actual def test_webhook_path(): project = "winkle" location = "nautilus" agent = "scallop" webhook = "abalone" expected = "projects/{project}/locations/{location}/agents/{agent}/webhooks/{webhook}".format( project=project, location=location, agent=agent, webhook=webhook, ) actual = PagesClient.webhook_path(project, location, agent, webhook) assert expected == actual def test_parse_webhook_path(): expected = { "project": "squid", "location": "clam", "agent": "whelk", "webhook": "octopus", } path = PagesClient.webhook_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_webhook_path(path) assert expected == actual def test_common_billing_account_path(): billing_account = "oyster" expected = "billingAccounts/{billing_account}".format( billing_account=billing_account, ) actual = PagesClient.common_billing_account_path(billing_account) assert expected == actual def test_parse_common_billing_account_path(): expected = { "billing_account": "nudibranch", } path = PagesClient.common_billing_account_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_common_billing_account_path(path) assert expected == actual def test_common_folder_path(): folder = "cuttlefish" expected = "folders/{folder}".format(folder=folder,) actual = PagesClient.common_folder_path(folder) assert expected == actual def test_parse_common_folder_path(): expected = { "folder": "mussel", } path = PagesClient.common_folder_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_common_folder_path(path) assert expected == actual def test_common_organization_path(): organization = "winkle" expected = "organizations/{organization}".format(organization=organization,) actual = PagesClient.common_organization_path(organization) assert expected == actual def test_parse_common_organization_path(): expected = { "organization": "nautilus", } path = PagesClient.common_organization_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_common_organization_path(path) assert expected == actual def test_common_project_path(): project = "scallop" expected = "projects/{project}".format(project=project,) actual = PagesClient.common_project_path(project) assert expected == actual def test_parse_common_project_path(): expected = { "project": "abalone", } path = PagesClient.common_project_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_common_project_path(path) assert expected == actual def test_common_location_path(): project = "squid" location = "clam" expected = "projects/{project}/locations/{location}".format( project=project, location=location, ) actual = PagesClient.common_location_path(project, location) assert expected == actual def test_parse_common_location_path(): expected = { "project": "whelk", "location": "octopus", } path = PagesClient.common_location_path(**expected) # Check that the path construction is reversible. actual = PagesClient.parse_common_location_path(path) assert expected == actual def test_client_with_default_client_info(): client_info = gapic_v1.client_info.ClientInfo() with mock.patch.object(transports.PagesTransport, "_prep_wrapped_messages") as prep: client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), client_info=client_info, ) prep.assert_called_once_with(client_info) with mock.patch.object(transports.PagesTransport, "_prep_wrapped_messages") as prep: transport_class = PagesClient.get_transport_class() transport = transport_class( credentials=ga_credentials.AnonymousCredentials(), client_info=client_info, ) prep.assert_called_once_with(client_info) @pytest.mark.asyncio async def test_transport_close_async(): client = PagesAsyncClient( credentials=ga_credentials.AnonymousCredentials(), transport="grpc_asyncio", ) with mock.patch.object( type(getattr(client.transport, "grpc_channel")), "close" ) as close: async with client: close.assert_not_called() close.assert_called_once() def test_transport_close(): transports = { "grpc": "_grpc_channel", } for transport, close_name in transports.items(): client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport ) with mock.patch.object( type(getattr(client.transport, close_name)), "close" ) as close: with client: close.assert_not_called() close.assert_called_once() def test_client_ctx(): transports = [ "grpc", ] for transport in transports: client = PagesClient( credentials=ga_credentials.AnonymousCredentials(), transport=transport ) # Test client calls underlying transport. with mock.patch.object(type(client.transport), "close") as close: close.assert_not_called() with client: pass close.assert_called() @pytest.mark.parametrize( "client_class,transport_class", [ (PagesClient, transports.PagesGrpcTransport), (PagesAsyncClient, transports.PagesGrpcAsyncIOTransport), ], ) def test_api_key_credentials(client_class, transport_class): with mock.patch.object( google.auth._default, "get_api_key_credentials", create=True ) as get_api_key_credentials: mock_cred = mock.Mock() get_api_key_credentials.return_value = mock_cred options = client_options.ClientOptions() options.api_key = "api_key" with mock.patch.object(transport_class, "__init__") as patched: patched.return_value = None client = client_class(client_options=options) patched.assert_called_once_with( credentials=mock_cred, credentials_file=None, host=client.DEFAULT_ENDPOINT, scopes=None, client_cert_source_for_mtls=None, quota_project_id=None, client_info=transports.base.DEFAULT_CLIENT_INFO, always_use_jwt_access=True, )
googleapis/python-dialogflow-cx
tests/unit/gapic/dialogflowcx_v3/test_pages.py
Python
apache-2.0
94,547
[ "Octopus" ]
b4020b9abaa738293ba34589e9d618a88c520ee0dc92fc9df1f31e2bf6b1bb43
# # ---------------------------------------------------------------------------------------------------- # # Copyright (c) 2018, 2021, 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. Oracle designates this # particular file as subject to the "Classpath" exception as provided # by Oracle in the LICENSE file that accompanied this code. # # 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 mx import mx_gate import mx_jardistribution import mx_sdk_vm, mx_sdk_vm_impl import mx_vm_benchmark import mx_vm_gate import os from os.path import basename, isdir, join, relpath _suite = mx.suite('vm') """:type: mx.SourceSuite | mx.Suite""" mx_sdk_vm.register_graalvm_component(mx_sdk_vm.GraalVmJdkComponent( suite=_suite, name='Component installer', short_name='gu', dir_name='installer', license_files=[], third_party_license_files=[], dependencies=['sdk'], jar_distributions=[ 'vm:INSTALLER', 'truffle:TruffleJSON' ], support_distributions=['vm:INSTALLER_GRAALVM_SUPPORT'], launcher_configs=[ mx_sdk_vm.LauncherConfig( destination="bin/<exe:gu>", jar_distributions=[ 'vm:INSTALLER', 'truffle:TruffleJSON' ], dir_jars=True, main_class="org.graalvm.component.installer.ComponentInstaller", build_args=[], # Please see META-INF/native-image in the project for custom build options for native-image is_sdk_launcher=True, custom_launcher_script="mx.vm/gu.cmd" if mx.is_windows() else None, ), ], stability="supported", )) mx_sdk_vm.register_graalvm_component(mx_sdk_vm.GraalVmComponent( suite=_suite, name='GraalVM license files', short_name='gvm', dir_name='.', license_files=['LICENSE.txt'], third_party_license_files=['THIRD_PARTY_LICENSE.txt'], dependencies=[], support_distributions=['vm:VM_GRAALVM_SUPPORT'], stability="supported", )) mx_sdk_vm.register_graalvm_component(mx_sdk_vm.GraalVmJreComponent( suite=_suite, name='Polybench Launcher', short_name='pbm', license_files=[], third_party_license_files=[], dir_name='polybench', launcher_configs=[mx_sdk_vm.LauncherConfig( destination='bin/<exe:polybench>', jar_distributions=['vm:POLYBENCH'], main_class='org.graalvm.polybench.PolyBenchLauncher', build_args=[ '-H:-ParseRuntimeOptions', '-H:Features=org.graalvm.launcher.PolyglotLauncherFeature', '--tool:all', ], is_main_launcher=True, default_symlinks=True, is_sdk_launcher=True, is_polyglot=True, )], )) mx_sdk_vm.register_graalvm_component(mx_sdk_vm.GraalVmTool( suite=_suite, name='Polybench Instruments', short_name='pbi', dir_name='pbi', license_files=[], third_party_license_files=[], dependencies=['Truffle', 'Polybench Launcher'], truffle_jars=['vm:POLYBENCH_INSTRUMENTS'], support_distributions=['vm:POLYBENCH_INSTRUMENTS_SUPPORT'], )) mx_sdk_vm.register_graalvm_component(mx_sdk_vm.GraalVmLanguage( suite=_suite, name='Polyglot Microbenchmark Harness', short_name='pmh', dir_name='pmh', license_files=[], third_party_license_files=[], dependencies=['Truffle', 'Polybench Launcher'], truffle_jars=['vm:PMH'], support_distributions=['vm:PMH_SUPPORT'], installable=False, )) polybench_benchmark_methods = ["_run"] # pylint: disable=line-too-long ce_components = ['bpolyglot', 'cmp', 'cov', 'dap', 'gu', 'gvm', 'icu4j', 'ins', 'insight', 'insightheap', 'js', 'lg', 'libpoly', 'llrc', 'llrl', 'llrn', 'lsp', 'nfi-libffi', 'nfi', 'poly', 'polynative', 'pro', 'rgx', 'sdk', 'spolyglot', 'svm', 'svmnfi', 'svml', 'tfl', 'tflm', 'vvm'] ce_win_complete_components = ['bnative-image-configure', 'bpolyglot', 'cmp', 'cov', 'dap', 'ejvm', 'gu', 'gvm', 'gwa', 'icu4j', 'ins', 'insight', 'insightheap', 'java', 'js', 'lg', 'libpoly', 'lsp', 'nfi-libffi', 'nfi', 'ni', 'nic', 'nil', 'njs', 'poly', 'polynative', 'pro', 'rgx', 'sdk', 'spolyglot', 'svm', 'svmnfi', 'tfl', 'tflm', 'vvm'] ce_aarch64_complete_components = ce_win_complete_components + ['llp', 'llrc', 'llrl', 'llrn', 'rby', 'rbyl', 'svml'] ce_darwin_complete_components = ce_aarch64_complete_components + ['pyn', 'R', 'bRMain', 'pynl'] ce_complete_components = ce_darwin_complete_components + ['ellvm'] ce_ruby_components = ['cmp', 'cov', 'dap', 'gvm', 'ins', 'insight', 'insightheap', 'lg', 'llp', 'llrc', 'llrn', 'lsp', 'nfi-libffi', 'nfi', 'pro', 'rby', 'rbyl', 'rgx', 'sdk', 'svm', 'svmnfi', 'tfl', 'tflm', 'vvm'] ce_python_components = ['bgraalvm-native-binutil', 'bgraalvm-native-clang', 'bgraalvm-native-clang++', 'bgraalvm-native-ld', 'bgu', 'sjsvm', 'blli', 'bnative-image', 'bnative-image-configure', 'bpolybench', 'bpolyglot', 'cmp', 'cov', 'dap', 'dis', 'gu', 'gvm', 'icu4j', 'ins', 'insight', 'insightheap', 'js', 'lg', 'libpoly', 'llp', 'llrc', 'llrl', 'llrn', 'lsp', 'nfi-libffi', 'nfi', 'ni', 'nic', 'nil', 'nju', 'njucp', 'pbm', 'pmh', 'poly', 'polynative', 'pro', 'pyn', 'pynl', 'rgx', 'sdk', 'snative-image-agent', 'snative-image-diagnostics-agent', 'spolyglot', 'svm', 'svml', 'svmnfi', 'tfl', 'tflm', 'vvm'] ce_fastr_components = ['R', 'bRMain', 'bgraalvm-native-binutil', 'bgraalvm-native-clang', 'bgraalvm-native-clang++', 'bgraalvm-native-ld', 'bgu', 'sjsvm', 'blli', 'bpolyglot', 'cmp', 'cov', 'dap', 'gu', 'gvm', 'icu4j', 'ins', 'insight', 'insightheap', 'js', 'lg', 'libpoly', 'llp', 'llrc', 'llrl', 'llrn', 'lsp', 'nfi-libffi', 'nfi', 'poly', 'polynative', 'pro', 'rgx', 'sdk', 'spolyglot', 'svm', 'svml', 'svmnfi', 'tfl', 'tflm', 'vvm'] ce_no_native_components = ['bgu', 'sjsvm', 'blli', 'bgraalvm-native-clang', 'bgraalvm-native-clang++', 'bgraalvm-native-ld', 'bgraalvm-native-binutil', 'bnative-image', 'bnative-image-configure', 'bpolyglot', 'cmp', 'cov', 'dap', 'gu', 'gvm', 'icu4j', 'ins', 'insight', 'insightheap', 'js', 'lsp', 'nfi-libffi', 'nfi', 'ni', 'nic', 'nil', 'polynative', 'pro', 'rgx', 'sdk', 'llrc', 'llrn', 'llrl', 'snative-image-agent', 'snative-image-diagnostics-agent', 'spolyglot', 'svm', 'svmnfi', 'svml', 'tfl', 'tflm', 'libpoly', 'poly', 'vvm'] mx_sdk_vm.register_vm_config('ce', ['insight', 'insightheap', 'cmp', 'cov', 'dap', 'gu', 'gvm', 'icu4j', 'ins', 'js', 'lg', 'libpoly', 'lsp', 'nfi-libffi', 'nfi', 'poly', 'bpolyglot', 'polynative', 'pro', 'rgx', 'sdk', 'spolyglot', 'svm', 'svmnfi', 'tfl', 'tflm', 'vvm'], _suite, env_file='ce-win') mx_sdk_vm.register_vm_config('ce', ce_components, _suite, env_file='ce-aarch64') mx_sdk_vm.register_vm_config('ce', ce_components, _suite, env_file='ce-darwin') mx_sdk_vm.register_vm_config('ce', ce_components, _suite) mx_sdk_vm.register_vm_config('ce', ce_components + ['njs'], _suite, dist_name='ce', env_file='ce-nodejs') mx_sdk_vm.register_vm_config('ce', ce_ruby_components, _suite, dist_name='ce-ruby', env_file='ce-ruby') mx_sdk_vm.register_vm_config('ce', ce_win_complete_components, _suite, dist_name='ce-win-complete') mx_sdk_vm.register_vm_config('ce', ce_aarch64_complete_components, _suite, dist_name='ce-aarch64-complete') mx_sdk_vm.register_vm_config('ce', ce_darwin_complete_components, _suite, dist_name='ce-darwin-complete') mx_sdk_vm.register_vm_config('ce', ce_complete_components, _suite, dist_name='ce-complete') mx_sdk_vm.register_vm_config('ce-python', ce_python_components, _suite) mx_sdk_vm.register_vm_config('ce-fastr', ce_fastr_components, _suite) mx_sdk_vm.register_vm_config('ce-no_native', ce_no_native_components, _suite) mx_sdk_vm.register_vm_config('libgraal', ['bgu', 'cmp', 'dis', 'gu', 'gvm', 'lg', 'nfi-libffi', 'nfi', 'poly', 'polynative', 'sdk', 'svm', 'svmnfi', 'svml', 'tfl', 'tflm', 'bpolyglot'], _suite) mx_sdk_vm.register_vm_config('toolchain-only', ['sdk', 'tfl', 'tflm', 'nfi-libffi', 'nfi', 'cmp', 'svm', 'svmnfi', 'llp', 'llrc', 'llrn'], _suite) mx_sdk_vm.register_vm_config('libgraal-bash', ['bgraalvm-native-clang', 'bgraalvm-native-clang++', 'bgraalvm-native-ld', 'bgraalvm-native-binutil', 'bgu', 'cmp', 'gu', 'gvm', 'lg', 'nfi-libffi', 'nfi', 'poly', 'polynative', 'sdk', 'svm', 'svmnfi', 'svml', 'tfl', 'tflm', 'bpolyglot'], _suite, env_file=False) mx_sdk_vm.register_vm_config('toolchain-only-bash', ['bgraalvm-native-clang', 'bgraalvm-native-clang++', 'bgraalvm-native-ld', 'bgraalvm-native-binutil', 'tfl', 'tflm', 'gu', 'svm', 'svmnfi', 'gvm', 'polynative', 'llp', 'nfi-libffi', 'nfi', 'svml', 'bgu', 'sdk', 'llrc', 'llrn', 'cmp'], _suite, env_file=False) mx_sdk_vm.register_vm_config('ce', ['bgraalvm-native-binutil', 'bgraalvm-native-clang', 'bgraalvm-native-clang++', 'bgraalvm-native-ld', 'java', 'libpoly', 'sespresso', 'spolyglot', 'ejvm', 'sjsvm', 'blli', 'bnative-image', 'srubyvm', 'pynl', 'bgraalpython', 'pyn', 'bwasm', 'cmp', 'gwa', 'icu4j', 'js', 'lg', 'llp', 'nfi-libffi', 'nfi', 'ni', 'nil', 'pbm', 'pmh', 'pbi', 'rby', 'rbyl', 'rgx', 'sdk', 'llrc', 'llrn', 'llrl', 'snative-image-agent', 'snative-image-diagnostics-agent', 'svm', 'svmnfi', 'tfl', 'tflm'], _suite, env_file='polybench-ce') mx_sdk_vm.register_vm_config('ce', ['pbm', 'pmh', 'pbi', 'ni', 'icu4j', 'js', 'lg', 'nfi-libffi', 'nfi', 'tfl', 'svm', 'nil', 'rgx', 'sdk', 'cmp', 'tflm', 'svmnfi', 'bnative-image', 'sjsvm', 'snative-image-agent', 'snative-image-diagnostics-agent'], _suite, env_file='polybench-nfi-ce') mx_sdk_vm.register_vm_config('ce', ['bgraalvm-native-binutil', 'bgraalvm-native-clang', 'bgraalvm-native-clang++', 'bgraalvm-native-ld', 'blli', 'bnative-image', 'cmp', 'lg', 'llrc', 'llrl', 'llrn', 'nfi-libffi', 'nfi', 'ni', 'nil', 'pbm', 'pbi', 'sdk', 'snative-image-agent', 'snative-image-diagnostics-agent', 'svm', 'svmnfi', 'tfl', 'tflm'], _suite, env_file='polybench-sulong-ce') if mx.get_os() == 'windows': mx_sdk_vm.register_vm_config('svm', ['bnative-image', 'bnative-image-configure', 'bpolyglot', 'cmp', 'gvm', 'nfi-libffi', 'nfi', 'ni', 'nil', 'nju', 'njucp', 'nic', 'poly', 'polynative', 'rgx', 'sdk', 'snative-image-agent', 'snative-image-diagnostics-agent', 'svm', 'svmnfi', 'tfl', 'tflm'], _suite, env_file=False) else: mx_sdk_vm.register_vm_config('svm', ['bnative-image', 'bnative-image-configure', 'bpolyglot', 'cmp', 'gu', 'gvm', 'nfi-libffi', 'nfi', 'ni', 'nil', 'nju', 'njucp', 'nic', 'poly', 'polynative', 'rgx', 'sdk', 'snative-image-agent', 'snative-image-diagnostics-agent', 'svm', 'svmnfi', 'svml', 'tfl', 'tflm'], _suite, env_file=False) # pylint: enable=line-too-long mx_gate.add_gate_runner(_suite, mx_vm_gate.gate_body) def mx_post_parse_cmd_line(args): mx_vm_benchmark.register_graalvm_vms() def mx_register_dynamic_suite_constituents(register_project, register_distribution): """ :type register_project: (mx.Project) -> None :type register_distribution: (mx.Distribution) -> None """ if mx_sdk_vm_impl.has_component('FastR'): fastr_release_env = mx.get_env('FASTR_RELEASE', None) if fastr_release_env != 'true': mx.abort(('When including FastR, please set FASTR_RELEASE to \'true\' (env FASTR_RELEASE=true mx ...). Got FASTR_RELEASE={}. ' 'For local development, you may also want to disable recommended packages build (FASTR_NO_RECOMMENDED=true) and ' 'capturing of system libraries (export FASTR_CAPTURE_DEPENDENCIES set to an empty value). ' 'See building.md in FastR documentation for more details.').format(fastr_release_env)) if register_project: register_project(GraalVmSymlinks()) benchmark_dist = _suite.dependency("POLYBENCH_BENCHMARKS") def _add_project_to_dist(destination, name, source='dependency:{name}/*'): if destination not in benchmark_dist.layout: benchmark_dist.layout[destination] = [] benchmark_dist.layout[destination].append(source.format(name=name)) benchmark_dist.buildDependencies.append(name) if mx_sdk_vm_impl.has_component('GraalWasm'): import mx_wasm class GraalVmWatProject(mx_wasm.WatProject): def getSourceDir(self): return self.subDir def isBenchmarkProject(self): return self.name.startswith("benchmarks.") register_project(GraalVmWatProject( suite=_suite, name='benchmarks.interpreter.wasm', deps=[], workingSets=None, subDir=join(_suite.dir, 'benchmarks', 'interpreter'), theLicense=None, testProject=True, defaultBuild=False, )) # add wasm to the layout of the benchmark distribution _add_project_to_dist('./interpreter/', 'benchmarks.interpreter.wasm') if mx_sdk_vm_impl.has_component('LLVM Runtime Native'): register_project(mx.NativeProject( suite=_suite, name='benchmarks.interpreter.llvm.native', results=['interpreter/'], buildEnv={ 'NATIVE_LLVM_CC': '<toolchainGetToolPath:native,CC>', }, buildDependencies=[ 'sulong:SULONG_BOOTSTRAP_TOOLCHAIN', ], vpath=True, deps=[], workingSets=None, d=join(_suite.dir, 'benchmarks', 'interpreter'), subDir=None, srcDirs=[''], output=None, theLicense=None, testProject=True, defaultBuild=False, )) # add bitcode to the layout of the benchmark distribution _add_project_to_dist('./', 'benchmarks.interpreter.llvm.native') if mx_sdk_vm_impl.has_component('Java on Truffle'): java_benchmarks = join(_suite.dir, 'benchmarks', 'interpreter', 'java') for f in os.listdir(java_benchmarks): if isdir(join(java_benchmarks, f)) and not f.startswith("."): main_class = basename(f) simple_name = main_class.split(".")[-1] project_name = 'benchmarks.interpreter.espresso.' + simple_name.lower() register_project(mx.JavaProject( suite=_suite, subDir=None, srcDirs=[join(_suite.dir, 'benchmarks', 'interpreter', 'java', main_class)], deps=[], name=project_name, d=join(_suite.dir, 'benchmarks', 'interpreter', 'java', main_class), javaCompliance='11+', checkstyleProj=project_name, workingSets=None, theLicense=None, testProject=True, defaultBuild=False, )) dist_name = 'POLYBENCH_ESPRESSO_' + simple_name.upper() register_distribution(mx_jardistribution.JARDistribution( suite=_suite, subDir=None, srcDirs=[''], sourcesPath=[], deps=[project_name], mainClass=main_class, name=dist_name, path=simple_name + '.jar', platformDependent=False, distDependencies=[], javaCompliance='11+', excludedLibs=[], workingSets=None, theLicense=None, testProject=True, defaultBuild=False, )) # add jars to the layout of the benchmark distribution _add_project_to_dist('./interpreter/{}.jar'.format(simple_name), dist_name, source='dependency:{name}/polybench-espresso-' + simple_name.lower() + '.jar') class GraalVmSymlinks(mx.Project): def __init__(self, **kw_args): super(GraalVmSymlinks, self).__init__(_suite, 'vm-symlinks', subDir=None, srcDirs=[], deps=['sdk:' + mx_sdk_vm_impl.graalvm_dist_name()], workingSets=None, d=_suite.dir, theLicense=None, testProject=False, **kw_args) self.links = [] sdk_suite = mx.suite('sdk') for link_name in 'latest_graalvm', 'latest_graalvm_home': self.links += [(relpath(join(sdk_suite.dir, link_name), _suite.dir), join(_suite.dir, link_name))] def getArchivableResults(self, use_relpath=True, single=False): raise mx.abort("Project '{}' cannot be archived".format(self.name)) def getBuildTask(self, args): return GraalVmSymLinksBuildTask(args, 1, self) class GraalVmSymLinksBuildTask(mx.ProjectBuildTask): """ For backward compatibility, maintain `latest_graalvm` and `latest_graalvm_home` symlinks in the `vm` suite """ def needsBuild(self, newestInput): sup = super(GraalVmSymLinksBuildTask, self).needsBuild(newestInput) if sup[0]: return sup if mx.get_os() != 'windows': for src, dest in self.subject.links: if not os.path.lexists(dest): return True, '{} does not exist'.format(dest) link_file = mx.TimeStampFile(dest, False) if newestInput and link_file.isOlderThan(newestInput): return True, '{} is older than {}'.format(dest, newestInput) if src != os.readlink(dest): return True, '{} points to the wrong file'.format(dest) return False, None def build(self): if mx.get_os() == 'windows': mx.warn('Skip adding symlinks to the latest GraalVM (Platform Windows)') return self.rm_links() self.add_links() def clean(self, forBuild=False): self.rm_links() def add_links(self): for src, dest in self.subject.links: os.symlink(src, dest) def rm_links(self): if mx.get_os() == 'windows': return for _, dest in self.subject.links: if os.path.lexists(dest): os.unlink(dest) def __str__(self): return "Generating GraalVM symlinks in the vm suite"
smarr/Truffle
vm/mx.vm/mx_vm.py
Python
gpl-2.0
19,478
[ "ESPResSo", "VisIt" ]
de62b4eb7801c274617c8f6be4c70476619330f9c733e26d82828c42bae7cff3
# Analyzing neural spiking data using Hopfield networks # - Markov probability of window labels approach # Felix Effenberger, Jan 2015 # This assumes that a Hopfield network has already been fitted to windowed # spike train data and the denoised patterns have been computed and saved # via the Patterns class (see file my_first_script.py). # In this script basic analysis of likely occurring pattern sequences is # carried out, based on a Markov approach. # The so called pattern sequence is an ordered list of memory patterns # (fixed points of Hopfield dynamics) obtained from converging the Hopfield # dynamics on windows of the raw spiking data. The occurring patterns are # labeled by integer numbers (starting from 0), where each pattern is # assigned a new label of increasing value if it has not been encountered # before. A label thus establishes pattern identity and the pattern sequence # consists of N labels with value 0 <= k <= N (with usually k << N). # After loading the denoised patterns and computing label probabilities # and entropies of the one-step transition probabilities for each label # (this can be thought of as a measure of how 'stably' a given sequence # occurs in the data), a graph is constructed with the labels as nodes. # Edges are inserted between nodes, the labels of which have a # non-vanishing conditional probability of occurrence in the pattern sequence. # The edge weight is set to this (Markov) probability. # In most cases, one or more 'central' node can be identified in the Markov # graph that has/have a high in-degree (i.e. number of incoming edges), # possibly also accompanied by a high out-degree. # This is characteristic for a situation in which such nodes (i.e. label, # i.e. pattern) are the termination point (resp. starting point) of prominently # occurring sub-sequences of patterns occurring in the pattern sequence. # Such a node often corresponds to some resting state of the network, that # it repeatedly returns to. Its fixed point memory and memory triggered average # will likely show a silent (or low activity) state of the network. # cycles (closed paths) starting and ending at such a central node can give # insight on how the network is driven out of its resting state (often by some # stimulus) and enters a transient excited state before falling back to the # resting state. # The code below enumerates such cycles (if existent) and sorts them by their # (scored) entropy, a proxy measure for how reliably the network dynamics visit # those cycles (i.e. excited states) in the data considered. import numpy as np import matplotlib as mpl #to set mpl backend: #mpl.use('Agg') import matplotlib.pyplot as plt from hdnet.patterns import PatternsHopfield from hdnet.stats import SequenceAnalyzer from hdnet.visualization import combine_windows, plot_graph # load coverged patterns here n = 10 #NUMBER_OF_NEURONS ws = 1 #WINDOW_SIZE #pattern_file = 'SAVED_PATTERNS_FILE' # load pattern sequence patterns = PatternsHopfield.load('my_spikes_model/patterns_hopfield.npz') sequence = patterns.sequence labels = set(sequence) n_labels = len(labels) # create sequence analyzer instance sa = SequenceAnalyzer(patterns) #optionally filter labels to remove occurrences of repeated labels FILTER_LABEL_SEQUENCE = False if FILTER_LABEL_SEQUENCE: # NB. this alters label probabilities and Markov transition probabilities sa.filter_sequence_repeating_labels(repetitions=2) # compute probabilities of labels, markov transition probabilities and label_probabilities = sa.compute_label_probabilities() markov_probabilities = sa.compute_label_markov_probabilities() label_entropy = sa.compute_label_markov_entropies() # plot label probabilities, markov transition probabilities and node entropy fig, ax = plt.subplots() ax.hist(label_probabilities, weights=[1. / n_labels] * n_labels, range=(label_probabilities.min(), label_probabilities.max()), bins=100, color='k') ax.set_xlabel('probability') ax.set_ylabel('fraction') ax.set_yscale('log', nonposy='clip') ax.set_xscale('log', nonposx='clip') plt.tight_layout() plt.savefig('label_probabilities.png') plt.close() fig = plt.figure(figsize=(8, 6)) ax = fig.add_subplot(1, 1, 1) cmap = mpl.cm.autumn cmap.set_bad('k') mp_masked = np.ma.masked_where(markov_probabilities < 0.001 , markov_probabilities) im = ax.matshow(mp_masked, cmap=cmap, norm=mpl.colors.LogNorm(vmin=0.001, vmax=1)) ax.set_xlabel('to pattern') ax.set_ylabel('from pattern') ax.xaxis.set_ticks([0, 500]) ax.yaxis.set_ticks([0, 500]) plt.colorbar(im) plt.savefig('label_probabilities_markov.png') plt.tight_layout() plt.close() fig, ax = plt.subplots() plt.hist(label_entropy, weights=[1. / n_labels] * n_labels, bins=50, color='k') plt.xlabel('entropy') plt.ylabel('fraction') plt.yscale('log', nonposy='clip') plt.tight_layout() plt.savefig('label_entropy.png') plt.close() # construct markov graph markov_graph = sa.compute_markov_graph() print ("Markov graph has %d nodes, %d edges" % (len(markov_graph.nodes()), len(markov_graph.edges()))) # reduce markov graph to most likely occurring labels # adjust threshold if needed threshold = 20 sa.reduce_graph_brute(np.argsort(label_probabilities)[::-1][:threshold]) # plot markov graph plot_graph(markov_graph) plt.savefig('markov_graph_filtered.png') # plot memory triggered averages for all nodes of markov graph fig, ax = plt.subplots(int(threshold / 10), 10) for i, node in enumerate(markov_graph.nodes()): ax = plt.subplot(threshold / 10, 10, i + 1) ax.matshow(patterns.pattern_to_mta_matrix(node).reshape(n, ws), vmin=0, vmax=1, cmap='gray') ax.get_xaxis().set_visible(False) ax.get_yaxis().set_visible(False) plt.savefig('mtas.png') plt.close() print ("filtering markov graph") sa.reduce_graph_self_cycles() sa.reduce_graph_triangles() sa.reduce_graph_stub() print ("Filtered Markov graph has %d nodes, %d edges" % \ (len(markov_graph.nodes()), len(markov_graph.edges()))) # try to guess base node (resting state memory) as node with highest degree # (converging and diverging connections) # -- adjust post hoc if necessary! markov_degrees = markov_graph.degree(list(markov_graph.nodes)) base_node = max(markov_degrees)[0] print ("base node is %d" % base_node) # calculate cycles of entropies around base node # adjust weighting and weighting per element if needed print ("calculating cycles around base node..") weighting = lambda x: 1. / len(x) weighting_element = lambda x, p: x / ((p + 1) * 2.) # prefer longer sequences cycles, scores = sa.calculate_cycles_entropy_scores( base_node, min_len=3, max_len=20, weighting=weighting, weighting_element=weighting_element) print ("%d cycles" % (len(cycles))) # plot cycle statistics n_cycles = len(cycles) cycle_len = np.array([]) for i in range(0,n_cycles): cycle_len = np.append(cycle_len,len(cycles[i])) fig, ax = plt.subplots() ax.hist(cycle_len, weights=[1. / n_cycles] * n_cycles, bins=50, color='k') ax.set_xlabel('cycle length') ax.set_ylabel('fraction') plt.locator_params(nbins=3) plt.tight_layout() plt.savefig('cycle_lengths.png') plt.close() fig, ax = plt.subplots() plt.hist(scores, weights=[1. / n_cycles] * n_cycles, bins=50, color='k') plt.xlabel('cycle score') plt.ylabel('fraction') plt.locator_params(nbins=3) plt.tight_layout() plt.savefig('cycle_scores.png') plt.close() fig, ax = plt.subplots() plt.scatter(cycle_len, scores, color='k') plt.xlabel('cycle length') plt.ylabel('cycle score') plt.locator_params(nbins=3) plt.tight_layout() plt.savefig('cycle_lengths_vs_scores_scatter.png') plt.close() fig, ax = plt.subplots() plt.hist2d(cycle_len, scores, bins=100) plt.xlabel('cycle length') plt.ylabel('cycle score') plt.colorbar() plt.locator_params(nbins=3) plt.tight_layout() plt.savefig('cycle_lengths_vs_scores_hist.png') plt.close() # plot max_plot extracted cycles # adjust if needed max_plot = 100 interesting = np.arange(min(n_cycles, max_plot)) print ("plotting averaged sequences of %d cycles.." % (len(interesting))) for i, idx in enumerate(interesting): cycle = cycles[idx] mta_sequence = [patterns.pattern_to_mta_matrix(l).reshape(n, ws) for l in cycle] combined = combine_windows(np.array(mta_sequence)) fig, ax = plt.subplots() plt.matshow(combined, cmap='gray') plt.axis('off') plt.title('cycle %d\nlength %d\nscore %f' % \ (idx, len(cycle), scores[idx]), loc='left') plt.savefig('likely-%04d.png' % i) plt.close() # end of script
team-hdnet/hdnet
examples/examine_pattern_sequence.py
Python
gpl-3.0
8,834
[ "VisIt" ]
40f81ed63d0de2f2400932b6b913ae393f96b713ba2ff721f36e8543c70ff866
""" A computing element class using singularity containers. This computing element will start the job in the container set by the "ContainerRoot" config option. DIRAC will the re-installed within the container, extra flags can be given to the dirac-install command with the "ContainerExtraOpts" option. See the Configuration/Resources/Computing documention for details on where to set the option parameters. """ import os import sys import shutil import tempfile import DIRAC from DIRAC import S_OK, S_ERROR, gConfig, gLogger from DIRAC.Core.Security.ProxyInfo import getProxyInfo from DIRAC.Core.Utilities.Subprocess import systemCall from DIRAC.ConfigurationSystem.Client.Helpers import CSGlobals from DIRAC.ConfigurationSystem.Client.Helpers import Operations from DIRAC.Core.Utilities.ThreadScheduler import gThreadScheduler from DIRAC.Resources.Computing.ComputingElement import ComputingElement from DIRAC.WorkloadManagementSystem.Utilities.Utils import createRelocatedJobWrapper __RCSID__ = "$Id$" DIRAC_INSTALL = os.path.join(DIRAC.rootPath, 'DIRAC', 'Core', 'scripts', 'dirac-install.py') # Default container to use if it isn't specified in the CE options CONTAINER_DEFROOT = "/cvmfs/cernvm-prod.cern.ch/cvm3" CONTAINER_WORKDIR = "containers" CONTAINER_INNERDIR = "/tmp" CONTAINER_WRAPPER = """#!/bin/bash echo "Starting inner container wrapper scripts at `date`." set -x cd /tmp # Install DIRAC ./dirac-install.py %(install_args)s source bashrc dirac-configure -F %(config_args)s -I # Run next wrapper (to start actual job) bash %(next_wrapper)s # Write the payload errorcode to a file for the outer scripts echo $? > retcode chmod 644 retcode echo "Finishing inner continer wrapper scripts at `date`." """ class SingularityComputingElement(ComputingElement): """ A Computing Element for running a job within a Singularity container. """ def __init__(self, ceUniqueID): """ Standard constructor. """ super(SingularityComputingElement, self).__init__(ceUniqueID) self.__submittedJobs = 0 self.__runningJobs = 0 self.__root = CONTAINER_DEFROOT if 'ContainerRoot' in self.ceParameters: self.__root = self.ceParameters['ContainerRoot'] self.__workdir = CONTAINER_WORKDIR self.__innerdir = CONTAINER_INNERDIR self.__singularityBin = 'singularity' self.log = gLogger.getSubLogger('Singularity') def __hasSingularity(self): """ Search the current PATH for an exectuable named singularity. Returns True if it is found, False otherwise. """ if self.ceParameters.get('ContainerBin'): binPath = self.ceParameters['ContainerBin'] if os.path.isfile(binPath) and os.access(binPath, os.X_OK): self.__singularityBin = binPath self.log.debug('Use singularity from "%s"' % self.__singularityBin) return True if "PATH" not in os.environ: return False # Hmm, PATH not set? How unusual... for searchPath in os.environ["PATH"].split(os.pathsep): binPath = os.path.join(searchPath, 'singularity') if os.path.isfile(binPath): # File found, check it's exectuable to be certain: if os.access(binPath, os.X_OK): self.log.debug('Find singularity from PATH "%s"' % binPath) return True # No suitablable binaries found return False def __getInstallFlags(self): """ Get the flags to pass to dirac-install.py inside the container. Returns a string containing the command line flags. """ instOpts = [] setup = gConfig.getValue("/DIRAC/Setup", "unknown") opsHelper = Operations.Operations(setup=setup) installationName = opsHelper.getValue("Pilot/Installation", "") if installationName: instOpts.append('-V %s' % installationName) diracVersions = opsHelper.getValue("Pilot/Version", []) instOpts.append("-r '%s'" % diracVersions[0]) pyVer = "%u%u" % (sys.version_info.major, sys.version_info.minor) instOpts.append("-i %s" % pyVer) pilotExtensionsList = opsHelper.getValue("Pilot/Extensions", []) extensionsList = [] if pilotExtensionsList: if pilotExtensionsList[0] != 'None': extensionsList = pilotExtensionsList else: extensionsList = CSGlobals.getCSExtensions() if extensionsList: instOpts.append("-e '%s'" % ','.join([ext for ext in extensionsList if 'Web' not in ext])) if 'ContainerExtraOpts' in self.ceParameters: instOpts.append(self.ceParameters['ContainerExtraOpts']) return ' '.join(instOpts) @staticmethod def __getConfigFlags(): """ Get the flags for dirac-configure inside the container. Returns a string containing the command line flags. """ cfgOpts = [] setup = gConfig.getValue("/DIRAC/Setup", "unknown") if setup: cfgOpts.append("-S '%s'" % setup) csServers = gConfig.getValue("/DIRAC/Configuration/Servers", []) cfgOpts.append("-C '%s'" % ','.join(csServers)) cfgOpts.append("-n '%s'" % DIRAC.siteName()) return ' '.join(cfgOpts) def __createWorkArea(self, proxy, jobDesc, log, logLevel): """ Creates a directory for the container and populates it with the template directories, scripts & proxy. """ # Create the directory for our continer area try: os.mkdir(self.__workdir) except OSError: if not os.path.isdir(self.__workdir): result = S_ERROR("Failed to create container base directory '%s'" % self.__workdir) result['ReschedulePayload'] = True return result # Otherwise, directory probably just already exists... baseDir = None try: baseDir = tempfile.mkdtemp(prefix="job%s_" % jobDesc["jobID"], dir=self.__workdir) except OSError: result = S_ERROR("Failed to create container work directory in '%s'" % self.__workdir) result['ReschedulePayload'] = True return result self.log.debug('Use singularity workarea: %s' % baseDir) for subdir in ["home", "tmp", "var_tmp"]: os.mkdir(os.path.join(baseDir, subdir)) tmpDir = os.path.join(baseDir, "tmp") # Now we have a directory, we can stage in the proxy and scripts # Proxy proxyLoc = os.path.join(tmpDir, "proxy") rawfd = os.open(proxyLoc, os.O_WRONLY | os.O_CREAT, 0o600) fd = os.fdopen(rawfd, "w") fd.write(proxy) fd.close() # dirac-install.py install_loc = os.path.join(tmpDir, "dirac-install.py") shutil.copyfile(DIRAC_INSTALL, install_loc) os.chmod(install_loc, 0o755) # Job Wrapper (Standard DIRAC wrapper) result = createRelocatedJobWrapper(tmpDir, self.__innerdir, log=log, logLevel=logLevel, **jobDesc) if not result['OK']: result['ReschedulePayload'] = True return result wrapperPath = result['Value'] # Extra Wrapper (Container DIRAC installer) wrapSubs = {'next_wrapper': wrapperPath, 'install_args': self.__getInstallFlags(), 'config_args': self.__getConfigFlags(), } wrapLoc = os.path.join(tmpDir, "dirac_container.sh") rawfd = os.open(wrapLoc, os.O_WRONLY | os.O_CREAT, 0o700) fd = os.fdopen(rawfd, "w") fd.write(CONTAINER_WRAPPER % wrapSubs) fd.close() ret = S_OK() ret['baseDir'] = baseDir ret['tmpDir'] = tmpDir ret['proxyLocation'] = proxyLoc return ret def __getEnv(self): """ Gets the environment for use within the container. We blank almost everything to prevent contamination from the host system. """ payloadEnv = {} if 'TERM' in os.environ: payloadEnv['TERM'] = os.environ['TERM'] payloadEnv['TMP'] = '/tmp' payloadEnv['TMPDIR'] = '/tmp' payloadEnv['X509_USER_PROXY'] = os.path.join(self.__innerdir, "proxy") return payloadEnv @staticmethod def __checkResult(tmpDir): """ Gets the result of the payload command and returns it. """ # The wrapper writes the inner job return code to "retcode" # in the working directory. try: fd = open(os.path.join(tmpDir, "retcode"), "r") retCode = int(fd.read()) fd.close() except (IOError, ValueError): # Something failed while trying to get the return code result = S_ERROR("Failed to get return code from inner wrapper") result['ReschedulePayload'] = True return result result = S_OK() if retCode: # This is the one case where we don't reschedule: # An actual failure of the inner payload for some reason result = S_ERROR("Command failed with exit code %d" % retCode) return result # pylint: disable=unused-argument,arguments-differ def submitJob(self, executableFile, proxy, jobDesc, log, logLevel, **kwargs): """ Start a container for a job. executableFile is ignored. A new wrapper suitable for running in a container is created from jobDesc. """ rootImage = self.__root # Check that singularity is available if not self.__hasSingularity(): self.log.error('Singularity is not installed on PATH.') result = S_ERROR("Failed to find singularity ") result['ReschedulePayload'] = True return result self.log.info('Creating singularity container') # Start by making the directory for the container ret = self.__createWorkArea(proxy, jobDesc, log, logLevel) if not ret['OK']: return ret baseDir = ret['baseDir'] tmpDir = ret['tmpDir'] proxyLoc = ret['proxyLocation'] # Now we have to set-up proxy renewal for the container # This is fairly easy as it remains visible on the host filesystem ret = getProxyInfo() if not ret['OK']: pilotProxy = None else: pilotProxy = ret['Value']['path'] result = gThreadScheduler.addPeriodicTask(self.proxyCheckPeriod, self._monitorProxy, taskArgs=(pilotProxy, proxyLoc), executions=0, elapsedTime=0) renewTask = None if result['OK']: renewTask = result['Value'] else: self.log.warn('Failed to start proxy renewal task') # Very simple accounting self.__submittedJobs += 1 self.__runningJobs += 1 # Now prepare start singularity # Mount /cvmfs in if it exists on the host withCVMFS = os.path.isdir("/cvmfs") innerCmd = os.path.join(self.__innerdir, "dirac_container.sh") cmd = [self.__singularityBin, "exec"] cmd.extend(["-c", "-i", "-p"]) cmd.extend(["-W", baseDir]) if withCVMFS: cmd.extend(["-B", "/cvmfs"]) if 'ContainerBind' in self.ceParameters: bindPaths = self.ceParameters['ContainerBind'].split(',') for bindPath in bindPaths: cmd.extend(["-B", bindPath.strip()]) if 'ContainerOptions' in self.ceParameters: containerOpts = self.ceParameters['ContainerOptions'].split(',') for opt in containerOpts: cmd.extend([opt.strip()]) cmd.extend([rootImage, innerCmd]) self.log.debug('Execute singularity command: %s' % cmd) self.log.debug('Execute singularity env: %s' % self.__getEnv()) result = systemCall(0, cmd, callbackFunction=self.sendOutput, env=self.__getEnv()) self.__runningJobs -= 1 if not result["OK"]: if renewTask: gThreadScheduler.removeTask(renewTask) result = S_ERROR("Error running singularity command") result['ReschedulePayload'] = True return result result = self.__checkResult(tmpDir) if not result["OK"]: if renewTask: gThreadScheduler.removeTask(renewTask) return result def getCEStatus(self, jobIDList=None): """ Method to return information on running and pending jobs. """ result = S_OK() result['SubmittedJobs'] = self.__submittedJobs result['RunningJobs'] = self.__runningJobs result['WaitingJobs'] = 0 return result
chaen/DIRAC
Resources/Computing/SingularityComputingElement.py
Python
gpl-3.0
11,852
[ "DIRAC" ]
17ae3d365b8a9127d76a82ec3364ceb2cf2df183e59d652cef04a50d0b996a85
# coding: utf-8 """ Vericred API Vericred's API allows you to search for Health Plans that a specific doctor accepts. ## Getting Started Visit our [Developer Portal](https://developers.vericred.com) to create an account. Once you have created an account, you can create one Application for Production and another for our Sandbox (select the appropriate Plan when you create the Application). ## SDKs Our API follows standard REST conventions, so you can use any HTTP client to integrate with us. You will likely find it easier to use one of our [autogenerated SDKs](https://github.com/vericred/?query=vericred-), which we make available for several common programming languages. ## Authentication To authenticate, pass the API Key you created in the Developer Portal as a `Vericred-Api-Key` header. `curl -H 'Vericred-Api-Key: YOUR_KEY' "https://api.vericred.com/providers?search_term=Foo&zip_code=11215"` ## Versioning Vericred's API default to the latest version. However, if you need a specific version, you can request it with an `Accept-Version` header. The current version is `v3`. Previous versions are `v1` and `v2`. `curl -H 'Vericred-Api-Key: YOUR_KEY' -H 'Accept-Version: v2' "https://api.vericred.com/providers?search_term=Foo&zip_code=11215"` ## Pagination Endpoints that accept `page` and `per_page` parameters are paginated. They expose four additional fields that contain data about your position in the response, namely `Total`, `Per-Page`, `Link`, and `Page` as described in [RFC-5988](https://tools.ietf.org/html/rfc5988). For example, to display 5 results per page and view the second page of a `GET` to `/networks`, your final request would be `GET /networks?....page=2&per_page=5`. ## Sideloading When we return multiple levels of an object graph (e.g. `Provider`s and their `State`s we sideload the associated data. In this example, we would provide an Array of `State`s and a `state_id` for each provider. This is done primarily to reduce the payload size since many of the `Provider`s will share a `State` ``` { providers: [{ id: 1, state_id: 1}, { id: 2, state_id: 1 }], states: [{ id: 1, code: 'NY' }] } ``` If you need the second level of the object graph, you can just match the corresponding id. ## Selecting specific data All endpoints allow you to specify which fields you would like to return. This allows you to limit the response to contain only the data you need. For example, let's take a request that returns the following JSON by default ``` { provider: { id: 1, name: 'John', phone: '1234567890', field_we_dont_care_about: 'value_we_dont_care_about' }, states: [{ id: 1, name: 'New York', code: 'NY', field_we_dont_care_about: 'value_we_dont_care_about' }] } ``` To limit our results to only return the fields we care about, we specify the `select` query string parameter for the corresponding fields in the JSON document. In this case, we want to select `name` and `phone` from the `provider` key, so we would add the parameters `select=provider.name,provider.phone`. We also want the `name` and `code` from the `states` key, so we would add the parameters `select=states.name,states.code`. The id field of each document is always returned whether or not it is requested. Our final request would be `GET /providers/12345?select=provider.name,provider.phone,states.name,states.code` The response would be ``` { provider: { id: 1, name: 'John', phone: '1234567890' }, states: [{ id: 1, name: 'New York', code: 'NY' }] } ``` ## Benefits summary format Benefit cost-share strings are formatted to capture: * Network tiers * Compound or conditional cost-share * Limits on the cost-share * Benefit-specific maximum out-of-pocket costs **Example #1** As an example, we would represent [this Summary of Benefits &amp; Coverage](https://s3.amazonaws.com/vericred-data/SBC/2017/33602TX0780032.pdf) as: * **Hospital stay facility fees**: - Network Provider: `$400 copay/admit plus 20% coinsurance` - Out-of-Network Provider: `$1,500 copay/admit plus 50% coinsurance` - Vericred's format for this benefit: `In-Network: $400 before deductible then 20% after deductible / Out-of-Network: $1,500 before deductible then 50% after deductible` * **Rehabilitation services:** - Network Provider: `20% coinsurance` - Out-of-Network Provider: `50% coinsurance` - Limitations & Exceptions: `35 visit maximum per benefit period combined with Chiropractic care.` - Vericred's format for this benefit: `In-Network: 20% after deductible / Out-of-Network: 50% after deductible | limit: 35 visit(s) per Benefit Period` **Example #2** In [this other Summary of Benefits &amp; Coverage](https://s3.amazonaws.com/vericred-data/SBC/2017/40733CA0110568.pdf), the **specialty_drugs** cost-share has a maximum out-of-pocket for in-network pharmacies. * **Specialty drugs:** - Network Provider: `40% coinsurance up to a $500 maximum for up to a 30 day supply` - Out-of-Network Provider `Not covered` - Vericred's format for this benefit: `In-Network: 40% after deductible, up to $500 per script / Out-of-Network: 100%` **BNF** Here's a description of the benefits summary string, represented as a context-free grammar: ``` root ::= coverage coverage ::= (simple_coverage | tiered_coverage) (space pipe space coverage_modifier)? tiered_coverage ::= tier (space slash space tier)* tier ::= tier_name colon space (tier_coverage | not_applicable) tier_coverage ::= simple_coverage (space (then | or | and) space simple_coverage)* tier_limitation? simple_coverage ::= (pre_coverage_limitation space)? coverage_amount (space post_coverage_limitation)? (comma? space coverage_condition)? coverage_modifier ::= limit_condition colon space (((simple_coverage | simple_limitation) (semicolon space see_carrier_documentation)?) | see_carrier_documentation | waived_if_admitted | shared_across_tiers) waived_if_admitted ::= ("copay" space)? "waived if admitted" simple_limitation ::= pre_coverage_limitation space "copay applies" tier_name ::= "In-Network-Tier-2" | "Out-of-Network" | "In-Network" limit_condition ::= "limit" | "condition" tier_limitation ::= comma space "up to" space (currency | (integer space time_unit plural?)) (space post_coverage_limitation)? coverage_amount ::= currency | unlimited | included | unknown | percentage | (digits space (treatment_unit | time_unit) plural?) pre_coverage_limitation ::= first space digits space time_unit plural? post_coverage_limitation ::= (((then space currency) | "per condition") space)? "per" space (treatment_unit | (integer space time_unit) | time_unit) plural? coverage_condition ::= ("before deductible" | "after deductible" | "penalty" | allowance | "in-state" | "out-of-state") (space allowance)? allowance ::= upto_allowance | after_allowance upto_allowance ::= "up to" space (currency space)? "allowance" after_allowance ::= "after" space (currency space)? "allowance" see_carrier_documentation ::= "see carrier documentation for more information" shared_across_tiers ::= "shared across all tiers" unknown ::= "unknown" unlimited ::= /[uU]nlimited/ included ::= /[iI]ncluded in [mM]edical/ time_unit ::= /[hH]our/ | (((/[cC]alendar/ | /[cC]ontract/) space)? /[yY]ear/) | /[mM]onth/ | /[dD]ay/ | /[wW]eek/ | /[vV]isit/ | /[lL]ifetime/ | ((((/[bB]enefit/ plural?) | /[eE]ligibility/) space)? /[pP]eriod/) treatment_unit ::= /[pP]erson/ | /[gG]roup/ | /[cC]ondition/ | /[sS]cript/ | /[vV]isit/ | /[eE]xam/ | /[iI]tem/ | /[sS]tay/ | /[tT]reatment/ | /[aA]dmission/ | /[eE]pisode/ comma ::= "," colon ::= ":" semicolon ::= ";" pipe ::= "|" slash ::= "/" plural ::= "(s)" | "s" then ::= "then" | ("," space) | space or ::= "or" and ::= "and" not_applicable ::= "Not Applicable" | "N/A" | "NA" first ::= "first" currency ::= "$" number percentage ::= number "%" number ::= float | integer float ::= digits "." digits integer ::= /[0-9]/+ (comma_int | under_int)* comma_int ::= ("," /[0-9]/*3) !"_" under_int ::= ("_" /[0-9]/*3) !"," digits ::= /[0-9]/+ ("_" /[0-9]/+)* space ::= /[ \t]/+ ``` OpenAPI spec version: 1.0.0 Generated by: https://github.com/swagger-api/swagger-codegen.git 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. """ from __future__ import absolute_import import os import sys import unittest import vericred_client from vericred_client.rest import ApiException from vericred_client.apis.zip_counties_api import ZipCountiesApi class TestZipCountiesApi(unittest.TestCase): """ ZipCountiesApi unit test stubs """ def setUp(self): self.api = vericred_client.apis.zip_counties_api.ZipCountiesApi() def tearDown(self): pass def test_get_zip_counties(self): """ Test case for get_zip_counties Search for Zip Counties """ pass def test_show_zip_county(self): """ Test case for show_zip_county Show an individual ZipCounty """ pass if __name__ == '__main__': unittest.main()
vericred/vericred-python
test/test_zip_counties_api.py
Python
apache-2.0
10,219
[ "VisIt" ]
71351bd485f01996d0c0e8801338d205d00e855edaf4c5b329f9efee4fb8e6c2
""" This is the RFIO StorageClass """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = "$Id$" import re import os import time import six from DIRAC import gLogger, S_OK, S_ERROR from DIRAC.Resources.Storage.Utilities import checkArgumentFormat from DIRAC.Resources.Storage.StorageBase import StorageBase from DIRAC.Core.Utilities.Subprocess import shellCall from DIRAC.Core.Utilities.List import breakListIntoChunks from DIRAC.Core.Utilities.File import getSize class RFIOStorage(StorageBase): _INPUT_PROTOCOLS = ["file", "rfio"] _OUTPUT_PROTOCOLS = ["rfio"] def __init__(self, storageName, parameters): StorageBase.__init__(self, storageName, parameters) self.spaceToken = self.protocolParameters["SpaceToken"] self.isok = True self.pluginName = "RFIO" self.timeout = 100 self.long_timeout = 600 ############################################################# # # These are the methods for manipulating the client # def getName(self): """The name with which the storage was instantiated""" return S_OK(self.name) ############################################################# # # These are the methods for file manipulation # def exists(self, path): """Check if the given path exists. The 'path' variable can be a string or a list of strings.""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.exists: Determining the existance of %s files." % len(urls)) comm = "nsls -d" for url in urls: comm = " %s %s" % (comm, url) res = shellCall(self.timeout, comm) successful = {} failed = {} if res["OK"]: returncode, stdout, stderr = res["Value"] if returncode in [0, 1]: for line in stdout.splitlines(): url = line.strip() successful[url] = True for line in stderr.splitlines(): pfn, _ = line.split(": ") url = pfn.strip() successful[url] = False else: errStr = "RFIOStorage.exists: Completely failed to determine the existance files." gLogger.error(errStr, "%s %s" % (self.name, stderr)) return S_ERROR(errStr) else: errStr = "RFIOStorage.exists: Completely failed to determine the existance files." gLogger.error(errStr, "%s %s" % (self.name, res["Message"])) return S_ERROR(errStr) resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def isFile(self, path): """Check if the given path exists and it is a file""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.isFile: Determining whether %s paths are files." % len(urls)) successful = {} failed = {} comm = "nsls -ld" for url in urls: comm = " %s %s" % (comm, url) res = shellCall(self.timeout, comm) if not res["OK"]: return res returncode, stdout, stderr = res["Value"] if returncode in [0, 1]: for line in stdout.splitlines(): permissions, _subdirs, _owner, _group, _size, _month, _date, _timeYear, pfn = line.split() if permissions[0] != "d": successful[pfn] = True else: successful[pfn] = False for line in stderr.splitlines(): pfn, error = line.split(": ") url = pfn.strip() failed[url] = error else: errStr = "RFIOStorage.isFile: Completely failed to determine whether path is file." gLogger.error(errStr, "%s %s" % (self.name, stderr)) return S_ERROR(errStr) resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __getPathMetadata(self, urls): gLogger.debug("RFIOStorage.__getPathMetadata: Attempting to get metadata for %s paths." % (len(urls))) comm = "nsls -ld" for url in urls: comm = " %s %s" % (comm, url) res = shellCall(self.timeout, comm) successful = {} failed = {} if not res["OK"]: errStr = "RFIOStorage.__getPathMetadata: Completely failed to get path metadata." gLogger.error(errStr, res["Message"]) return S_ERROR(errStr) else: returncode, stdout, stderr = res["Value"] if returncode not in [0, 1]: errStr = "RFIOStorage.__getPathMetadata: failed to perform nsls." gLogger.error(errStr, stderr) else: for line in stdout.splitlines(): permissions, subdirs, owner, group, size, month, date, timeYear, pfn = line.split() successful[pfn] = {} if permissions[0] == "d": successful[pfn]["Type"] = "Directory" else: successful[pfn]["Type"] = "File" successful[pfn]["Mode"] = self.__permissionsToInt(permissions) successful[pfn]["NbSubDirs"] = subdirs successful[pfn]["Owner"] = owner successful[pfn]["Group"] = group successful[pfn]["Size"] = int(size) successful[pfn]["Month"] = month successful[pfn]["Date"] = date successful[pfn]["Year"] = timeYear for line in stderr.splitlines(): pfn, error = line.split(": ") url = pfn.strip() failed[url] = error resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __permissionsToInt(self, permissions): mode = permissions[1:] return sum(pow(2, 8 - i) * int(mode[i] != "-") for i in range(0, 9)) def __getFileMetadata(self, urls): gLogger.debug( "RFIOStorage.__getPathMetadata: Attempting to get additional metadata for %s files." % (len(urls)) ) # Check whether the files that exist are staged comm = "stager_qry -S %s" % self.spaceToken successful = {} for pfn in urls: successful[pfn] = {} comm = "%s -M %s" % (comm, pfn) res = shellCall(self.timeout, comm) if not res["OK"]: errStr = "RFIOStorage.__getFileMetadata: Completely failed to get cached status." gLogger.error(errStr, res["Message"]) return S_ERROR(errStr) else: _returncode, stdout, _stderr = res["Value"] for line in stdout.splitlines(): pfn = line.split()[0] status = line.split()[-1] if status in ["STAGED", "CANBEMIGR"]: successful[pfn]["Cached"] = True for pfn in urls: if "Cached" not in successful[pfn]: successful[pfn]["Cached"] = False # Now for the files that exist get the tape segment (i.e. whether they have been migrated) and related checksum comm = "nsls -lT --checksum" for pfn in urls: comm = "%s %s" % (comm, pfn) res = shellCall(self.timeout, comm) if not res["OK"]: errStr = "RFIOStorage.__getFileMetadata: Completely failed to get migration status." gLogger.error(errStr, res["Message"]) return S_ERROR(errStr) else: _returncode, stdout, _stderr = res["Value"] for line in stdout.splitlines(): pfn = line.split()[-1] checksum = line.split()[-2] successful[pfn]["Migrated"] = True successful[pfn]["Checksum"] = checksum for pfn in urls: if "Migrated" not in successful[pfn]: successful[pfn]["Migrated"] = False # Update all the metadata with the common one for lfn in successful: successful[lfn] = self._addCommonMetadata(successful[lfn]) resDict = {"Failed": {}, "Successful": successful} return S_OK(resDict) def getFile(self, path, localPath=False): """Get a local copy in the current directory of a physical file specified by its path""" res = checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] failed = {} successful = {} for src_url in urls.keys(): fileName = os.path.basename(src_url) if localPath: dest_file = "%s/%s" % (localPath, fileName) else: dest_file = "%s/%s" % (os.getcwd(), fileName) res = self.__getFile(src_url, dest_file) if res["OK"]: successful[src_url] = res["Value"] else: failed[src_url] = res["Message"] resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __getFile(self, src_url, dest_file): """Get a local copy in the current directory of a physical file specified by its path""" if not os.path.exists(os.path.dirname(dest_file)): os.makedirs(os.path.dirname(dest_file)) if os.path.exists(dest_file): gLogger.debug("RFIOStorage.getFile: Local file already exists %s. Removing..." % dest_file) os.remove(dest_file) res = self.__executeOperation(src_url, "getFileSize") if not res["OK"]: return S_ERROR(res["Message"]) remoteSize = res["Value"] MIN_BANDWIDTH = 1024 * 100 # 100 KB/s timeout = int(remoteSize / MIN_BANDWIDTH + 300) gLogger.debug("RFIOStorage.getFile: Executing transfer of %s to %s" % (src_url, dest_file)) comm = "rfcp %s %s" % (src_url, dest_file) res = shellCall(timeout, comm) if res["OK"]: returncode, _stdout, stderr = res["Value"] if returncode == 0: gLogger.debug("RFIOStorage.__getFile: Got file from storage, performing post transfer check.") localSize = getSize(dest_file) if localSize == remoteSize: gLogger.debug("RFIOStorage.getFile: Post transfer check successful.") return S_OK(localSize) errorMessage = "RFIOStorage.__getFile: Source and destination file sizes do not match." gLogger.error(errorMessage, src_url) else: errStr = "RFIOStorage.__getFile: Failed to get local copy of file." gLogger.error(errStr, stderr) errorMessage = "%s %s" % (errStr, stderr) else: errStr = "RFIOStorage.__getFile: Failed to get local copy of file." gLogger.error(errStr, res["Message"]) errorMessage = "%s %s" % (errStr, res["Message"]) if os.path.exists(dest_file): gLogger.debug("RFIOStorage.getFile: Removing local file %s." % dest_file) os.remove(dest_file) return S_ERROR(errorMessage) def putFile(self, path, sourceSize=0): res = checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] failed = {} successful = {} for dest_url, src_file in urls.items(): res = self.__executeOperation(os.path.dirname(dest_url), "createDirectory") if not res["OK"]: failed[dest_url] = res["Message"] else: res = self.__putFile(src_file, dest_url, sourceSize) if res["OK"]: successful[dest_url] = res["Value"] else: failed[dest_url] = res["Message"] resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __putFile(self, src_file, dest_url, sourceSize): """Put a copy of the local file to the current directory on the physical storage""" # Pre-transfer check res = self.__executeOperation(dest_url, "exists") if not res["OK"]: gLogger.debug("RFIOStorage.__putFile: Failed to find pre-existance of destination file.") return res if res["Value"]: res = self.__executeOperation(dest_url, "removeFile") if not res["OK"]: gLogger.debug("RFIOStorage.__putFile: Failed to remove remote file %s." % dest_url) else: gLogger.debug("RFIOStorage.__putFile: Removed remote file %s." % dest_url) if not os.path.exists(src_file): errStr = "RFIOStorage.__putFile: The source local file does not exist." gLogger.error(errStr, src_file) return S_ERROR(errStr) sourceSize = getSize(src_file) if sourceSize == -1: errStr = "RFIOStorage.__putFile: Failed to get file size." gLogger.error(errStr, src_file) return S_ERROR(errStr) res = self.__getTransportURL(dest_url) if not res["OK"]: gLogger.debug("RFIOStorage.__putFile: Failed to get transport URL for file.") return res turl = res["Value"] MIN_BANDWIDTH = 1024 * 100 # 100 KB/s timeout = sourceSize / MIN_BANDWIDTH + 300 gLogger.debug("RFIOStorage.putFile: Executing transfer of %s to %s" % (src_file, turl)) comm = "rfcp %s '%s'" % (src_file, turl) res = shellCall(timeout, comm) if res["OK"]: returncode, _stdout, stderr = res["Value"] if returncode == 0: gLogger.debug("RFIOStorage.putFile: Put file to storage, performing post transfer check.") res = self.__executeOperation(dest_url, "getFileSize") if res["OK"]: destinationSize = res["Value"] if sourceSize == destinationSize: gLogger.debug("RFIOStorage.__putFile: Post transfer check successful.") return S_OK(destinationSize) errorMessage = "RFIOStorage.__putFile: Source and destination file sizes do not match." gLogger.error(errorMessage, dest_url) else: errStr = "RFIOStorage.__putFile: Failed to put file to remote storage." gLogger.error(errStr, stderr) errorMessage = "%s %s" % (errStr, stderr) else: errStr = "RFIOStorage.__putFile: Failed to put file to remote storage." gLogger.error(errStr, res["Message"]) errorMessage = "%s %s" % (errStr, res["Message"]) res = self.__executeOperation(dest_url, "removeFile") if res["OK"]: gLogger.debug("RFIOStorage.__putFile: Removed remote file remnant %s." % dest_url) else: gLogger.debug("RFIOStorage.__putFile: Unable to remove remote file remnant %s." % dest_url) return S_ERROR(errorMessage) def removeFile(self, path): """Remove physically the file specified by its path""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] successful = {} failed = {} listOfLists = breakListIntoChunks(urls, 100) for urls in listOfLists: gLogger.debug("RFIOStorage.removeFile: Attempting to remove %s files." % len(urls)) comm = "stager_rm -S %s" % self.spaceToken for url in urls: comm = "%s -M %s" % (comm, url) res = shellCall(100, comm) if res["OK"]: returncode, _stdout, stderr = res["Value"] if returncode in [0, 1]: comm = "nsrm -f" for url in urls: comm = "%s %s" % (comm, url) res = shellCall(100, comm) if res["OK"]: returncode, _stdout, stderr = res["Value"] if returncode in [0, 1]: for pfn in urls: successful[pfn] = True else: errStr = "RFIOStorage.removeFile. Completely failed to remove files from the nameserver." gLogger.error(errStr, stderr) for pfn in urls: failed[pfn] = errStr else: errStr = "RFIOStorage.removeFile. Completely failed to remove files from the nameserver." gLogger.error(errStr, res["Message"]) for pfn in urls: failed[pfn] = errStr else: errStr = "RFIOStorage.removeFile. Completely failed to remove files from the stager." gLogger.error(errStr, stderr) for pfn in urls: failed[pfn] = errStr else: errStr = "RFIOStorage.removeFile. Completely failed to remove files from the stager." gLogger.error(errStr, res["Message"]) for pfn in urls: failed[pfn] = errStr resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def getFileMetadata(self, path): """Get metadata associated to the file""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.getFileMetadata: Obtaining metadata for %s files." % len(urls)) res = self.__getPathMetadata(urls) if not res["OK"]: return res failed = {} successful = {} for pfn, error in res["Value"]["Failed"].items(): if error == "No such file or directory": failed[pfn] = "File does not exist" else: failed[pfn] = error files = [] for pfn, pfnDict in res["Value"]["Successful"].items(): if pfnDict["Type"] == "Directory": failed[pfn] = "Supplied path is not a file" else: successful[pfn] = res["Value"]["Successful"][pfn] files.append(pfn) if files: res = self.__getFileMetadata(files) if not res["OK"]: return res for pfn, pfnDict in res["Value"]["Successful"].items(): successful[pfn].update(pfnDict) resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def getFileSize(self, path): """Get the physical size of the given file""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.getFileSize: Determining the sizes for %s files." % len(urls)) res = self.__getPathMetadata(urls) if not res["OK"]: return res failed = {} successful = {} for pfn, error in res["Value"]["Failed"].items(): if error == "No such file or directory": failed[pfn] = "File does not exist" else: failed[pfn] = error for pfn, pfnDict in res["Value"]["Successful"].items(): if pfnDict["Type"] == "Directory": failed[pfn] = "Supplied path is not a file" else: successful[pfn] = res["Value"]["Successful"][pfn]["Size"] resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def prestageFile(self, path): """Issue prestage request for file""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] userTag = "%s-%s" % (self.spaceToken, time.time()) comm = "stager_get -S %s -U %s " % (self.spaceToken, userTag) for url in urls: comm = "%s -M %s" % (comm, url) res = shellCall(100, comm) successful = {} failed = {} if res["OK"]: returncode, stdout, stderr = res["Value"] if returncode in [0, 1]: for line in stdout.splitlines(): if re.search("SUBREQUEST_READY", line): pfn, _status = line.split() successful[pfn] = userTag elif re.search("SUBREQUEST_FAILED", line): pfn, _status, err = line.split(" ", 2) failed[pfn] = err else: errStr = "RFIOStorage.prestageFile: Got unexpected return code from stager_get." gLogger.error(errStr, stderr) return S_ERROR(errStr) else: errStr = "RFIOStorage.prestageFile: Completely failed to issue stage requests." gLogger.error(errStr, res["Message"]) return S_ERROR(errStr) resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def prestageFileStatus(self, path): """Monitor the status of a prestage request""" res = checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] successful = {} failed = {} requestFiles = {} for url, requestID in urls.items(): if requestID not in requestFiles: requestFiles[requestID] = [] requestFiles[requestID].append(url) for requestID, urls in requestFiles.items(): comm = "stager_qry -S %s -U %s " % (self.spaceToken, requestID) res = shellCall(100, comm) if res["OK"]: returncode, stdout, stderr = res["Value"] if returncode in [0, 1]: for line in stdout.splitlines(): pfn = line.split()[0] status = line.split()[-1] if status in ["STAGED", "CANBEMIGR"]: successful[pfn] = True else: successful[pfn] = False else: errStr = "RFIOStorage.prestageFileStatus: Got unexpected return code from stager_get." gLogger.error(errStr, stderr) return S_ERROR(errStr) else: errStr = "RFIOStorage.prestageFileStatus: Completely failed to obtain prestage status." gLogger.error(errStr, res["Message"]) return S_ERROR(errStr) resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def getTransportURL(self, path, protocols=False): """Obtain the TURLs for the supplied path and protocols""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] successful = {} failed = {} res = self.exists(urls) if not res["OK"]: return res for path, exists in res["Value"]["Successful"].items(): if not exists: failed[path] = "File does not exist" else: res = self.__getTransportURL(path) if not res["OK"]: failed[path] = res["Message"] else: successful[path] = res["Value"] resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __getTransportURL(self, path): try: if self.spaceToken: tURL = "%s://%s:%s/?svcClass=%s&castorVersion=2&path=%s" % ( self.protocolParameters["Protocol"], self.protocolParameters["Host"], self.protocolParameters["Port"], self.spaceToken, path, ) else: tURL = "castor:%s" % (path) return S_OK(tURL) except Exception as x: errStr = "RFIOStorage.__getTransportURL: Exception while creating turl." gLogger.exception(errStr, self.name, x) return S_ERROR(errStr) ############################################################# # # These are the methods for directory manipulation # def isDirectory(self, path): """Check if the given path exists and it is a directory""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.isDirectory: Determining whether %s paths are directories." % len(urls)) res = self.__getPathMetadata(urls) if not res["OK"]: return res failed = {} successful = {} for pfn, error in res["Value"]["Failed"].items(): if error == "No such file or directory": failed[pfn] = "Directory does not exist" else: failed[pfn] = error for pfn, pfnDict in res["Value"]["Successful"].items(): if pfnDict["Type"] == "Directory": successful[pfn] = True else: successful[pfn] = False resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def getDirectory(self, path, localPath=False): """Get locally a directory from the physical storage together with all its files and subdirectories.""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] successful = {} failed = {} gLogger.debug("RFIOStorage.getDirectory: Attempting to get local copies of %s directories." % len(urls)) for src_directory in urls: dirName = os.path.basename(src_directory) if localPath: dest_dir = "%s/%s" % (localPath, dirName) else: dest_dir = "%s/%s" % (os.getcwd(), dirName) res = self.__getDir(src_directory, dest_dir) if res["OK"]: if res["Value"]["AllGot"]: gLogger.debug("RFIOStorage.getDirectory: Successfully got local copy of %s" % src_directory) successful[src_directory] = {"Files": res["Value"]["Files"], "Size": res["Value"]["Size"]} else: gLogger.error("RFIOStorage.getDirectory: Failed to get entire directory.", src_directory) failed[src_directory] = {"Files": res["Value"]["Files"], "Size": res["Value"]["Size"]} else: gLogger.error( "RFIOStorage.getDirectory: Completely failed to get local copy of directory.", src_directory ) failed[src_directory] = {"Files": 0, "Size": 0} resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __getDir(self, srcDirectory, destDirectory): """Black magic contained within...""" filesGot = 0 sizeGot = 0 # Check the remote directory exists res = self.isDirectory(srcDirectory) if not res["OK"]: errStr = "RFIOStorage.__getDir: Failed to find the supplied source directory." gLogger.error(errStr, srcDirectory) return S_ERROR(errStr) if srcDirectory not in res["Value"]["Successful"]: errStr = "RFIOStorage.__getDir: Failed to find the supplied source directory." gLogger.error(errStr, srcDirectory) return S_ERROR(errStr) if not res["Value"]["Successful"][srcDirectory]: errStr = "RFIOStorage.__getDir: The supplied source directory does not exist." gLogger.error(errStr, srcDirectory) return S_ERROR(errStr) # Check the local directory exists and create it if not if not os.path.exists(destDirectory): os.makedirs(destDirectory) # Get the remote directory contents res = self.listDirectory(srcDirectory) if not res["OK"]: errStr = "RFIOStorage.__getDir: Failed to list the source directory." gLogger.error(errStr, srcDirectory) if srcDirectory not in res["Value"]["Successful"]: errStr = "RFIOStorage.__getDir: Failed to list the source directory." gLogger.error(errStr, srcDirectory) surlsDict = res["Value"]["Successful"][srcDirectory]["Files"] subDirsDict = res["Value"]["Successful"][srcDirectory]["SubDirs"] # First get all the files in the directory gotFiles = True for surl in surlsDict.keys(): surlGot = False fileSize = surlsDict[surl]["Size"] fileName = os.path.basename(surl) localPath = "%s/%s" % (destDirectory, fileName) fileDict = {surl: localPath} res = self.getFile(fileDict) if res["OK"]: if surl in res["Value"]["Successful"]: filesGot += 1 sizeGot += fileSize surlGot = True if not surlGot: gotFiles = False # Then recursively get the sub directories subDirsGot = True for subDir in subDirsDict.keys(): subDirName = os.path.basename(subDir) localPath = "%s/%s" % (destDirectory, subDirName) dirSuccessful = False res = self.__getDir(subDir, localPath) if res["OK"]: if res["Value"]["AllGot"]: dirSuccessful = True filesGot += res["Value"]["Files"] sizeGot += res["Value"]["Size"] if not dirSuccessful: subDirsGot = False # Check whether all the operations were successful if subDirsGot and gotFiles: allGot = True else: allGot = False resDict = {"AllGot": allGot, "Files": filesGot, "Size": sizeGot} return S_OK(resDict) def putDirectory(self, path): """Put a local directory to the physical storage together with all its files and subdirectories.""" res = checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] successful = {} failed = {} gLogger.debug("RFIOStorage.putDirectory: Attemping to put %s directories to remote storage." % len(urls)) for destDir, sourceDir in urls.items(): res = self.__putDir(sourceDir, destDir) if res["OK"]: if res["Value"]["AllPut"]: gLogger.debug( "RFIOStorage.putDirectory: Successfully put directory to remote storage: %s" % destDir ) successful[destDir] = {"Files": res["Value"]["Files"], "Size": res["Value"]["Size"]} else: gLogger.error( "RFIOStorage.putDirectory: Failed to put entire directory to remote storage.", destDir ) failed[destDir] = {"Files": res["Value"]["Files"], "Size": res["Value"]["Size"]} else: gLogger.error( "RFIOStorage.putDirectory: Completely failed to put directory to remote storage.", destDir ) failed[destDir] = {"Files": 0, "Size": 0} resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __putDir(self, src_directory, dest_directory): """Black magic contained within...""" filesPut = 0 sizePut = 0 # Check the local directory exists if not os.path.isdir(src_directory): errStr = "RFIOStorage.__putDir: The supplied source directory does not exist." gLogger.error(errStr, src_directory) return S_ERROR(errStr) # Create the remote directory res = self.createDirectory(dest_directory) if not res["OK"]: errStr = "RFIOStorage.__putDir: Failed to create destination directory." gLogger.error(errStr, dest_directory) return S_ERROR(errStr) # Get the local directory contents contents = os.listdir(src_directory) allSuccessful = True for cFile in contents: pathSuccessful = False localPath = "%s/%s" % (src_directory, cFile) remotePath = "%s/%s" % (dest_directory, cFile) if os.path.isdir(localPath): res = self.__putDir(localPath, remotePath) if res["OK"]: if res["Value"]["AllPut"]: pathSuccessful = True filesPut += res["Value"]["Files"] sizePut += res["Value"]["Size"] else: return S_ERROR("Failed to put directory") else: fileDict = {remotePath: localPath} res = self.putFile(fileDict) if res["OK"]: if remotePath in res["Value"]["Successful"]: filesPut += 1 sizePut += res["Value"]["Successful"][remotePath] pathSuccessful = True if not pathSuccessful: allSuccessful = False resDict = {"AllPut": allSuccessful, "Files": filesPut, "Size": sizePut} return S_OK(resDict) def createDirectory(self, path): res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] successful = {} failed = {} gLogger.debug("RFIOStorage.createDirectory: Attempting to create %s directories." % len(urls)) for url in urls: strippedUrl = url.rstrip("/") res = self.__makeDirs(strippedUrl) if res["OK"]: gLogger.debug("RFIOStorage.createDirectory: Successfully created directory on storage: %s" % url) successful[url] = True else: gLogger.error("RFIOStorage.createDirectory: Failed to create directory on storage.", url) failed[url] = res["Message"] resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __makeDir(self, path): # First create a local file that will be used as a directory place holder in storage name space comm = "nsmkdir -m 775 %s" % path res = shellCall(100, comm) if not res["OK"]: return res returncode, _stdout, stderr = res["Value"] if returncode not in [0]: return S_ERROR(stderr) return S_OK() def __makeDirs(self, path): """Black magic contained within....""" pDir = os.path.dirname(path) res = self.exists(path) if not res["OK"]: return res if res["OK"]: if path in res["Value"]["Successful"]: if res["Value"]["Successful"][path]: return S_OK() else: res = self.exists(pDir) if res["OK"]: if pDir in res["Value"]["Successful"]: if res["Value"]["Successful"][pDir]: res = self.__makeDir(path) else: res = self.__makeDirs(pDir) res = self.__makeDir(path) return res def removeDirectory(self, path, recursive=False): """Remove a directory on the physical storage together with all its files and subdirectories. """ res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.removeDirectory: Attempting to remove %s directories." % len(urls)) successful = {} failed = {} for url in urls: comm = "nsrm -r %s" % url res = shellCall(100, comm) if res["OK"]: returncode, _stdout, stderr = res["Value"] if returncode == 0: successful[url] = {"FilesRemoved": 0, "SizeRemoved": 0} elif returncode == 1: successful[url] = {"FilesRemoved": 0, "SizeRemoved": 0} else: failed[url] = stderr else: errStr = "RFIOStorage.removeDirectory: Completely failed to remove directory." gLogger.error(errStr, "%s %s" % (url, res["Message"])) failed[url] = res["Message"] resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def listDirectory(self, path): """List the supplied path. First checks whether the path is a directory then gets the contents.""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.listDirectory: Attempting to list %s directories." % len(urls)) res = self.isDirectory(urls) if not res["OK"]: return res successful = {} failed = res["Value"]["Failed"] directories = [] for url, isDirectory in res["Value"]["Successful"].items(): if isDirectory: directories.append(url) else: errStr = "RFIOStorage.listDirectory: Directory does not exist." gLogger.error(errStr, url) failed[url] = errStr for directory in directories: comm = "nsls -l %s" % directory res = shellCall(self.timeout, comm) if res["OK"]: returncode, stdout, stderr = res["Value"] if not returncode == 0: errStr = "RFIOStorage.listDirectory: Failed to list directory." gLogger.error(errStr, "%s %s" % (directory, stderr)) failed[directory] = errStr else: subDirs = {} files = {} successful[directory] = {} for line in stdout.splitlines(): permissions, _subdirs, _owner, _group, size, _month, _date, _timeYear, pfn = line.split() if not pfn == "dirac_directory": path = "%s/%s" % (directory, pfn) if permissions[0] == "d": # If the subpath is a directory subDirs[path] = True elif permissions[0] == "m": # In the case that the path is a migrated file files[path] = {"Size": int(size), "Migrated": 1} else: # In the case that the path is not migrated file files[path] = {"Size": int(size), "Migrated": 0} successful[directory]["SubDirs"] = subDirs successful[directory]["Files"] = files else: errStr = "RFIOStorage.listDirectory: Completely failed to list directory." gLogger.error(errStr, "%s %s" % (directory, res["Message"])) return S_ERROR(errStr) resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def getDirectoryMetadata(self, path): """Get the metadata for the directory""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.getDirectoryMetadata: Attempting to get metadata for %s directories." % len(urls)) res = self.isDirectory(urls) if not res["OK"]: return res successful = {} failed = res["Value"]["Failed"] directories = [] for url, isDirectory in res["Value"]["Successful"].items(): if isDirectory: directories.append(url) else: errStr = "RFIOStorage.getDirectoryMetadata: Directory does not exist." gLogger.error(errStr, url) failed[url] = errStr res = self.__getPathMetadata(directories) if not res["OK"]: return res else: failed.update(res["Value"]["Failed"]) successful = res["Value"]["Successful"] resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def getDirectorySize(self, path): """Get the size of the directory on the storage""" res = self.__checkArgumentFormat(path) if not res["OK"]: return res urls = res["Value"] gLogger.debug("RFIOStorage.getDirectorySize: Attempting to get size of %s directories." % len(urls)) res = self.listDirectory(urls) if not res["OK"]: return res failed = res["Value"]["Failed"] successful = {} for directory, dirDict in res["Value"]["Successful"].items(): directorySize = 0 directoryFiles = 0 filesDict = dirDict["Files"] for _fileURL, fileDict in filesDict.items(): directorySize += fileDict["Size"] directoryFiles += 1 gLogger.debug("RFIOStorage.getDirectorySize: Successfully obtained size of %s." % directory) successful[directory] = {"Files": directoryFiles, "Size": directorySize} resDict = {"Failed": failed, "Successful": successful} return S_OK(resDict) def __checkArgumentFormat(self, path): """FIXME: Can be replaced by a generic checkArgumentFormat Utility""" if isinstance(path, six.string_types): urls = [path] elif isinstance(path, list): urls = path elif isinstance(path, dict): urls = list(path) else: return S_ERROR("RFIOStorage.__checkArgumentFormat: Supplied path is not of the correct format.") return S_OK(urls) def __executeOperation(self, url, method): """Executes the requested functionality with the supplied url""" fcn = None if hasattr(self, method) and callable(getattr(self, method)): fcn = getattr(self, method) if not fcn: return S_ERROR("Unable to invoke %s, it isn't a member funtion of RFIOStorage" % method) res = fcn(url) if not res["OK"]: return res elif url not in res["Value"]["Successful"]: return S_ERROR(res["Value"]["Failed"][url]) return S_OK(res["Value"]["Successful"][url])
ic-hep/DIRAC
src/DIRAC/Resources/Storage/RFIOStorage.py
Python
gpl-3.0
43,317
[ "DIRAC" ]
e6a37fde11e6b467d05d3fbb86f2bd1cca2df2e665134b817bb8aa5cef15cb55
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2013 Stanford University and the Authors # # Authors: Robert McGibbon # Contributors: # # MDTraj 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 2.1 # of the License, or (at your option) any later version. # # This library 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 MDTraj. If not, see <http://www.gnu.org/licenses/>. ############################################################################## from __future__ import print_function import os import shutil import tempfile import numpy as np try: from simtk.unit import * from simtk.openmm import * from simtk.openmm.app import * HAVE_OPENMM = True except ImportError: HAVE_OPENMM = False import mdtraj as md from mdtraj.testing import get_fn, eq, skipif from mdtraj.reporters import hdf5reporter, netcdfreporter from mdtraj.reporters import HDF5Reporter, NetCDFReporter, DCDReporter from mdtraj.formats import HDF5TrajectoryFile, NetCDFTrajectoryFile dir = tempfile.mkdtemp() def teardown_module(module): """remove the temporary directory created by tests in this file this gets automatically called by nose""" shutil.rmtree(dir) @skipif(not HAVE_OPENMM, 'No OpenMM') def test_reporter(): tempdir = os.path.join(dir, 'test1') os.makedirs(tempdir) pdb = PDBFile(get_fn('native.pdb')) forcefield = ForceField('amber99sbildn.xml', 'amber99_obc.xml') # NO PERIODIC BOUNDARY CONDITIONS system = forcefield.createSystem(pdb.topology, nonbondedMethod=CutoffNonPeriodic, nonbondedCutoff=1.0*nanometers, constraints=HBonds, rigidWater=True) integrator = LangevinIntegrator(300*kelvin, 1.0/picoseconds, 2.0*femtoseconds) integrator.setConstraintTolerance(0.00001) platform = Platform.getPlatformByName('Reference') simulation = Simulation(pdb.topology, system, integrator, platform) simulation.context.setPositions(pdb.positions) simulation.context.setVelocitiesToTemperature(300*kelvin) hdf5file = os.path.join(tempdir, 'traj.h5') ncfile = os.path.join(tempdir, 'traj.nc') dcdfile = os.path.join(tempdir, 'traj.dcd') reporter = HDF5Reporter(hdf5file, 2, coordinates=True, time=True, cell=True, potentialEnergy=True, kineticEnergy=True, temperature=True, velocities=True) reporter2 = NetCDFReporter(ncfile, 2, coordinates=True, time=True, cell=True) reporter3 = DCDReporter(dcdfile, 2) simulation.reporters.append(reporter) simulation.reporters.append(reporter2) simulation.reporters.append(reporter3) simulation.step(100) reporter.close() reporter2.close() reporter3.close() with HDF5TrajectoryFile(hdf5file) as f: got = f.read() eq(got.temperature.shape, (50,)) eq(got.potentialEnergy.shape, (50,)) eq(got.kineticEnergy.shape, (50,)) eq(got.coordinates.shape, (50, 22, 3)) eq(got.velocities.shape, (50, 22, 3)) eq(got.cell_lengths, None) eq(got.cell_angles, None) eq(got.time, 0.002*2*(1+np.arange(50))) assert f.topology == md.load(get_fn('native.pdb')).top with NetCDFTrajectoryFile(ncfile) as f: xyz, time, cell_lengths, cell_angles = f.read() eq(cell_lengths, None) eq(cell_angles, None) eq(time, 0.002*2*(1+np.arange(50))) hdf5_traj = md.load(hdf5file) dcd_traj = md.load(dcdfile, top=get_fn('native.pdb')) netcdf_traj = md.load(ncfile, top=get_fn('native.pdb')) # we don't have to convert units here, because md.load already # handles that assert hdf5_traj.unitcell_vectors is None eq(hdf5_traj.xyz, netcdf_traj.xyz) eq(hdf5_traj.unitcell_vectors, netcdf_traj.unitcell_vectors) eq(hdf5_traj.time, netcdf_traj.time) eq(dcd_traj.xyz, hdf5_traj.xyz) # yield lambda: eq(dcd_traj.unitcell_vectors, hdf5_traj.unitcell_vectors) @skipif(not HAVE_OPENMM, 'No OpenMM') def test_reporter_subset(): tempdir = os.path.join(dir, 'test2') os.makedirs(tempdir) pdb = PDBFile(get_fn('native2.pdb')) pdb.topology.setUnitCellDimensions([2, 2, 2]) forcefield = ForceField('amber99sbildn.xml', 'amber99_obc.xml') system = forcefield.createSystem(pdb.topology, nonbondedMethod=CutoffPeriodic, nonbondedCutoff=1*nanometers, constraints=HBonds, rigidWater=True) integrator = LangevinIntegrator(300*kelvin, 1.0/picoseconds, 2.0*femtoseconds) integrator.setConstraintTolerance(0.00001) platform = Platform.getPlatformByName('Reference') simulation = Simulation(pdb.topology, system, integrator, platform) simulation.context.setPositions(pdb.positions) simulation.context.setVelocitiesToTemperature(300*kelvin) hdf5file = os.path.join(tempdir, 'traj.h5') ncfile = os.path.join(tempdir, 'traj.nc') dcdfile= os.path.join(tempdir, 'traj.dcd') atomSubset = [0,1,2, 4,5] reporter = HDF5Reporter(hdf5file, 2, coordinates=True, time=True, cell=True, potentialEnergy=True, kineticEnergy=True, temperature=True, velocities=True, atomSubset=atomSubset) reporter2 = NetCDFReporter(ncfile, 2, coordinates=True, time=True, cell=True, atomSubset=atomSubset) reporter3 = DCDReporter(dcdfile, 2, atomSubset=atomSubset) simulation.reporters.append(reporter) simulation.reporters.append(reporter2) simulation.reporters.append(reporter3) simulation.step(100) reporter.close() reporter2.close() reporter3.close() t = md.load(get_fn('native.pdb')) t.restrict_atoms(atomSubset) with HDF5TrajectoryFile(hdf5file) as f: got = f.read() eq(got.temperature.shape, (50,)) eq(got.potentialEnergy.shape, (50,)) eq(got.kineticEnergy.shape, (50,)) eq(got.coordinates.shape, (50, len(atomSubset), 3)) eq(got.velocities.shape, (50, len(atomSubset), 3)) eq(got.cell_lengths, 2 * np.ones((50, 3))) eq(got.cell_angles, 90*np.ones((50, 3))) eq(got.time, 0.002*2*(1+np.arange(50))) assert f.topology == md.load(get_fn('native.pdb'), atom_indices=atomSubset).topology with NetCDFTrajectoryFile(ncfile) as f: xyz, time, cell_lengths, cell_angles = f.read() eq(cell_lengths, 20 * np.ones((50, 3))) eq(cell_angles, 90*np.ones((50, 3))) eq(time, 0.002*2*(1+np.arange(50))) eq(xyz.shape, (50, len(atomSubset), 3)) hdf5_traj = md.load(hdf5file) dcd_traj = md.load(dcdfile, top=hdf5_traj) netcdf_traj = md.load(ncfile, top=hdf5_traj) # we don't have to convert units here, because md.load already handles # that eq(hdf5_traj.xyz, netcdf_traj.xyz) eq(hdf5_traj.unitcell_vectors, netcdf_traj.unitcell_vectors) eq(hdf5_traj.time, netcdf_traj.time) eq(dcd_traj.xyz, hdf5_traj.xyz) eq(dcd_traj.unitcell_vectors, hdf5_traj.unitcell_vectors)
ctk3b/mdtraj
mdtraj/tests/test_reporter.py
Python
lgpl-2.1
7,441
[ "MDTraj", "OpenMM" ]
97acec2556098ddb4e0f1ce2af1b47a0b755f156857afe921cd1b5818269550a
# Generated from asparagram.g4 by ANTLR 4.5.1 from antlr4 import * if __name__ is not None and "." in __name__: from .asparagramParser import asparagramParser else: from asparagramParser import asparagramParser # This class defines a complete generic visitor for a parse tree produced by asparagramParser. class asparagramVisitor(ParseTreeVisitor): # Visit a parse tree produced by asparagramParser#rlRoot. def visitRlRoot(self, ctx:asparagramParser.RlRootContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlStmt. def visitRlStmt(self, ctx:asparagramParser.RlStmtContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlGlobStmt. def visitRlGlobStmt(self, ctx:asparagramParser.RlGlobStmtContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlObjStmt. def visitRlObjStmt(self, ctx:asparagramParser.RlObjStmtContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlDynStmt. def visitRlDynStmt(self, ctx:asparagramParser.RlDynStmtContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlGlobStmts. def visitRlGlobStmts(self, ctx:asparagramParser.RlGlobStmtsContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlObjStmts. def visitRlObjStmts(self, ctx:asparagramParser.RlObjStmtsContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlDynStmts. def visitRlDynStmts(self, ctx:asparagramParser.RlDynStmtsContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlCallStmt. def visitRlCallStmt(self, ctx:asparagramParser.RlCallStmtContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlSetStmt. def visitRlSetStmt(self, ctx:asparagramParser.RlSetStmtContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlPlaceStmt. def visitRlPlaceStmt(self, ctx:asparagramParser.RlPlaceStmtContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlPos. def visitRlPos(self, ctx:asparagramParser.RlPosContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlNPropList. def visitRlNPropList(self, ctx:asparagramParser.RlNPropListContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlProperty. def visitRlProperty(self, ctx:asparagramParser.RlPropertyContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlValue. def visitRlValue(self, ctx:asparagramParser.RlValueContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlConnection. def visitRlConnection(self, ctx:asparagramParser.RlConnectionContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlRef. def visitRlRef(self, ctx:asparagramParser.RlRefContext): return self.visitChildren(ctx) # Visit a parse tree produced by asparagramParser#rlOff. def visitRlOff(self, ctx:asparagramParser.RlOffContext): return self.visitChildren(ctx) del asparagramParser
Caian/Asparagus
asparagramVisitor.py
Python
gpl-2.0
3,513
[ "VisIt" ]
7c1913ef8fad7dc166efd26436e18c2b10999e0a6f2eecec6d54bf4e634dc554
import warnings import matplotlib.pyplot as plt import numpy as np from sklearn.preprocessing import normalize class RandomWalk2D: ''' Class for TD-lambda random walk ''' def __init__(self, grid_size=3, end_states=[(0,0)], rewards=[1], \ exploration=.1, move_cost=0, alpha=.3, gamma=.9, lmbda=.7): self.n = grid_size self.alpha = alpha self.gamma = gamma self.lmbda = lmbda self.end_states = end_states self.move_cost = move_cost self.rewards = rewards self.e = exploration self.actions = [(-1,0), (1,0), (0,-1), (0,1)] # history for plot self.h = np.zeros((self.n, self.n, len(self.actions)), dtype=int) # invalid move penality for first time self.v = np.zeros((self.n, self.n)) for idx, state in enumerate(end_states): self.v[state] = rewards[idx] / (1-lmbda) def valid_moves(self, state): moves = [] if state[0] != 0: moves.append(0) if state[0] != self.n - 1: moves.append(1) if state[1] != 0: moves.append(2) if state[1] != self.n - 1: moves.append(3) return moves def choose_action(self, state): moves = self.valid_moves(state) if np.random.uniform() < self.e: return np.random.choice(moves) values = np.zeros(len(moves)) for idx, move in enumerate(moves): values[idx] = self.v[self.move(state, move)] return moves[np.argmax(values)] def move(self, state, action): return tuple([x+y for x,y in zip(state, self.actions[action])]) def episode(self): old_v = np.copy(self.v) z = np.zeros((self.n, self.n)) state = self.end_states[0] while state in self.end_states: state = tuple(np.random.random_integers(0, self.n - 1, size=2)) visited = set() reward, end = 0, False while not end: action = self.choose_action(state) reward -= self.move_cost state1 = self.move(state, action) if state1 in self.end_states: reward += self.rewards[self.end_states.index(state1)] end = True delta = reward + self.gamma*self.v[state1] - self.v[state] z[state] = 1 #replacing trace #z[state] += 1 #accumulative trace visited.add(state) for s in visited: self.v[s] += self.alpha*delta*z[s] z[s] *= self.gamma*self.lmbda visited = set([x for x in visited if z[x] < 1e-5]) self.h[(state[0], state[1], action)] += 1 state = state1 return np.amax(np.abs(self.v - old_v)) def policy(self): e, self.e = self.e, 0 policy = np.zeros((self.n,self.n), dtype=int) for y in range(self.n): for x in range(self.n): policy[y,x] = self.choose_action((y,x)) self.e = e return policy def arrow(self, m): dx, dy = 0, 0 if m == 0: dx, dy = 0, -.3 elif m == 1: dx, dy = 0, .3 elif m == 2: dx, dy = -.3, 0 elif m == 3: dx, dy = .3, 0 return dx, dy def plot(self, axis): policy = self.policy() maxh = np.amax(self.h)*.2 for y in range(self.n): for x in range(self.n): cx, cy = x + .5, y + .5 if (y,x) in self.end_states: v = self.rewards[self.end_states.index((y,x))] c = 'coral' if v < 0 else 'lime' axis.add_artist(plt.Circle((cx, cy), .3, color=c)) axis.text(cx, cy, str(v), fontsize=15, horizontalalignment='center', verticalalignment='center') else: #v = float(self.v[y,x]) #c = 'coral' if v < 0 else 'lime' #axis.add_artist(plt.Circle((cx, cy), .3, color=c)) moves = np.copy(self.h[y, x, :]) for m, v in np.ndenumerate(moves): v = 1 - min(1, v / maxh) dx, dy = self.arrow(m[0]) c = '#{0:02x}{0:02x}ff'.format(int(v*255)) plt.arrow(cx, cy, dx, dy, head_width=.2, head_length=.2, fc=c, ec=c) dx, dy = self.arrow(policy[(y,x)]) plt.arrow(cx, cy, dx, dy, head_width=.2, head_length=.2, fc='k', ec='k') self.h //= 10 def main(): exp = RandomWalk2D(grid_size=5, exploration=0.01, move_cost=0.01, \ end_states=[(0,0), (4,4), (1,2), (2,1)], \ rewards=[2,1,-2,-1], \ alpha=.3, gamma=.9, lmbda=.8) display_interval = 100 figure, axis = plt.subplots() figure.canvas.set_window_title('SARSA') axis.set_xlim([0,exp.n]) axis.xaxis.tick_top() axis.set_ylim([exp.n, 0]) for iter in range(1000): delta = 0 for sub_iter in range(display_interval): delta = exp.episode() print(exp.v) axis.cla() exp.plot(axis) plt.title('Policy Iteration: {0}, delta = {1:.7f}' \ .format((iter+1)*display_interval, delta), y=1.08) plt.xlabel('Blue: visit-frequency, Black: optimal-policy') axis.set_aspect('equal') plt.draw() with warnings.catch_warnings(): warnings.simplefilter("ignore") plt.pause(.001) plt.show() if __name__ == '__main__': main()
rahulsrma26/code-gems
RL/randomWalk/TDLambda.py
Python
mit
5,584
[ "VisIt" ]
fe520187adf586f293331f816d898f9979aba11d3d80fc0b104726ae2fc0c956
## # Copyright 2009-2015 Ghent University # # This file is part of EasyBuild, # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en), # with support of Ghent University (http://ugent.be/hpc), # the Flemish Supercomputer Centre (VSC) (https://vscentrum.be/nl/en), # the Hercules foundation (http://www.herculesstichting.be/in_English) # and the Department of Economy, Science and Innovation (EWI) (http://www.ewi-vlaanderen.be/en). # # http://github.com/hpcugent/easybuild # # EasyBuild 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 v2. # # EasyBuild 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 EasyBuild. If not, see <http://www.gnu.org/licenses/>. ## """ EasyBuild support for building and installing NWChem, implemented as an easyblock @author: Kenneth Hoste (Ghent University) """ import os import re import shutil import stat import tempfile import easybuild.tools.config as config import easybuild.tools.environment as env import easybuild.tools.toolchain as toolchain from distutils.version import LooseVersion from easybuild.easyblocks.generic.configuremake import ConfigureMake from easybuild.framework.easyconfig import CUSTOM from easybuild.tools.build_log import EasyBuildError from easybuild.tools.filetools import adjust_permissions, mkdir, write_file from easybuild.tools.modules import get_software_libdir, get_software_root, get_software_version from easybuild.tools.run import run_cmd class EB_NWChem(ConfigureMake): """Support for building/installing NWChem.""" def __init__(self, *args, **kwargs): """Initialisation of custom class variables for NWChem.""" super(EB_NWChem, self).__init__(*args, **kwargs) self.test_cases_dir = None # path for symlink to local copy of default .nwchemrc, required by NWChem at runtime # this path is hardcoded by NWChem, and there's no way to make it use a config file at another path... self.home_nwchemrc = os.path.join(os.getenv('HOME'), '.nwchemrc') # local NWChem .nwchemrc config file, to which symlink will point # using this approach, multiple parallel builds (on different nodes) can use the same symlink common_tmp_dir = os.path.dirname(tempfile.gettempdir()) # common tmp directory, same across nodes self.local_nwchemrc = os.path.join(common_tmp_dir, os.getenv('USER'), 'easybuild_nwchem', '.nwchemrc') @staticmethod def extra_options(): """Custom easyconfig parameters for NWChem.""" extra_vars = { 'target': ["LINUX64", "Target platform", CUSTOM], # possible options for ARMCI_NETWORK on LINUX64 with Infiniband: # OPENIB, MPI-MT, MPI-SPAWN, MELLANOX 'armci_network': ["OPENIB", "Network protocol to use", CUSTOM], 'msg_comms': ["MPI", "Type of message communication", CUSTOM], 'modules': ["all", "NWChem modules to build", CUSTOM], 'lib_defines': ["", "Additional defines for C preprocessor", CUSTOM], 'tests': [True, "Run example test cases", CUSTOM], # lots of tests fail, so allow a certain fail ratio 'max_fail_ratio': [0.5, "Maximum test case fail ratio", CUSTOM], } return ConfigureMake.extra_options(extra_vars) def setvar_env_makeopt(self, name, value): """Set a variable both in the environment and a an option to make.""" env.setvar(name, value) self.cfg.update('buildopts', "%s='%s'" % (name, value)) def configure_step(self): """Custom configuration procedure for NWChem.""" # check whether a (valid) symlink to a .nwchemrc config file exists (via a dummy file if necessary) # fail early if the link is not what's we expect, since running the test cases will likely fail in this case try: if os.path.exists(self.home_nwchemrc) or os.path.islink(self.home_nwchemrc): # create a dummy file to check symlink if not os.path.exists(self.local_nwchemrc): write_file(self.local_nwchemrc, 'dummy') self.log.debug("Contents of %s: %s", os.path.dirname(self.local_nwchemrc), os.listdir(os.path.dirname(self.local_nwchemrc))) if os.path.islink(self.home_nwchemrc) and not os.path.samefile(self.home_nwchemrc, self.local_nwchemrc): raise EasyBuildError("Found %s, but it's not a symlink to %s. " "Please (re)move %s while installing NWChem; it can be restored later", self.home_nwchemrc, self.local_nwchemrc, self.home_nwchemrc) # ok to remove, we'll recreate it anyway os.remove(self.local_nwchemrc) except (IOError, OSError), err: raise EasyBuildError("Failed to validate %s symlink: %s", self.home_nwchemrc, err) # building NWChem in a long path name is an issue, so let's try to make sure we have a short one try: # NWChem insists that version is in name of build dir tmpdir = tempfile.mkdtemp(suffix='-%s-%s' % (self.name, self.version)) # remove created directory, since we're not going to use it as is os.rmdir(tmpdir) # avoid having '['/']' characters in build dir name, NWChem doesn't like that start_dir = tmpdir.replace('[', '_').replace(']', '_') mkdir(os.path.dirname(start_dir), parents=True) os.symlink(self.cfg['start_dir'], start_dir) os.chdir(start_dir) self.cfg['start_dir'] = start_dir except OSError, err: raise EasyBuildError("Failed to symlink build dir to a shorter path name: %s", err) # change to actual build dir try: os.chdir('src') except OSError, err: raise EasyBuildError("Failed to change to build dir: %s", err) nwchem_modules = self.cfg['modules'] # set required NWChem environment variables env.setvar('NWCHEM_TOP', self.cfg['start_dir']) if len(self.cfg['start_dir']) > 64: # workaround for: # "The directory name chosen for NWCHEM_TOP is longer than the maximum allowed value of 64 characters" # see also https://svn.pnl.gov/svn/nwchem/trunk/src/util/util_nwchem_srcdir.F self.setvar_env_makeopt('NWCHEM_LONG_PATHS', 'Y') env.setvar('NWCHEM_TARGET', self.cfg['target']) env.setvar('MSG_COMMS', self.cfg['msg_comms']) env.setvar('ARMCI_NETWORK', self.cfg['armci_network']) if self.cfg['armci_network'] in ["OPENIB"]: env.setvar('IB_INCLUDE', "/usr/include") env.setvar('IB_LIB', "/usr/lib64") env.setvar('IB_LIB_NAME', "-libumad -libverbs -lpthread") if 'python' in self.cfg['modules']: python_root = get_software_root('Python') if not python_root: raise EasyBuildError("Python module not loaded, you should add Python as a dependency.") env.setvar('PYTHONHOME', python_root) pyver = '.'.join(get_software_version('Python').split('.')[0:2]) env.setvar('PYTHONVERSION', pyver) # if libreadline is loaded, assume it was a dependency for Python # pass -lreadline to avoid linking issues (libpython2.7.a doesn't include readline symbols) libreadline = get_software_root('libreadline') if libreadline: libreadline_libdir = os.path.join(libreadline, get_software_libdir('libreadline')) ncurses = get_software_root('ncurses') if not ncurses: raise EasyBuildError("ncurses is not loaded, but required to link with libreadline") ncurses_libdir = os.path.join(ncurses, get_software_libdir('ncurses')) readline_libs = ' '.join([ os.path.join(libreadline_libdir, 'libreadline.a'), os.path.join(ncurses_libdir, 'libcurses.a'), ]) extra_libs = os.environ.get('EXTRA_LIBS', '') env.setvar('EXTRA_LIBS', ' '.join([extra_libs, readline_libs])) env.setvar('LARGE_FILES', 'TRUE') env.setvar('USE_NOFSCHECK', 'TRUE') env.setvar('CCSDTLR', 'y') # enable CCSDTLR env.setvar('CCSDTQ', 'y') # enable CCSDTQ (compilation is long, executable is big) if LooseVersion(self.version) >= LooseVersion("6.2"): env.setvar('MRCC_METHODS','y') # enable multireference coupled cluster capability if LooseVersion(self.version) >= LooseVersion("6.5"): env.setvar('EACCSD','y') # enable EOM electron-attachemnt coupled cluster capability env.setvar('IPCCSD','y') # enable EOM ionization-potential coupled cluster capability for var in ['USE_MPI', 'USE_MPIF', 'USE_MPIF4']: env.setvar(var, 'y') for var in ['CC', 'CXX', 'F90']: env.setvar('MPI_%s' % var, os.getenv('MPI%s' % var)) env.setvar('MPI_LOC', os.path.dirname(os.getenv('MPI_INC_DIR'))) env.setvar('MPI_LIB', os.getenv('MPI_LIB_DIR')) env.setvar('MPI_INCLUDE', os.getenv('MPI_INC_DIR')) libmpi = None mpi_family = self.toolchain.mpi_family() if mpi_family in toolchain.OPENMPI: libmpi = "-lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil" elif mpi_family in [toolchain.INTELMPI]: if self.cfg['armci_network'] in ["MPI-MT"]: libmpi = "-lmpigf -lmpigi -lmpi_ilp64 -lmpi_mt" else: libmpi = "-lmpigf -lmpigi -lmpi_ilp64 -lmpi" elif mpi_family in [toolchain.MPICH, toolchain.MPICH2]: libmpi = "-lmpichf90 -lmpich -lopa -lmpl -lrt -lpthread" else: raise EasyBuildError("Don't know how to set LIBMPI for %s", mpi_family) env.setvar('LIBMPI', libmpi) # compiler optimization flags: set environment variables _and_ add them to list of make options self.setvar_env_makeopt('COPTIMIZE', os.getenv('CFLAGS')) self.setvar_env_makeopt('FOPTIMIZE', os.getenv('FFLAGS')) # BLAS and ScaLAPACK self.setvar_env_makeopt('BLASOPT', '%s -L%s %s %s' % (os.getenv('LDFLAGS'), os.getenv('MPI_LIB_DIR'), os.getenv('LIBSCALAPACK_MT'), libmpi)) self.setvar_env_makeopt('SCALAPACK', '%s %s' % (os.getenv('LDFLAGS'), os.getenv('LIBSCALAPACK_MT'))) if self.toolchain.options['i8']: size = 8 self.setvar_env_makeopt('USE_SCALAPACK_I8', 'y') self.cfg.update('lib_defines', '-DSCALAPACK_I8') else: self.setvar_env_makeopt('HAS_BLAS', 'yes') self.setvar_env_makeopt('USE_SCALAPACK', 'y') size = 4 # set sizes for lib in ['BLAS', 'LAPACK', 'SCALAPACK']: self.setvar_env_makeopt('%s_SIZE' % lib, str(size)) env.setvar('NWCHEM_MODULES', nwchem_modules) env.setvar('LIB_DEFINES', self.cfg['lib_defines']) # clean first (why not) run_cmd("make clean", simple=True, log_all=True, log_ok=True) # configure build cmd = "make %s nwchem_config" % self.cfg['buildopts'] run_cmd(cmd, simple=True, log_all=True, log_ok=True, log_output=True) def build_step(self): """Custom build procedure for NWChem.""" # set FC self.setvar_env_makeopt('FC', os.getenv('F77')) # check whether 64-bit integers should be used, and act on it if not self.toolchain.options['i8']: if self.cfg['parallel']: self.cfg.update('buildopts', '-j %s' % self.cfg['parallel']) run_cmd("make %s 64_to_32" % self.cfg['buildopts'], simple=True, log_all=True, log_ok=True, log_output=True) self.setvar_env_makeopt('USE_64TO32', "y") # unset env vars that cause trouble during NWChem build or cause build to generate incorrect stuff for var in ['CFLAGS', 'FFLAGS', 'LIBS']: val = os.getenv(var) if val: self.log.info("%s was defined as '%s', need to unset it to avoid problems..." % (var, val)) os.unsetenv(var) os.environ.pop(var) super(EB_NWChem, self).build_step(verbose=True) # build version info try: self.log.info("Building version info...") cwd = os.getcwd() os.chdir(os.path.join(self.cfg['start_dir'], 'src', 'util')) run_cmd("make version", simple=True, log_all=True, log_ok=True, log_output=True) run_cmd("make", simple=True, log_all=True, log_ok=True, log_output=True) os.chdir(os.path.join(self.cfg['start_dir'], 'src')) run_cmd("make link", simple=True, log_all=True, log_ok=True, log_output=True) os.chdir(cwd) except OSError, err: raise EasyBuildError("Failed to build version info: %s", err) # run getmem.nwchem script to assess memory availability and make an educated guess # this is an alternative to specifying -DDFLT_TOT_MEM via LIB_DEFINES # this recompiles the appropriate files and relinks if not 'DDFLT_TOT_MEM' in self.cfg['lib_defines']: try: os.chdir(os.path.join(self.cfg['start_dir'], 'contrib')) run_cmd("./getmem.nwchem", simple=True, log_all=True, log_ok=True, log_output=True) os.chdir(self.cfg['start_dir']) except OSError, err: raise EasyBuildError("Failed to run getmem.nwchem script: %s", err) def install_step(self): """Custom install procedure for NWChem.""" try: # binary bindir = os.path.join(self.installdir, 'bin') mkdir(bindir) shutil.copy(os.path.join(self.cfg['start_dir'], 'bin', self.cfg['target'], 'nwchem'), bindir) # data shutil.copytree(os.path.join(self.cfg['start_dir'], 'src', 'data'), os.path.join(self.installdir, 'data')) shutil.copytree(os.path.join(self.cfg['start_dir'], 'src', 'basis', 'libraries'), os.path.join(self.installdir, 'data', 'libraries')) shutil.copytree(os.path.join(self.cfg['start_dir'], 'src', 'nwpw', 'libraryps'), os.path.join(self.installdir, 'data', 'libraryps')) except OSError, err: raise EasyBuildError("Failed to install NWChem: %s", err) # create NWChem settings file default_nwchemrc = os.path.join(self.installdir, 'data', 'default.nwchemrc') txt = '\n'.join([ "nwchem_basis_library %(path)s/data/libraries/", "nwchem_nwpw_library %(path)s/data/libraryps/", "ffield amber", "amber_1 %(path)s/data/amber_s/", "amber_2 %(path)s/data/amber_q/", "amber_3 %(path)s/data/amber_x/", "amber_4 %(path)s/data/amber_u/", "spce %(path)s/data/solvents/spce.rst", "charmm_s %(path)s/data/charmm_s/", "charmm_x %(path)s/data/charmm_x/", ]) % {'path': self.installdir} write_file(default_nwchemrc, txt) # fix permissions in data directory datadir = os.path.join(self.installdir, 'data') adjust_permissions(datadir, stat.S_IROTH, add=True, recursive=True) adjust_permissions(datadir, stat.S_IXOTH, add=True, recursive=True, onlydirs=True) def sanity_check_step(self): """Custom sanity check for NWChem.""" custom_paths = { 'files': ['bin/nwchem'], 'dirs': [os.path.join('data', x) for x in ['amber_q', 'amber_s', 'amber_t', 'amber_u', 'amber_x', 'charmm_s', 'charmm_x', 'solvents', 'libraries', 'libraryps']], } super(EB_NWChem, self).sanity_check_step(custom_paths=custom_paths) def make_module_extra(self): """Custom extra module file entries for NWChem.""" txt = super(EB_NWChem, self).make_module_extra() txt += self.module_generator.set_environment("PYTHONHOME", get_software_root('Python')) # '/' at the end is critical for NWCHEM_BASIS_LIBRARY! datadir = os.path.join(self.installdir, 'data') txt += self.module_generator.set_environment('NWCHEM_BASIS_LIBRARY', os.path.join(datadir, 'libraries/')) if LooseVersion(self.version) >= LooseVersion("6.3"): txt += self.module_generator.set_environment('NWCHEM_NWPW_LIBRARY', os.path.join(datadir, 'libraryps/')) return txt def cleanup_step(self): """Copy stuff from build directory we still need, if any.""" try: exs_dir = os.path.join(self.cfg['start_dir'], 'examples') self.examples_dir = os.path.join(tempfile.mkdtemp(), 'examples') shutil.copytree(exs_dir, self.examples_dir) self.log.info("Copied %s to %s." % (exs_dir, self.examples_dir)) except OSError, err: raise EasyBuildError("Failed to copy examples: %s", err) super(EB_NWChem, self).cleanup_step() def test_cases_step(self): """Run provided list of test cases, or provided examples is no test cases were specified.""" # run all examples if no test cases were specified # order and grouping is important for some of these tests (e.g., [o]h3tr* # Some of the examples are deleted # missing md parameter files: dna.nw, mache.nw, 18c6NaK.nw, membrane.nw, sdm.nw # method not implemented (unknown thory) or keyword not found: triplet.nw, C2H6.nw, pspw_MgO.nw, ccsdt_polar_small.nw, CG.nw # no convergence: diamond.nw # Too much memory required: ccsd_polar_big.nw if type(self.cfg['tests']) is bool: examples = [('qmd', ['3carbo_dft.nw', '3carbo.nw', 'h2o_scf.nw']), ('pspw', ['C2.nw', 'C6.nw', 'Carbene.nw', 'Na16.nw', 'NaCl.nw']), ('tcepolar', ['ccsd_polar_small.nw']), ('dirdyvtst/h3', ['h3tr1.nw', 'h3tr2.nw']), ('dirdyvtst/h3', ['h3tr3.nw']), ('dirdyvtst/h3', ['h3tr4.nw']), ('dirdyvtst/h3', ['h3tr5.nw']), ('dirdyvtst/oh3', ['oh3tr1.nw', 'oh3tr2.nw']), ('dirdyvtst/oh3', ['oh3tr3.nw']), ('dirdyvtst/oh3', ['oh3tr4.nw']), ('dirdyvtst/oh3', ['oh3tr5.nw']), ('pspw/session1', ['band.nw', 'si4.linear.nw', 'si4.rhombus.nw', 'S2-drift.nw', 'silicon.nw', 'S2.nw', 'si4.rectangle.nw']), ('md/myo', ['myo.nw']), ('md/nak', ['NaK.nw']), ('md/crown', ['crown.nw']), ('md/hrc', ['hrc.nw']), ('md/benzene', ['benzene.nw'])] self.cfg['tests'] = [(os.path.join(self.examples_dir, d), l) for (d, l) in examples] self.log.info("List of examples to be run as test cases: %s" % self.cfg['tests']) try: # symlink $HOME/.nwchemrc to local copy of default nwchemrc default_nwchemrc = os.path.join(self.installdir, 'data', 'default.nwchemrc') # make a local copy of the default .nwchemrc file at a fixed path, so we can symlink to it # this makes sure that multiple parallel builds can reuse the same symlink, even for different builds # there is apparently no way to point NWChem to a particular config file other that $HOME/.nwchemrc try: local_nwchemrc_dir = os.path.dirname(self.local_nwchemrc) if not os.path.exists(local_nwchemrc_dir): os.makedirs(local_nwchemrc_dir) shutil.copy2(default_nwchemrc, self.local_nwchemrc) # only try to create symlink if it's not there yet # we've verified earlier that the symlink is what we expect it to be if it's there if not os.path.exists(self.home_nwchemrc): os.symlink(self.local_nwchemrc, self.home_nwchemrc) except OSError, err: raise EasyBuildError("Failed to symlink %s to %s: %s", self.home_nwchemrc, self.local_nwchemrc, err) # run tests, keep track of fail ratio cwd = os.getcwd() fail = 0.0 tot = 0.0 success_regexp = re.compile("Total times\s*cpu:.*wall:.*") test_cases_logfn = os.path.join(self.installdir, config.log_path(), 'test_cases.log') test_cases_log = open(test_cases_logfn, "w") for (testdir, tests) in self.cfg['tests']: # run test in a temporary dir tmpdir = tempfile.mkdtemp(prefix='nwchem_test_') os.chdir(tmpdir) # copy all files in test case dir for item in os.listdir(testdir): test_file = os.path.join(testdir, item) if os.path.isfile(test_file): self.log.debug("Copying %s to %s" % (test_file, tmpdir)) shutil.copy2(test_file, tmpdir) # run tests for testx in tests: cmd = "nwchem %s" % testx msg = "Running test '%s' (from %s) in %s..." % (cmd, testdir, tmpdir) self.log.info(msg) test_cases_log.write("\n%s\n" % msg) (out, ec) = run_cmd(cmd, simple=False, log_all=False, log_ok=False, log_output=True) # check exit code and output if ec: msg = "Test %s failed (exit code: %s)!" % (testx, ec) self.log.warning(msg) test_cases_log.write('FAIL: %s' % msg) fail += 1 else: if success_regexp.search(out): msg = "Test %s successful!" % testx self.log.info(msg) test_cases_log.write('SUCCESS: %s' % msg) else: msg = "No 'Total times' found for test %s (but exit code is %s)!" % (testx, ec) self.log.warning(msg) test_cases_log.write('FAIL: %s' % msg) fail += 1 test_cases_log.write("\nOUTPUT:\n\n%s\n\n" % out) tot += 1 # go back os.chdir(cwd) shutil.rmtree(tmpdir) fail_ratio = fail / tot fail_pcnt = fail_ratio * 100 msg = "%d of %d tests failed (%s%%)!" % (fail, tot, fail_pcnt) self.log.info(msg) test_cases_log.write('\n\nSUMMARY: %s' % msg) test_cases_log.close() self.log.info("Log for test cases saved at %s" % test_cases_logfn) if fail_ratio > self.cfg['max_fail_ratio']: max_fail_pcnt = self.cfg['max_fail_ratio'] * 100 raise EasyBuildError("Over %s%% of test cases failed, assuming broken build.", max_fail_pcnt) # cleanup try: shutil.rmtree(self.examples_dir) shutil.rmtree(local_nwchemrc_dir) except OSError, err: raise EasyBuildError("Cleanup failed: %s", err) # set post msg w.r.t. cleaning up $HOME/.nwchemrc symlink self.postmsg += "\nRemember to clean up %s after all NWChem builds are finished." % self.home_nwchemrc except OSError, err: raise EasyBuildError("Failed to run test cases: %s", err)
valtandor/easybuild-easyblocks
easybuild/easyblocks/n/nwchem.py
Python
gpl-2.0
24,264
[ "Amber", "NWChem" ]
f14145a4ade90d9a734a438fbe91312d887d2da1522efa8747638eccf4392e5c
''' Create PV-slices of the spectrally down-sampled HI cube. ''' from spectral_cube import SpectralCube, Projection import pvextractor as pv from astropy.utils.console import ProgressBar from astropy.io import fits from astropy import units as u import numpy as np import matplotlib.pyplot as plt from paths import fourteenB_HI_data_wGBT_path, fourteenB_wGBT_HI_file_dict from galaxy_params import gal_feath as gal from constants import distance # Radius cut-off from galaxy frame to observation frame def obs_radius(radius, PA, gal): ang_term = (np.cos(PA))**2 + (np.sin(PA) / np.cos(gal.inclination))**2 return np.sqrt(radius**2 / ang_term) def phys_to_ang(phys_size, distance=distance): ''' Convert from angular to physical scales ''' return (phys_size.to(distance.unit) / distance) * u.rad if __name__ == "__main__": cube = SpectralCube.read(fourteenB_HI_data_wGBT_path("downsamp_1kms/M33_14B-088_HI.clean.image.GBT_feathered.1kms.fits")) mom0 = Projection.from_hdu(fits.open(fourteenB_wGBT_HI_file_dict["Moment0"])[0]) pa_angles = gal.position_angles(header=mom0.header) radius = gal.radius(header=mom0.header) # Set the angles to create PV slices from. Angles defined wrt to the disk PA. # The cuts at PA - 165 and 175 are to match the slices presented in Kam+17 thetas = np.array([0, 45, 90, 135, gal.position_angle.value - 165, gal.position_angle.value - 175]) * u.deg max_rad = 8.5 * u.kpc check_paths = False pvslices = [] paths = [] for theta in ProgressBar(thetas): # Adjust path length based on inclination obs_rad = obs_radius(max_rad, theta, gal) # Now convert the physical size in the observed frame to an angular size ang_length = 2 * phys_to_ang(obs_rad, distance) ang_width = 2 * phys_to_ang(obs_radius(max_rad, theta + 90 * u.deg, gal), distance) pv_path = pv.PathFromCenter(gal.center_position, length=ang_length, angle=theta + gal.position_angle, sample=20, width=ang_width) paths.append(pv_path) if check_paths: plt.imshow(mom0.value, origin='lower') plt.contour(radius <= max_rad, colors='r') center = gal.to_center_position_pixel(wcs=cube.wcs) plt.plot(center[0], center[1], 'bD') for i, posn in enumerate(pv_path.get_xy(cube.wcs)): if i == 0: symb = "c^" else: symb = "g^" plt.plot(posn[0], posn[1], symb) plt.draw() raw_input("{}".format(theta)) plt.clf() # Set NaNs to zero. We're averaging over very large areas here. pvslice = pv.extract_pv_slice(cube, pv_path, respect_nan=False) filename = "downsamp_1kms/M33_14B-088_HI.GBT_feathered_PA_{}_pvslice.fits".format(int(theta.value)) pvslice.writeto(fourteenB_HI_data_wGBT_path(filename, no_check=True), overwrite=True) pvslices.append(pvslice) # Make a major axis PV slice with the rotation subtracted cube rotcube = SpectralCube.read(fourteenB_HI_data_wGBT_path("downsamp_1kms/M33_14B-088_HI.clean.image.GBT_feathered.rotation_corrected.1kms.fits")) theta = 0.0 * u.deg obs_rad = obs_radius(max_rad, theta, gal) # Now convert the physical size in the observed frame to an angular size ang_length = 2 * phys_to_ang(obs_rad, distance) ang_width = 2 * phys_to_ang(obs_radius(max_rad, theta + 90 * u.deg, gal), distance) pv_path = pv.PathFromCenter(gal.center_position, length=ang_length, angle=theta + gal.position_angle, sample=20, width=ang_width) pvslice = pv.extract_pv_slice(rotcube, pv_path, respect_nan=False) filename = "downsamp_1kms/M33_14B-088_HI.GBT_feathered.rotation_corrected_PA_{}_pvslice.fits".format(int(theta.value)) pvslice.writeto(fourteenB_HI_data_wGBT_path(filename, no_check=True), overwrite=True) # Make thinner PV slices with the normal cube pvslices_thin = [] paths_thin = [] for theta in ProgressBar(thetas): # Adjust path length based on inclination obs_rad = obs_radius(max_rad, theta, gal) # Now convert the physical size in the observed frame to an angular size ang_length = 2 * phys_to_ang(obs_rad, distance) ang_width = 200 pv_path = pv.PathFromCenter(gal.center_position, length=ang_length, angle=theta + gal.position_angle, sample=20, width=ang_width) paths_thin.append(pv_path) if check_paths: plt.imshow(mom0.value, origin='lower') plt.contour(radius <= max_rad, colors='r') center = gal.to_center_position_pixel(wcs=cube.wcs) plt.plot(center[0], center[1], 'bD') for i, posn in enumerate(pv_path.get_xy(cube.wcs)): if i == 0: symb = "c^" else: symb = "g^" plt.plot(posn[0], posn[1], symb) plt.draw() raw_input("{}".format(theta)) plt.clf() # Set NaNs to zero. We're averaging over very large areas here. pvslice = pv.extract_pv_slice(cube, pv_path, respect_nan=False) filename = "downsamp_1kms/M33_14B-088_HI.GBT_feathered_PA_{}_pvslice_200arcsec_width.fits".format(int(theta.value)) pvslice.writeto(fourteenB_HI_data_wGBT_path(filename, no_check=True), overwrite=True) pvslices_thin.append(pvslice)
e-koch/VLA_Lband
14B-088/HI/analysis/HI_pvslices.py
Python
mit
5,875
[ "Galaxy" ]
02f3b313dbf5356d402286c56a897622522cc72cc540c31daec632fbdaff8537
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class PyHtseq(PythonPackage): """HTSeq is a Python package that provides infrastructure to process data from high-throughput sequencing assays.""" homepage = "http://htseq.readthedocs.io/en/release_0.9.1/overview.html" url = "https://github.com/simon-anders/htseq/archive/release_0.9.1.tar.gz" version('0.11.2', sha256='dfc707effa699d5ba9034e1bb9f13c0fb4e9bc60d31ede2444aa49c7e2fc71aa') version('0.9.1', sha256='28b41d68aa233fce0d57699e649b69bb11957f8f1b9b7b82dfe3415849719534') depends_on('py-setuptools', type='build') depends_on('py-numpy', type=('build', 'run')) depends_on('py-pysam', type=('build', 'run')) depends_on('py-matplotlib', type=('build', 'run')) depends_on('py-cython', type=('build', 'run')) depends_on('swig', type=('build', 'run'))
rspavel/spack
var/spack/repos/builtin/packages/py-htseq/package.py
Python
lgpl-2.1
1,029
[ "HTSeq", "pysam" ]
d6052413ecd1191bba5b062a008e22300f2acfe7a8282aeed2fada7ca7eb4d85
# (C) British Crown Copyright 2010 - 2016, Met Office # # This file is part of Iris. # # Iris 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 3 of the License, or # (at your option) any later version. # # Iris 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 Iris. If not, see <http://www.gnu.org/licenses/>. """ Classes for representing multi-dimensional data with metadata. """ from __future__ import (absolute_import, division, print_function) from six.moves import (filter, input, map, range, zip) # noqa import six from xml.dom.minidom import Document import collections import copy import datetime import operator import warnings import zlib import biggus import numpy as np import numpy.ma as ma from iris._deprecation import warn_deprecated import iris.analysis from iris.analysis.cartography import wrap_lons import iris.analysis.maths import iris.analysis._interpolate_private import iris.aux_factory import iris.coord_systems import iris.coords import iris._concatenate import iris._constraints import iris._merge import iris.exceptions import iris.util from iris._cube_coord_common import CFVariableMixin from functools import reduce __all__ = ['Cube', 'CubeList', 'CubeMetadata'] class CubeMetadata(collections.namedtuple('CubeMetadata', ['standard_name', 'long_name', 'var_name', 'units', 'attributes', 'cell_methods'])): """ Represents the phenomenon metadata for a single :class:`Cube`. """ __slots__ = () def name(self, default='unknown'): """ Returns a human-readable name. First it tries self.standard_name, then it tries the 'long_name' attribute, then the 'var_name' attribute, before falling back to the value of `default` (which itself defaults to 'unknown'). """ return self.standard_name or self.long_name or self.var_name or default # The XML namespace to use for CubeML documents XML_NAMESPACE_URI = "urn:x-iris:cubeml-0.2" class _CubeFilter(object): """ A constraint, paired with a list of cubes matching that constraint. """ def __init__(self, constraint, cubes=None): self.constraint = constraint if cubes is None: cubes = CubeList() self.cubes = cubes def __len__(self): return len(self.cubes) def add(self, cube): """ Adds the appropriate (sub)cube to the list of cubes where it matches the constraint. """ sub_cube = self.constraint.extract(cube) if sub_cube is not None: self.cubes.append(sub_cube) def merged(self, unique=False): """ Returns a new :class:`_CubeFilter` by merging the list of cubes. Kwargs: * unique: If True, raises `iris.exceptions.DuplicateDataError` if duplicate cubes are detected. """ return _CubeFilter(self.constraint, self.cubes.merge(unique)) class _CubeFilterCollection(object): """ A list of _CubeFilter instances. """ @staticmethod def from_cubes(cubes, constraints=None): """ Creates a new collection from an iterable of cubes, and some optional constraints. """ constraints = iris._constraints.list_of_constraints(constraints) pairs = [_CubeFilter(constraint) for constraint in constraints] collection = _CubeFilterCollection(pairs) for cube in cubes: collection.add_cube(cube) return collection def __init__(self, pairs): self.pairs = pairs def add_cube(self, cube): """ Adds the given :class:`~iris.cube.Cube` to all of the relevant constraint pairs. """ for pair in self.pairs: pair.add(cube) def cubes(self): """ Returns all the cubes in this collection concatenated into a single :class:`CubeList`. """ result = CubeList() for pair in self.pairs: result.extend(pair.cubes) return result def merged(self, unique=False): """ Returns a new :class:`_CubeFilterCollection` by merging all the cube lists of this collection. Kwargs: * unique: If True, raises `iris.exceptions.DuplicateDataError` if duplicate cubes are detected. """ return _CubeFilterCollection([pair.merged(unique) for pair in self.pairs]) class CubeList(list): """ All the functionality of a standard :class:`list` with added "Cube" context. """ def __new__(cls, list_of_cubes=None): """Given a :class:`list` of cubes, return a CubeList instance.""" cube_list = list.__new__(cls, list_of_cubes) # Check that all items in the incoming list are cubes. Note that this # checking does not guarantee that a CubeList instance *always* has # just cubes in its list as the append & __getitem__ methods have not # been overridden. if not all([isinstance(cube, Cube) for cube in cube_list]): raise ValueError('All items in list_of_cubes must be Cube ' 'instances.') return cube_list def __str__(self): """Runs short :meth:`Cube.summary` on every cube.""" result = ['%s: %s' % (i, cube.summary(shorten=True)) for i, cube in enumerate(self)] if result: result = '\n'.join(result) else: result = '< No cubes >' return result def __repr__(self): """Runs repr on every cube.""" return '[%s]' % ',\n'.join([repr(cube) for cube in self]) # TODO #370 Which operators need overloads? def __add__(self, other): return CubeList(list.__add__(self, other)) def __getitem__(self, keys): """x.__getitem__(y) <==> x[y]""" result = super(CubeList, self).__getitem__(keys) if isinstance(result, list): result = CubeList(result) return result def __getslice__(self, start, stop): """ x.__getslice__(i, j) <==> x[i:j] Use of negative indices is not supported. """ result = super(CubeList, self).__getslice__(start, stop) result = CubeList(result) return result def xml(self, checksum=False, order=True, byteorder=True): """Return a string of the XML that this list of cubes represents.""" doc = Document() cubes_xml_element = doc.createElement("cubes") cubes_xml_element.setAttribute("xmlns", XML_NAMESPACE_URI) for cube_obj in self: cubes_xml_element.appendChild( cube_obj._xml_element( doc, checksum=checksum, order=order, byteorder=byteorder)) doc.appendChild(cubes_xml_element) # return our newly created XML string return doc.toprettyxml(indent=" ") def extract(self, constraints, strict=False): """ Filter each of the cubes which can be filtered by the given constraints. This method iterates over each constraint given, and subsets each of the cubes in this CubeList where possible. Thus, a CubeList of length **n** when filtered with **m** constraints can generate a maximum of **m * n** cubes. Keywords: * strict - boolean If strict is True, then there must be exactly one cube which is filtered per constraint. """ return self._extract_and_merge(self, constraints, strict, merge_unique=None) @staticmethod def _extract_and_merge(cubes, constraints, strict, merge_unique=False): # * merge_unique - if None: no merging, if false: non unique merging, # else unique merging (see merge) constraints = iris._constraints.list_of_constraints(constraints) # group the resultant cubes by constraints in a dictionary constraint_groups = dict([(constraint, CubeList()) for constraint in constraints]) for cube in cubes: for constraint, cube_list in six.iteritems(constraint_groups): sub_cube = constraint.extract(cube) if sub_cube is not None: cube_list.append(sub_cube) if merge_unique is not None: for constraint, cubelist in six.iteritems(constraint_groups): constraint_groups[constraint] = cubelist.merge(merge_unique) result = CubeList() for constraint in constraints: constraint_cubes = constraint_groups[constraint] if strict and len(constraint_cubes) != 1: msg = 'Got %s cubes for constraint %r, ' \ 'expecting 1.' % (len(constraint_cubes), constraint) raise iris.exceptions.ConstraintMismatchError(msg) result.extend(constraint_cubes) if strict and len(constraints) == 1: result = result[0] return result def extract_strict(self, constraints): """ Calls :meth:`CubeList.extract` with the strict keyword set to True. """ return self.extract(constraints, strict=True) def extract_overlapping(self, coord_names): """ Returns a :class:`CubeList` of cubes extracted over regions where the coordinates overlap, for the coordinates in coord_names. Args: * coord_names: A string or list of strings of the names of the coordinates over which to perform the extraction. """ if isinstance(coord_names, six.string_types): coord_names = [coord_names] def make_overlap_fn(coord_name): def overlap_fn(cell): return all(cell in cube.coord(coord_name).cells() for cube in self) return overlap_fn coord_values = {coord_name: make_overlap_fn(coord_name) for coord_name in coord_names} return self.extract(iris.Constraint(coord_values=coord_values)) def merge_cube(self): """ Return the merged contents of the :class:`CubeList` as a single :class:`Cube`. If it is not possible to merge the `CubeList` into a single `Cube`, a :class:`~iris.exceptions.MergeError` will be raised describing the reason for the failure. For example: >>> cube_1 = iris.cube.Cube([1, 2]) >>> cube_1.add_aux_coord(iris.coords.AuxCoord(0, long_name='x')) >>> cube_2 = iris.cube.Cube([3, 4]) >>> cube_2.add_aux_coord(iris.coords.AuxCoord(1, long_name='x')) >>> cube_2.add_dim_coord( ... iris.coords.DimCoord([0, 1], long_name='z'), 0) >>> single_cube = iris.cube.CubeList([cube_1, cube_2]).merge_cube() Traceback (most recent call last): ... iris.exceptions.MergeError: failed to merge into a single cube. Coordinates in cube.dim_coords differ: z. Coordinate-to-dimension mapping differs for cube.dim_coords. """ if not self: raise ValueError("can't merge an empty CubeList") # Register each of our cubes with a single ProtoCube. proto_cube = iris._merge.ProtoCube(self[0]) for cube in self[1:]: proto_cube.register(cube, error_on_mismatch=True) # Extract the merged cube from the ProtoCube. merged_cube, = proto_cube.merge() return merged_cube def merge(self, unique=True): """ Returns the :class:`CubeList` resulting from merging this :class:`CubeList`. Kwargs: * unique: If True, raises `iris.exceptions.DuplicateDataError` if duplicate cubes are detected. This combines cubes with different values of an auxiliary scalar coordinate, by constructing a new dimension. .. testsetup:: import iris c1 = iris.cube.Cube([0,1,2], long_name='some_parameter') xco = iris.coords.DimCoord([11, 12, 13], long_name='x_vals') c1.add_dim_coord(xco, 0) c1.add_aux_coord(iris.coords.AuxCoord([100], long_name='y_vals')) c2 = c1.copy() c2.coord('y_vals').points = [200] For example:: >>> print(c1) some_parameter / (unknown) (x_vals: 3) Dimension coordinates: x_vals x Scalar coordinates: y_vals: 100 >>> print(c2) some_parameter / (unknown) (x_vals: 3) Dimension coordinates: x_vals x Scalar coordinates: y_vals: 200 >>> cube_list = iris.cube.CubeList([c1, c2]) >>> new_cube = cube_list.merge()[0] >>> print(new_cube) some_parameter / (unknown) (y_vals: 2; x_vals: 3) Dimension coordinates: y_vals x - x_vals - x >>> print(new_cube.coord('y_vals').points) [100 200] >>> Contrast this with :meth:`iris.cube.CubeList.concatenate`, which joins cubes along an existing dimension. .. note:: If time coordinates in the list of cubes have differing epochs then the cubes will not be able to be merged. If this occurs, use :func:`iris.util.unify_time_units` to normalise the epochs of the time coordinates so that the cubes can be merged. """ # Register each of our cubes with its appropriate ProtoCube. proto_cubes_by_name = {} for cube in self: name = cube.standard_name proto_cubes = proto_cubes_by_name.setdefault(name, []) proto_cube = None for target_proto_cube in proto_cubes: if target_proto_cube.register(cube): proto_cube = target_proto_cube break if proto_cube is None: proto_cube = iris._merge.ProtoCube(cube) proto_cubes.append(proto_cube) # Emulate Python 2 behaviour. def _none_sort(item): return (item is not None, item) # Extract all the merged cubes from the ProtoCubes. merged_cubes = CubeList() for name in sorted(proto_cubes_by_name, key=_none_sort): for proto_cube in proto_cubes_by_name[name]: merged_cubes.extend(proto_cube.merge(unique=unique)) return merged_cubes def concatenate_cube(self, check_aux_coords=True): """ Return the concatenated contents of the :class:`CubeList` as a single :class:`Cube`. If it is not possible to concatenate the `CubeList` into a single `Cube`, a :class:`~iris.exceptions.ConcatenateError` will be raised describing the reason for the failure. Kwargs: * check_aux_coords Checks the auxilliary coordinates of the cubes match. This check is not applied to auxilliary coordinates that span the dimension the concatenation is occuring along. Defaults to True. .. note:: Concatenation cannot occur along an anonymous dimension. """ if not self: raise ValueError("can't concatenate an empty CubeList") names = [cube.metadata.name() for cube in self] unique_names = list(collections.OrderedDict.fromkeys(names)) if len(unique_names) == 1: res = iris._concatenate.concatenate( self, error_on_mismatch=True, check_aux_coords=check_aux_coords) n_res_cubes = len(res) if n_res_cubes == 1: return res[0] else: msgs = [] msgs.append('An unexpected problem prevented concatenation.') msgs.append('Expected only a single cube, ' 'found {}.'.format(n_res_cubes)) raise iris.exceptions.ConcatenateError(msgs) else: msgs = [] msgs.append('Cube names differ: {} != {}'.format(names[0], names[1])) raise iris.exceptions.ConcatenateError(msgs) def concatenate(self, check_aux_coords=True): """ Concatenate the cubes over their common dimensions. Kwargs: * check_aux_coords Checks the auxilliary coordinates of the cubes match. This check is not applied to auxilliary coordinates that span the dimension the concatenation is occuring along. Defaults to True. Returns: A new :class:`iris.cube.CubeList` of concatenated :class:`iris.cube.Cube` instances. This combines cubes with a common dimension coordinate, but occupying different regions of the coordinate value. The cubes are joined across that dimension. .. testsetup:: import iris import numpy as np xco = iris.coords.DimCoord([11, 12, 13, 14], long_name='x_vals') yco1 = iris.coords.DimCoord([4, 5], long_name='y_vals') yco2 = iris.coords.DimCoord([7, 9, 10], long_name='y_vals') c1 = iris.cube.Cube(np.zeros((2,4)), long_name='some_parameter') c1.add_dim_coord(xco, 1) c1.add_dim_coord(yco1, 0) c2 = iris.cube.Cube(np.zeros((3,4)), long_name='some_parameter') c2.add_dim_coord(xco, 1) c2.add_dim_coord(yco2, 0) For example:: >>> print(c1) some_parameter / (unknown) (y_vals: 2; x_vals: 4) Dimension coordinates: y_vals x - x_vals - x >>> print(c1.coord('y_vals').points) [4 5] >>> print(c2) some_parameter / (unknown) (y_vals: 3; x_vals: 4) Dimension coordinates: y_vals x - x_vals - x >>> print(c2.coord('y_vals').points) [ 7 9 10] >>> cube_list = iris.cube.CubeList([c1, c2]) >>> new_cube = cube_list.concatenate()[0] >>> print(new_cube) some_parameter / (unknown) (y_vals: 5; x_vals: 4) Dimension coordinates: y_vals x - x_vals - x >>> print(new_cube.coord('y_vals').points) [ 4 5 7 9 10] >>> Contrast this with :meth:`iris.cube.CubeList.merge`, which makes a new dimension from values of an auxiliary scalar coordinate. .. note:: If time coordinates in the list of cubes have differing epochs then the cubes will not be able to be concatenated. If this occurs, use :func:`iris.util.unify_time_units` to normalise the epochs of the time coordinates so that the cubes can be concatenated. .. note:: Concatenation cannot occur along an anonymous dimension. """ return iris._concatenate.concatenate(self, check_aux_coords=check_aux_coords) def _is_single_item(testee): """ Return whether this is a single item, rather than an iterable. We count string types as 'single', also. """ return (isinstance(testee, six.string_types) or not isinstance(testee, collections.Iterable)) class Cube(CFVariableMixin): """ A single Iris cube of data and metadata. Typically obtained from :func:`iris.load`, :func:`iris.load_cube`, :func:`iris.load_cubes`, or from the manipulation of existing cubes. For example: >>> cube = iris.load_cube(iris.sample_data_path('air_temp.pp')) >>> print(cube) air_temperature / (K) (latitude: 73; longitude: 96) Dimension coordinates: latitude x - longitude - x Scalar coordinates: forecast_period: 6477 hours, bound=(-28083.0, 6477.0) hours forecast_reference_time: 1998-03-01 03:00:00 pressure: 1000.0 hPa time: 1998-12-01 00:00:00, \ bound=(1994-12-01 00:00:00, 1998-12-01 00:00:00) Attributes: STASH: m01s16i203 source: Data from Met Office Unified Model Cell methods: mean within years: time mean over years: time See the :doc:`user guide</userguide/index>` for more information. """ #: Indicates to client code that the object supports #: "orthogonal indexing", which means that slices that are 1d arrays #: or lists slice along each dimension independently. This behavior #: is similar to Fortran or Matlab, but different than numpy. __orthogonal_indexing__ = True def __init__(self, data, standard_name=None, long_name=None, var_name=None, units=None, attributes=None, cell_methods=None, dim_coords_and_dims=None, aux_coords_and_dims=None, aux_factories=None, cell_measures_and_dims=None): """ Creates a cube with data and optional metadata. Not typically used - normally cubes are obtained by loading data (e.g. :func:`iris.load`) or from manipulating existing cubes. Args: * data This object defines the shape of the cube and the phenomenon value in each cell. It can be a biggus array, a numpy array, a numpy array subclass (such as :class:`numpy.ma.MaskedArray`), or an *array_like* as described in :func:`numpy.asarray`. See :attr:`Cube.data<iris.cube.Cube.data>`. Kwargs: * standard_name The standard name for the Cube's data. * long_name An unconstrained description of the cube. * var_name The CF variable name for the cube. * units The unit of the cube, e.g. ``"m s-1"`` or ``"kelvin"``. * attributes A dictionary of cube attributes * cell_methods A tuple of CellMethod objects, generally set by Iris, e.g. ``(CellMethod("mean", coords='latitude'), )``. * dim_coords_and_dims A list of coordinates with scalar dimension mappings, e.g ``[(lat_coord, 0), (lon_coord, 1)]``. * aux_coords_and_dims A list of coordinates with dimension mappings, e.g ``[(lat_coord, 0), (lon_coord, (0, 1))]``. See also :meth:`Cube.add_dim_coord()<iris.cube.Cube.add_dim_coord>` and :meth:`Cube.add_aux_coord()<iris.cube.Cube.add_aux_coord>`. * aux_factories A list of auxiliary coordinate factories. See :mod:`iris.aux_factory`. * cell_measures_and_dims A list of CellMeasures with dimension mappings. For example:: >>> from iris.coords import DimCoord >>> from iris.cube import Cube >>> latitude = DimCoord(np.linspace(-90, 90, 4), ... standard_name='latitude', ... units='degrees') >>> longitude = DimCoord(np.linspace(45, 360, 8), ... standard_name='longitude', ... units='degrees') >>> cube = Cube(np.zeros((4, 8), np.float32), ... dim_coords_and_dims=[(latitude, 0), ... (longitude, 1)]) """ # Temporary error while we transition the API. if isinstance(data, six.string_types): raise TypeError('Invalid data type: {!r}.'.format(data)) if not isinstance(data, (biggus.Array, ma.MaskedArray)): data = np.asarray(data) self._my_data = data #: The "standard name" for the Cube's phenomenon. self.standard_name = standard_name #: An instance of :class:`cf_units.Unit` describing the Cube's data. self.units = units #: The "long name" for the Cube's phenomenon. self.long_name = long_name #: The CF variable name for the Cube. self.var_name = var_name self.cell_methods = cell_methods #: A dictionary, with a few restricted keys, for arbitrary #: Cube metadata. self.attributes = attributes # Coords self._dim_coords_and_dims = [] self._aux_coords_and_dims = [] self._aux_factories = [] # Cell Measures self._cell_measures_and_dims = [] identities = set() if dim_coords_and_dims: dims = set() for coord, dim in dim_coords_and_dims: identity = coord.standard_name, coord.long_name if identity not in identities and dim not in dims: self._add_unique_dim_coord(coord, dim) else: self.add_dim_coord(coord, dim) identities.add(identity) dims.add(dim) if aux_coords_and_dims: for coord, dims in aux_coords_and_dims: identity = coord.standard_name, coord.long_name if identity not in identities: self._add_unique_aux_coord(coord, dims) else: self.add_aux_coord(coord, dims) identities.add(identity) if aux_factories: for factory in aux_factories: self.add_aux_factory(factory) if cell_measures_and_dims: for cell_measure, dims in cell_measures_and_dims: self.add_cell_measure(cell_measure, dims) @property def metadata(self): """ An instance of :class:`CubeMetadata` describing the phenomenon. This property can be updated with any of: - another :class:`CubeMetadata` instance, - a tuple/dict which can be used to make a :class:`CubeMetadata`, - or any object providing the attributes exposed by :class:`CubeMetadata`. """ return CubeMetadata(self.standard_name, self.long_name, self.var_name, self.units, self.attributes, self.cell_methods) @metadata.setter def metadata(self, value): try: value = CubeMetadata(**value) except TypeError: try: value = CubeMetadata(*value) except TypeError: missing_attrs = [field for field in CubeMetadata._fields if not hasattr(value, field)] if missing_attrs: raise TypeError('Invalid/incomplete metadata') for name in CubeMetadata._fields: setattr(self, name, getattr(value, name)) def is_compatible(self, other, ignore=None): """ Return whether the cube is compatible with another. Compatibility is determined by comparing :meth:`iris.cube.Cube.name()`, :attr:`iris.cube.Cube.units`, :attr:`iris.cube.Cube.cell_methods` and :attr:`iris.cube.Cube.attributes` that are present in both objects. Args: * other: An instance of :class:`iris.cube.Cube` or :class:`iris.cube.CubeMetadata`. * ignore: A single attribute key or iterable of attribute keys to ignore when comparing the cubes. Default is None. To ignore all attributes set this to other.attributes. Returns: Boolean. .. seealso:: :meth:`iris.util.describe_diff()` .. note:: This function does not indicate whether the two cubes can be merged, instead it checks only the four items quoted above for equality. Determining whether two cubes will merge requires additional logic that is beyond the scope of this method. """ compatible = (self.name() == other.name() and self.units == other.units and self.cell_methods == other.cell_methods) if compatible: common_keys = set(self.attributes).intersection(other.attributes) if ignore is not None: if isinstance(ignore, six.string_types): ignore = (ignore,) common_keys = common_keys.difference(ignore) for key in common_keys: if np.any(self.attributes[key] != other.attributes[key]): compatible = False break return compatible def convert_units(self, unit): """ Change the cube's units, converting the values in the data array. For example, if a cube's :attr:`~iris.cube.Cube.units` are kelvin then:: cube.convert_units('celsius') will change the cube's :attr:`~iris.cube.Cube.units` attribute to celsius and subtract 273.15 from each value in :attr:`~iris.cube.Cube.data`. .. warning:: Calling this method will trigger any deferred loading, causing the cube's data array to be loaded into memory. """ # If the cube has units convert the data. if not self.units.is_unknown(): self.data = self.units.convert(self.data, unit) self.units = unit def add_cell_method(self, cell_method): """Add a CellMethod to the Cube.""" self.cell_methods += (cell_method, ) def add_aux_coord(self, coord, data_dims=None): """ Adds a CF auxiliary coordinate to the cube. Args: * coord The :class:`iris.coords.DimCoord` or :class:`iris.coords.AuxCoord` instance to add to the cube. Kwargs: * data_dims Integer or iterable of integers giving the data dimensions spanned by the coordinate. Raises a ValueError if a coordinate with identical metadata already exists on the cube. See also :meth:`Cube.remove_coord()<iris.cube.Cube.remove_coord>`. """ if self.coords(coord): # TODO: just fail on duplicate object raise ValueError('Duplicate coordinates are not permitted.') self._add_unique_aux_coord(coord, data_dims) def _check_multi_dim_metadata(self, metadata, data_dims): # Convert to a tuple of integers if data_dims is None: data_dims = tuple() elif isinstance(data_dims, collections.Container): data_dims = tuple(int(d) for d in data_dims) else: data_dims = (int(data_dims),) if data_dims: if len(data_dims) != metadata.ndim: msg = 'Invalid data dimensions: {} given, {} expected for ' \ '{!r}.'.format(len(data_dims), metadata.ndim, metadata.name()) raise ValueError(msg) # Check compatibility with the shape of the data for i, dim in enumerate(data_dims): if metadata.shape[i] != self.shape[dim]: msg = 'Unequal lengths. Cube dimension {} => {};' \ ' metadata {!r} dimension {} => {}.' raise ValueError(msg.format(dim, self.shape[dim], metadata.name(), i, metadata.shape[i])) elif metadata.shape != (1,): msg = 'Missing data dimensions for multi-valued {} {!r}' msg = msg.format(metadata.__class__.__name__, metadata.name()) raise ValueError(msg) return data_dims def _add_unique_aux_coord(self, coord, data_dims): data_dims = self._check_multi_dim_metadata(coord, data_dims) self._aux_coords_and_dims.append([coord, data_dims]) def add_aux_factory(self, aux_factory): """ Adds an auxiliary coordinate factory to the cube. Args: * aux_factory The :class:`iris.aux_factory.AuxCoordFactory` instance to add. """ if not isinstance(aux_factory, iris.aux_factory.AuxCoordFactory): raise TypeError('Factory must be a subclass of ' 'iris.aux_factory.AuxCoordFactory.') self._aux_factories.append(aux_factory) def add_cell_measure(self, cell_measure, data_dims=None): """ Adds a CF cell measure to the cube. Args: * cell_measure The :class:`iris.coords.CellMeasure` instance to add to the cube. Kwargs: * data_dims Integer or iterable of integers giving the data dimensions spanned by the coordinate. Raises a ValueError if a cell_measure with identical metadata already exists on the cube. See also :meth:`Cube.remove_cell_measure()<iris.cube.Cube.remove_cell_measure>`. """ if self.cell_measures(cell_measure): raise ValueError('Duplicate cell_measures are not permitted.') data_dims = self._check_multi_dim_metadata(cell_measure, data_dims) self._cell_measures_and_dims.append([cell_measure, data_dims]) self._cell_measures_and_dims.sort(key=lambda cm_dims: (cm_dims[0]._as_defn(), cm_dims[1])) def add_dim_coord(self, dim_coord, data_dim): """ Add a CF coordinate to the cube. Args: * dim_coord The :class:`iris.coords.DimCoord` instance to add to the cube. * data_dim Integer giving the data dimension spanned by the coordinate. Raises a ValueError if a coordinate with identical metadata already exists on the cube or if a coord already exists for the given dimension. See also :meth:`Cube.remove_coord()<iris.cube.Cube.remove_coord>`. """ if self.coords(dim_coord): raise ValueError('The coordinate already exists on the cube. ' 'Duplicate coordinates are not permitted.') # Check dimension is available if self.coords(dimensions=data_dim, dim_coords=True): raise ValueError('A dim_coord is already associated with ' 'dimension %d.' % data_dim) self._add_unique_dim_coord(dim_coord, data_dim) def _add_unique_dim_coord(self, dim_coord, data_dim): if isinstance(dim_coord, iris.coords.AuxCoord): raise ValueError('The dim_coord may not be an AuxCoord instance.') # Convert data_dim to a single integer if isinstance(data_dim, collections.Container): if len(data_dim) != 1: raise ValueError('The supplied data dimension must be a' ' single number.') data_dim = int(list(data_dim)[0]) else: data_dim = int(data_dim) # Check data_dim value is valid if data_dim < 0 or data_dim >= self.ndim: raise ValueError('The cube does not have the specified dimension ' '(%d)' % data_dim) # Check compatibility with the shape of the data if dim_coord.shape[0] != self.shape[data_dim]: msg = 'Unequal lengths. Cube dimension {} => {}; coord {!r} => {}.' raise ValueError(msg.format(data_dim, self.shape[data_dim], dim_coord.name(), len(dim_coord.points))) self._dim_coords_and_dims.append([dim_coord, int(data_dim)]) def remove_aux_factory(self, aux_factory): """Removes the given auxiliary coordinate factory from the cube.""" self._aux_factories.remove(aux_factory) def _remove_coord(self, coord): self._dim_coords_and_dims = [(coord_, dim) for coord_, dim in self._dim_coords_and_dims if coord_ is not coord] self._aux_coords_and_dims = [(coord_, dims) for coord_, dims in self._aux_coords_and_dims if coord_ is not coord] def remove_coord(self, coord): """ Removes a coordinate from the cube. Args: * coord (string or coord) The (name of the) coordinate to remove from the cube. See also :meth:`Cube.add_dim_coord()<iris.cube.Cube.add_dim_coord>` and :meth:`Cube.add_aux_coord()<iris.cube.Cube.add_aux_coord>`. """ coord = self.coord(coord) self._remove_coord(coord) for factory in self.aux_factories: factory.update(coord) def remove_cell_measure(self, cell_measure): """ Removes a cell measure from the cube. Args: * cell_measure (CellMeasure) The CellMeasure to remove from the cube. See also :meth:`Cube.add_cell_measure()<iris.cube.Cube.add_cell_measure>` """ self._cell_measures_and_dims = [[cell_measure_, dim] for cell_measure_, dim in self._cell_measures_and_dims if cell_measure_ is not cell_measure] def replace_coord(self, new_coord): """ Replace the coordinate whose metadata matches the given coordinate. """ old_coord = self.coord(new_coord) dims = self.coord_dims(old_coord) was_dimensioned = old_coord in self.dim_coords self._remove_coord(old_coord) if was_dimensioned and isinstance(new_coord, iris.coords.DimCoord): self.add_dim_coord(new_coord, dims[0]) else: self.add_aux_coord(new_coord, dims) for factory in self.aux_factories: factory.update(old_coord, new_coord) def coord_dims(self, coord): """ Returns a tuple of the data dimensions relevant to the given coordinate. When searching for the given coordinate in the cube the comparison is made using coordinate metadata equality. Hence the given coordinate instance need not exist on the cube, and may contain different coordinate values. Args: * coord (string or coord) The (name of the) coord to look for. """ coord = self.coord(coord) # Search for existing coordinate (object) on the cube, faster lookup # than equality - makes no functional difference. matches = [(dim,) for coord_, dim in self._dim_coords_and_dims if coord_ is coord] if not matches: matches = [dims for coord_, dims in self._aux_coords_and_dims if coord_ is coord] # Search derived aux coords target_defn = coord._as_defn() if not matches: def match(factory): return factory._as_defn() == target_defn factories = filter(match, self._aux_factories) matches = [factory.derived_dims(self.coord_dims) for factory in factories] if not matches: raise iris.exceptions.CoordinateNotFoundError(coord.name()) return matches[0] def cell_measure_dims(self, cell_measure): """ Returns a tuple of the data dimensions relevant to the given CellMeasure. * cell_measure The CellMeasure to look for. """ # Search for existing cell measure (object) on the cube, faster lookup # than equality - makes no functional difference. matches = [dims for cm_, dims in self._cell_measures_and_dims if cm_ is cell_measure] if not matches: raise iris.exceptions.CellMeasureNotFoundError(cell_measure.name()) return matches[0] def aux_factory(self, name=None, standard_name=None, long_name=None, var_name=None): """ Returns the single coordinate factory that matches the criteria, or raises an error if not found. Kwargs: * name If not None, matches against factory.name(). * standard_name The CF standard name of the desired coordinate factory. If None, does not check for standard name. * long_name An unconstrained description of the coordinate factory. If None, does not check for long_name. * var_name The CF variable name of the desired coordinate factory. If None, does not check for var_name. .. note:: If the arguments given do not result in precisely 1 coordinate factory being matched, an :class:`iris.exceptions.CoordinateNotFoundError` is raised. """ factories = self.aux_factories if name is not None: factories = [factory for factory in factories if factory.name() == name] if standard_name is not None: factories = [factory for factory in factories if factory.standard_name == standard_name] if long_name is not None: factories = [factory for factory in factories if factory.long_name == long_name] if var_name is not None: factories = [factory for factory in factories if factory.var_name == var_name] if len(factories) > 1: factory_names = (factory.name() for factory in factories) msg = 'Expected to find exactly one coordinate factory, but ' \ 'found {}. They were: {}.'.format(len(factories), ', '.join(factory_names)) raise iris.exceptions.CoordinateNotFoundError(msg) elif len(factories) == 0: msg = 'Expected to find exactly one coordinate factory, but ' \ 'found none.' raise iris.exceptions.CoordinateNotFoundError(msg) return factories[0] def coords(self, name_or_coord=None, standard_name=None, long_name=None, var_name=None, attributes=None, axis=None, contains_dimension=None, dimensions=None, coord=None, coord_system=None, dim_coords=None, name=None): """ Return a list of coordinates in this cube fitting the given criteria. Kwargs: * name_or_coord Either (a) a :attr:`standard_name`, :attr:`long_name`, or :attr:`var_name`. Defaults to value of `default` (which itself defaults to `unknown`) as defined in :class:`iris._cube_coord_common.CFVariableMixin`. (b) a coordinate instance with metadata equal to that of the desired coordinates. Accepts either a :class:`iris.coords.DimCoord`, :class:`iris.coords.AuxCoord`, :class:`iris.aux_factory.AuxCoordFactory` or :class:`iris.coords.CoordDefn`. * name .. deprecated:: 1.6. Please use the name_or_coord kwarg. * standard_name The CF standard name of the desired coordinate. If None, does not check for standard name. * long_name An unconstrained description of the coordinate. If None, does not check for long_name. * var_name The CF variable name of the desired coordinate. If None, does not check for var_name. * attributes A dictionary of attributes desired on the coordinates. If None, does not check for attributes. * axis The desired coordinate axis, see :func:`iris.util.guess_coord_axis`. If None, does not check for axis. Accepts the values 'X', 'Y', 'Z' and 'T' (case-insensitive). * contains_dimension The desired coordinate contains the data dimension. If None, does not check for the dimension. * dimensions The exact data dimensions of the desired coordinate. Coordinates with no data dimension can be found with an empty tuple or list (i.e. ``()`` or ``[]``). If None, does not check for dimensions. * coord .. deprecated:: 1.6. Please use the name_or_coord kwarg. * coord_system Whether the desired coordinates have coordinate systems equal to the given coordinate system. If None, no check is done. * dim_coords Set to True to only return coordinates that are the cube's dimension coordinates. Set to False to only return coordinates that are the cube's auxiliary and derived coordinates. If None, returns all coordinates. See also :meth:`Cube.coord()<iris.cube.Cube.coord>`. """ # Handle deprecated kwargs if name is not None: name_or_coord = name warn_deprecated('the name kwarg is deprecated and will be removed ' 'in a future release. Consider converting ' 'existing code to use the name_or_coord ' 'kwarg as a replacement.', stacklevel=2) if coord is not None: name_or_coord = coord warn_deprecated('the coord kwarg is deprecated and will be ' 'removed in a future release. Consider converting ' 'existing code to use the name_or_coord ' 'kwarg as a replacement.', stacklevel=2) # Finish handling deprecated kwargs name = None coord = None if isinstance(name_or_coord, six.string_types): name = name_or_coord else: coord = name_or_coord coords_and_factories = [] if dim_coords in [True, None]: coords_and_factories += list(self.dim_coords) if dim_coords in [False, None]: coords_and_factories += list(self.aux_coords) coords_and_factories += list(self.aux_factories) if name is not None: coords_and_factories = [coord_ for coord_ in coords_and_factories if coord_.name() == name] if standard_name is not None: coords_and_factories = [coord_ for coord_ in coords_and_factories if coord_.standard_name == standard_name] if long_name is not None: coords_and_factories = [coord_ for coord_ in coords_and_factories if coord_.long_name == long_name] if var_name is not None: coords_and_factories = [coord_ for coord_ in coords_and_factories if coord_.var_name == var_name] if axis is not None: axis = axis.upper() guess_axis = iris.util.guess_coord_axis coords_and_factories = [coord_ for coord_ in coords_and_factories if guess_axis(coord_) == axis] if attributes is not None: if not isinstance(attributes, collections.Mapping): msg = 'The attributes keyword was expecting a dictionary ' \ 'type, but got a %s instead.' % type(attributes) raise ValueError(msg) def attr_filter(coord_): return all(k in coord_.attributes and coord_.attributes[k] == v for k, v in six.iteritems(attributes)) coords_and_factories = [coord_ for coord_ in coords_and_factories if attr_filter(coord_)] if coord_system is not None: coords_and_factories = [coord_ for coord_ in coords_and_factories if coord_.coord_system == coord_system] if coord is not None: if isinstance(coord, iris.coords.CoordDefn): defn = coord else: defn = coord._as_defn() coords_and_factories = [coord_ for coord_ in coords_and_factories if coord_._as_defn() == defn] if contains_dimension is not None: coords_and_factories = [coord_ for coord_ in coords_and_factories if contains_dimension in self.coord_dims(coord_)] if dimensions is not None: if not isinstance(dimensions, collections.Container): dimensions = [dimensions] dimensions = tuple(dimensions) coords_and_factories = [coord_ for coord_ in coords_and_factories if self.coord_dims(coord_) == dimensions] # If any factories remain after the above filters we have to make the # coords so they can be returned def extract_coord(coord_or_factory): if isinstance(coord_or_factory, iris.aux_factory.AuxCoordFactory): coord = coord_or_factory.make_coord(self.coord_dims) elif isinstance(coord_or_factory, iris.coords.Coord): coord = coord_or_factory else: msg = 'Expected Coord or AuxCoordFactory, got ' \ '{!r}.'.format(type(coord_or_factory)) raise ValueError(msg) return coord coords = [extract_coord(coord_or_factory) for coord_or_factory in coords_and_factories] return coords def coord(self, name_or_coord=None, standard_name=None, long_name=None, var_name=None, attributes=None, axis=None, contains_dimension=None, dimensions=None, coord=None, coord_system=None, dim_coords=None, name=None): """ Return a single coord given the same arguments as :meth:`Cube.coords`. .. note:: If the arguments given do not result in precisely 1 coordinate being matched, an :class:`iris.exceptions.CoordinateNotFoundError` is raised. .. seealso:: :meth:`Cube.coords()<iris.cube.Cube.coords>` for full keyword documentation. """ # Handle deprecated kwargs if name is not None: name_or_coord = name warn_deprecated('the name kwarg is deprecated and will be removed ' 'in a future release. Consider converting ' 'existing code to use the name_or_coord ' 'kwarg as a replacement.', stacklevel=2) if coord is not None: name_or_coord = coord warn_deprecated('the coord kwarg is deprecated and will be ' 'removed in a future release. Consider converting ' 'existing code to use the name_or_coord ' 'kwarg as a replacement.', stacklevel=2) # Finish handling deprecated kwargs coords = self.coords(name_or_coord=name_or_coord, standard_name=standard_name, long_name=long_name, var_name=var_name, attributes=attributes, axis=axis, contains_dimension=contains_dimension, dimensions=dimensions, coord_system=coord_system, dim_coords=dim_coords) if len(coords) > 1: msg = 'Expected to find exactly 1 coordinate, but found %s. ' \ 'They were: %s.' % (len(coords), ', '.join(coord.name() for coord in coords)) raise iris.exceptions.CoordinateNotFoundError(msg) elif len(coords) == 0: bad_name = name or standard_name or long_name or \ (coord and coord.name()) or '' msg = 'Expected to find exactly 1 %s coordinate, but found ' \ 'none.' % bad_name raise iris.exceptions.CoordinateNotFoundError(msg) return coords[0] def coord_system(self, spec=None): """ Find the coordinate system of the given type. If no target coordinate system is provided then find any available coordinate system. Kwargs: * spec: The the name or type of a coordinate system subclass. E.g. :: cube.coord_system("GeogCS") cube.coord_system(iris.coord_systems.GeogCS) If spec is provided as a type it can be a superclass of any coordinate system found. If spec is None, then find any available coordinate systems within the :class:`iris.cube.Cube`. Returns: The :class:`iris.coord_systems.CoordSystem` or None. """ if isinstance(spec, six.string_types) or spec is None: spec_name = spec else: msg = "type %s is not a subclass of CoordSystem" % spec assert issubclass(spec, iris.coord_systems.CoordSystem), msg spec_name = spec.__name__ # Gather a temporary list of our unique CoordSystems. coord_systems = ClassDict(iris.coord_systems.CoordSystem) for coord in self.coords(): if coord.coord_system: coord_systems.add(coord.coord_system, replace=True) result = None if spec_name is None: for key in sorted(coord_systems.keys(), key=lambda class_: class_.__name__): result = coord_systems[key] break else: result = coord_systems.get(spec_name) return result def cell_measures(self, name_or_cell_measure=None): """ Return a list of cell measures in this cube fitting the given criteria. Kwargs: * name_or_cell_measure Either (a) a :attr:`standard_name`, :attr:`long_name`, or :attr:`var_name`. Defaults to value of `default` (which itself defaults to `unknown`) as defined in :class:`iris._cube_coord_common.CFVariableMixin`. (b) a cell_measure instance with metadata equal to that of the desired cell_measures. See also :meth:`Cube.cell_measure()<iris.cube.Cube.cell_measure>`. """ name = None if isinstance(name_or_cell_measure, six.string_types): name = name_or_cell_measure else: cell_measure = name_or_cell_measure cell_measures = [] for cm, _ in self._cell_measures_and_dims: if name is not None: if cm.name() == name: cell_measures.append(cm) elif cell_measure is not None: if cm == cell_measure: cell_measures.append(cm) else: cell_measures.append(cm) return cell_measures def cell_measure(self, name_or_cell_measure=None): """ Return a single cell_measure given the same arguments as :meth:`Cube.cell_measures`. .. note:: If the arguments given do not result in precisely 1 cell_measure being matched, an :class:`iris.exceptions.CellMeasureNotFoundError` is raised. .. seealso:: :meth:`Cube.cell_measures()<iris.cube.Cube.cell_measures>` for full keyword documentation. """ cell_measures = self.cell_measures(name_or_cell_measure) if len(cell_measures) > 1: msg = ('Expected to find exactly 1 cell_measure, but found {}. ' 'They were: {}.') msg = msg.format(len(cell_measures), ', '.join(cm.name() for cm in cell_measures)) raise iris.exceptions.CellMeasureNotFoundError(msg) elif len(cell_measures) == 0: if isinstance(name_or_cell_measure, six.string_types): bad_name = name_or_cell_measure else: bad_name = (name_or_cell_measure and name_or_cell_measure.name()) or '' msg = 'Expected to find exactly 1 %s cell_measure, but found ' \ 'none.' % bad_name raise iris.exceptions.CellMeasureNotFoundError(msg) return cell_measures[0] @property def cell_methods(self): """ Tuple of :class:`iris.coords.CellMethod` representing the processing done on the phenomenon. """ return self._cell_methods @cell_methods.setter def cell_methods(self, cell_methods): self._cell_methods = tuple(cell_methods) if cell_methods else tuple() @property def shape(self): """The shape of the data of this cube.""" shape = self.lazy_data().shape return shape @property def dtype(self): """The :class:`numpy.dtype` of the data of this cube.""" return self.lazy_data().dtype @property def ndim(self): """The number of dimensions in the data of this cube.""" return len(self.shape) def lazy_data(self, array=None): """ Return a :class:`biggus.Array` representing the multi-dimensional data of the Cube, and optionally provide a new array of values. Accessing this method will never cause the data to be loaded. Similarly, calling methods on, or indexing, the returned Array will not cause the Cube to have loaded data. If the data have already been loaded for the Cube, the returned Array will be a :class:`biggus.NumpyArrayAdapter` which wraps the numpy array from `self.data`. Kwargs: * array (:class:`biggus.Array` or None): When this is not None it sets the multi-dimensional data of the cube to the given value. Returns: A :class:`biggus.Array` representing the multi-dimensional data of the Cube. """ if array is not None: if not isinstance(array, biggus.Array): raise TypeError('new values must be a biggus.Array') if self.shape != array.shape: # The _ONLY_ data reshape permitted is converting a # 0-dimensional array into a 1-dimensional array of # length one. # i.e. self.shape = () and array.shape == (1,) if self.shape or array.shape != (1,): raise ValueError('Require cube data with shape %r, got ' '%r.' % (self.shape, array.shape)) self._my_data = array else: array = self._my_data if not isinstance(array, biggus.Array): array = biggus.NumpyArrayAdapter(array) return array @property def data(self): """ The :class:`numpy.ndarray` representing the multi-dimensional data of the cube. .. note:: Cubes obtained from netCDF, PP, and FieldsFile files will only populate this attribute on its first use. To obtain the shape of the data without causing it to be loaded, use the Cube.shape attribute. Example:: >>> fname = iris.sample_data_path('air_temp.pp') >>> cube = iris.load_cube(fname, 'air_temperature') >>> # cube.data does not yet have a value. ... >>> print(cube.shape) (73, 96) >>> # cube.data still does not have a value. ... >>> cube = cube[:10, :20] >>> # cube.data still does not have a value. ... >>> data = cube.data >>> # Only now is the data loaded. ... >>> print(data.shape) (10, 20) """ data = self._my_data if not isinstance(data, np.ndarray): try: data = data.masked_array() except MemoryError: msg = "Failed to create the cube's data as there was not" \ " enough memory available.\n" \ "The array shape would have been {0!r} and the data" \ " type {1}.\n" \ "Consider freeing up variables or indexing the cube" \ " before getting its data." msg = msg.format(self.shape, data.dtype) raise MemoryError(msg) # Unmask the array only if it is filled. if isinstance(data, np.ndarray) and ma.count_masked(data) == 0: data = data.data # data may be a numeric type, so ensure an np.ndarray is returned self._my_data = np.asanyarray(data) return self._my_data @data.setter def data(self, value): data = np.asanyarray(value) if self.shape != data.shape: # The _ONLY_ data reshape permitted is converting a 0-dimensional # array i.e. self.shape == () into a 1-dimensional array of length # one i.e. data.shape == (1,) if self.shape or data.shape != (1,): raise ValueError('Require cube data with shape %r, got ' '%r.' % (self.shape, data.shape)) self._my_data = data def has_lazy_data(self): return isinstance(self._my_data, biggus.Array) @property def dim_coords(self): """ Return a tuple of all the dimension coordinates, ordered by dimension. .. note:: The length of the returned tuple is not necessarily the same as :attr:`Cube.ndim` as there may be dimensions on the cube without dimension coordinates. It is therefore unreliable to use the resulting tuple to identify the dimension coordinates for a given dimension - instead use the :meth:`Cube.coord` method with the ``dimensions`` and ``dim_coords`` keyword arguments. """ return tuple((coord for coord, dim in sorted(self._dim_coords_and_dims, key=lambda co_di: (co_di[1], co_di[0].name())))) @property def aux_coords(self): """ Return a tuple of all the auxiliary coordinates, ordered by dimension(s). """ return tuple((coord for coord, dims in sorted(self._aux_coords_and_dims, key=lambda co_di: (co_di[1], co_di[0].name())))) @property def derived_coords(self): """ Return a tuple of all the coordinates generated by the coordinate factories. """ return tuple(factory.make_coord(self.coord_dims) for factory in sorted(self.aux_factories, key=lambda factory: factory.name())) @property def aux_factories(self): """Return a tuple of all the coordinate factories.""" return tuple(self._aux_factories) def _summary_coord_extra(self, coord, indent): # Returns the text needed to ensure this coordinate can be # distinguished from all others with the same name. extra = '' similar_coords = self.coords(coord.name()) if len(similar_coords) > 1: # Find all the attribute keys keys = set() for similar_coord in similar_coords: keys.update(six.iterkeys(similar_coord.attributes)) # Look for any attributes that vary vary = set() attributes = {} for key in keys: for similar_coord in similar_coords: if key not in similar_coord.attributes: vary.add(key) break value = similar_coord.attributes[key] if attributes.setdefault(key, value) != value: vary.add(key) break keys = sorted(vary & set(coord.attributes.keys())) bits = ['{}={!r}'.format(key, coord.attributes[key]) for key in keys] if bits: extra = indent + ', '.join(bits) return extra def _summary_extra(self, coords, summary, indent): # Where necessary, inserts extra lines into the summary to ensure # coordinates can be distinguished. new_summary = [] for coord, summary in zip(coords, summary): new_summary.append(summary) extra = self._summary_coord_extra(coord, indent) if extra: new_summary.append(extra) return new_summary def summary(self, shorten=False, name_padding=35): """ Unicode string summary of the Cube with name, a list of dim coord names versus length and optionally relevant coordinate information. """ # Create a set to contain the axis names for each data dimension. dim_names = [set() for dim in range(len(self.shape))] # Add the dim_coord names that participate in the associated data # dimensions. for dim in range(len(self.shape)): dim_coords = self.coords(contains_dimension=dim, dim_coords=True) if dim_coords: dim_names[dim].add(dim_coords[0].name()) else: dim_names[dim].add('-- ') # Convert axes sets to lists and sort. dim_names = [sorted(names, key=sorted_axes) for names in dim_names] # Generate textual summary of the cube dimensionality. if self.shape == (): dimension_header = 'scalar cube' else: dimension_header = '; '.join( [', '.join(dim_names[dim]) + ': %d' % dim_shape for dim, dim_shape in enumerate(self.shape)]) nameunit = '{name} / ({units})'.format(name=self.name(), units=self.units) # If all unknown and a STASH attribute exists, use it. if nameunit == 'unknown / (unknown)' and 'STASH' in self.attributes: nameunit = '{}'.format(self.attributes['STASH']) cube_header = '{nameunit!s:{length}} ({dimension})'.format( length=name_padding, nameunit=nameunit, dimension=dimension_header) summary = '' # Generate full cube textual summary. if not shorten: indent = 10 extra_indent = ' ' * 13 # Cache the derived coords so we can rely on consistent # object IDs. derived_coords = self.derived_coords # Determine the cube coordinates that are scalar (single-valued) # AND non-dimensioned. dim_coords = self.dim_coords aux_coords = self.aux_coords all_coords = dim_coords + aux_coords + derived_coords scalar_coords = [coord for coord in all_coords if not self.coord_dims(coord) and coord.shape == (1,)] # Determine the cube coordinates that are not scalar BUT # dimensioned. scalar_coord_ids = set(map(id, scalar_coords)) vector_dim_coords = [coord for coord in dim_coords if id(coord) not in scalar_coord_ids] vector_aux_coords = [coord for coord in aux_coords if id(coord) not in scalar_coord_ids] vector_derived_coords = [coord for coord in derived_coords if id(coord) not in scalar_coord_ids] # cell measures vector_cell_measures = [cm for cm in self.cell_measures() if cm.shape != (1,)] # Determine the cube coordinates that don't describe the cube and # are most likely erroneous. vector_coords = vector_dim_coords + vector_aux_coords + \ vector_derived_coords ok_coord_ids = scalar_coord_ids.union(set(map(id, vector_coords))) invalid_coords = [coord for coord in all_coords if id(coord) not in ok_coord_ids] # Sort scalar coordinates by name. scalar_coords.sort(key=lambda coord: coord.name()) # Sort vector coordinates by data dimension and name. vector_dim_coords.sort( key=lambda coord: (self.coord_dims(coord), coord.name())) vector_aux_coords.sort( key=lambda coord: (self.coord_dims(coord), coord.name())) vector_derived_coords.sort( key=lambda coord: (self.coord_dims(coord), coord.name())) # Sort other coordinates by name. invalid_coords.sort(key=lambda coord: coord.name()) # # Generate textual summary of cube vector coordinates. # def vector_summary(vector_coords, cube_header, max_line_offset, cell_measures=None): """ Generates a list of suitably aligned strings containing coord names and dimensions indicated by one or more 'x' symbols. .. note:: The function may need to update the cube header so this is returned with the list of strings. """ if cell_measures is None: cell_measures = [] vector_summary = [] vectors = [] # Identify offsets for each dimension text marker. alignment = np.array([index for index, value in enumerate(cube_header) if value == ':']) # Generate basic textual summary for each vector coordinate # - WITHOUT dimension markers. for coord in vector_coords + cell_measures: vector_summary.append('%*s%s' % ( indent, ' ', iris.util.clip_string(coord.name()))) min_alignment = min(alignment) # Determine whether the cube header requires realignment # due to one or more longer vector coordinate summaries. if max_line_offset >= min_alignment: delta = max_line_offset - min_alignment + 5 cube_header = '%-*s (%s)' % (int(name_padding + delta), self.name() or 'unknown', dimension_header) alignment += delta if vector_coords: # Generate full textual summary for each vector coordinate # - WITH dimension markers. for index, coord in enumerate(vector_coords): dims = self.coord_dims(coord) for dim in range(len(self.shape)): width = alignment[dim] - len(vector_summary[index]) char = 'x' if dim in dims else '-' line = '{pad:{width}}{char}'.format(pad=' ', width=width, char=char) vector_summary[index] += line vectors = vectors + vector_coords if cell_measures: # Generate full textual summary for each vector coordinate # - WITH dimension markers. for index, coord in enumerate(cell_measures): dims = self.cell_measure_dims(coord) for dim in range(len(self.shape)): width = alignment[dim] - len(vector_summary[index]) char = 'x' if dim in dims else '-' line = '{pad:{width}}{char}'.format(pad=' ', width=width, char=char) vector_summary[index] += line vectors = vectors + cell_measures # Interleave any extra lines that are needed to distinguish # the coordinates. vector_summary = self._summary_extra(vectors, vector_summary, extra_indent) return vector_summary, cube_header # Calculate the maximum line offset. max_line_offset = 0 for coord in all_coords: max_line_offset = max(max_line_offset, len('%*s%s' % ( indent, ' ', iris.util.clip_string(str(coord.name()))))) if vector_dim_coords: dim_coord_summary, cube_header = vector_summary( vector_dim_coords, cube_header, max_line_offset) summary += '\n Dimension coordinates:\n' + \ '\n'.join(dim_coord_summary) if vector_aux_coords: aux_coord_summary, cube_header = vector_summary( vector_aux_coords, cube_header, max_line_offset) summary += '\n Auxiliary coordinates:\n' + \ '\n'.join(aux_coord_summary) if vector_derived_coords: derived_coord_summary, cube_header = vector_summary( vector_derived_coords, cube_header, max_line_offset) summary += '\n Derived coordinates:\n' + \ '\n'.join(derived_coord_summary) # # Generate summary of cube cell measures attribute # if vector_cell_measures: cell_measure_summary, cube_header = vector_summary( [], cube_header, max_line_offset, cell_measures=vector_cell_measures) summary += '\n Cell Measures:\n' summary += '\n'.join(cell_measure_summary) # # Generate textual summary of cube scalar coordinates. # scalar_summary = [] if scalar_coords: for coord in scalar_coords: if (coord.units in ['1', 'no_unit', 'unknown'] or coord.units.is_time_reference()): unit = '' else: unit = ' {!s}'.format(coord.units) # Format cell depending on type of point and whether it # has a bound with iris.FUTURE.context(cell_datetime_objects=False): coord_cell = coord.cell(0) if isinstance(coord_cell.point, six.string_types): # Indent string type coordinates coord_cell_split = [iris.util.clip_string(str(item)) for item in coord_cell.point.split('\n')] line_sep = '\n{pad:{width}}'.format( pad=' ', width=indent + len(coord.name()) + 2) coord_cell_str = line_sep.join(coord_cell_split) + unit else: # Human readable times if coord.units.is_time_reference(): coord_cell_cpoint = coord.units.num2date( coord_cell.point) if coord_cell.bound is not None: coord_cell_cbound = coord.units.num2date( coord_cell.bound) else: coord_cell_cpoint = coord_cell.point coord_cell_cbound = coord_cell.bound coord_cell_str = '{!s}{}'.format(coord_cell_cpoint, unit) if coord_cell.bound is not None: bound = '({})'.format(', '.join(str(val) for val in coord_cell_cbound)) coord_cell_str += ', bound={}{}'.format(bound, unit) scalar_summary.append('{pad:{width}}{name}: {cell}'.format( pad=' ', width=indent, name=coord.name(), cell=coord_cell_str)) # Interleave any extra lines that are needed to distinguish # the coordinates. scalar_summary = self._summary_extra(scalar_coords, scalar_summary, extra_indent) summary += '\n Scalar coordinates:\n' + '\n'.join( scalar_summary) # # Generate summary of cube's invalid coordinates. # if invalid_coords: invalid_summary = [] for coord in invalid_coords: invalid_summary.append( '%*s%s' % (indent, ' ', coord.name())) # Interleave any extra lines that are needed to distinguish the # coordinates. invalid_summary = self._summary_extra( invalid_coords, invalid_summary, extra_indent) summary += '\n Invalid coordinates:\n' + \ '\n'.join(invalid_summary) # cell measures scalar_cell_measures = [cm for cm in self.cell_measures() if cm.shape == (1,)] if scalar_cell_measures: summary += '\n Scalar cell measures:\n' scalar_cms = [' {}'.format(cm.name()) for cm in scalar_cell_measures] summary += '\n'.join(scalar_cms) # # Generate summary of cube attributes. # if self.attributes: attribute_lines = [] for name, value in sorted(six.iteritems(self.attributes)): value = iris.util.clip_string(six.text_type(value)) line = u'{pad:{width}}{name}: {value}'.format(pad=' ', width=indent, name=name, value=value) attribute_lines.append(line) summary += '\n Attributes:\n' + '\n'.join(attribute_lines) # # Generate summary of cube cell methods # if self.cell_methods: summary += '\n Cell methods:\n' cm_lines = [] for cm in self.cell_methods: cm_lines.append('%*s%s' % (indent, ' ', str(cm))) summary += '\n'.join(cm_lines) # Construct the final cube summary. summary = cube_header + summary return summary def assert_valid(self): """ Does nothing and returns None. .. deprecated:: 0.8 """ warn_deprecated('Cube.assert_valid() has been deprecated.') def __str__(self): # six has a decorator for this bit, but it doesn't do errors='replace'. if six.PY3: return self.summary() else: return self.summary().encode(errors='replace') def __unicode__(self): return self.summary() def __repr__(self): return "<iris 'Cube' of %s>" % self.summary(shorten=True, name_padding=1) def __iter__(self): raise TypeError('Cube is not iterable') def __getitem__(self, keys): """ Cube indexing (through use of square bracket notation) has been implemented at the data level. That is, the indices provided to this method should be aligned to the data of the cube, and thus the indices requested must be applicable directly to the cube.data attribute. All metadata will be subsequently indexed appropriately. """ # turn the keys into a full slice spec (all dims) full_slice = iris.util._build_full_slice_given_keys(keys, len(self.shape)) # make indexing on the cube column based by using the # column_slices_generator (potentially requires slicing the data # multiple times) dimension_mapping, slice_gen = iris.util.column_slices_generator( full_slice, len(self.shape)) def new_coord_dims(coord_): return [dimension_mapping[d] for d in self.coord_dims(coord_) if dimension_mapping[d] is not None] def new_cell_measure_dims(cm_): return [dimension_mapping[d] for d in self.cell_measure_dims(cm_) if dimension_mapping[d] is not None] try: first_slice = next(slice_gen) except StopIteration: first_slice = None if first_slice is not None: data = self._my_data[first_slice] else: data = copy.deepcopy(self._my_data) for other_slice in slice_gen: data = data[other_slice] # We don't want a view of the data, so take a copy of it if it's # not already our own. if isinstance(data, biggus.Array) or not data.flags['OWNDATA']: data = copy.deepcopy(data) # We can turn a masked array into a normal array if it's full. if isinstance(data, ma.core.MaskedArray): if ma.count_masked(data) == 0: data = data.filled() # Make the new cube slice cube = Cube(data) cube.metadata = copy.deepcopy(self.metadata) # Record a mapping from old coordinate IDs to new coordinates, # for subsequent use in creating updated aux_factories. coord_mapping = {} # Slice the coords for coord in self.aux_coords: coord_keys = tuple([full_slice[dim] for dim in self.coord_dims(coord)]) try: new_coord = coord[coord_keys] except ValueError: # TODO make this except more specific to catch monotonic error # Attempt to slice it by converting to AuxCoord first new_coord = iris.coords.AuxCoord.from_coord(coord)[coord_keys] cube.add_aux_coord(new_coord, new_coord_dims(coord)) coord_mapping[id(coord)] = new_coord for coord in self.dim_coords: coord_keys = tuple([full_slice[dim] for dim in self.coord_dims(coord)]) new_dims = new_coord_dims(coord) # Try/Catch to handle slicing that makes the points/bounds # non-monotonic try: new_coord = coord[coord_keys] if not new_dims: # If the associated dimension has been sliced so the coord # is a scalar move the coord to the aux_coords container cube.add_aux_coord(new_coord, new_dims) else: cube.add_dim_coord(new_coord, new_dims) except ValueError: # TODO make this except more specific to catch monotonic error # Attempt to slice it by converting to AuxCoord first new_coord = iris.coords.AuxCoord.from_coord(coord)[coord_keys] cube.add_aux_coord(new_coord, new_dims) coord_mapping[id(coord)] = new_coord for factory in self.aux_factories: cube.add_aux_factory(factory.updated(coord_mapping)) # slice the cell measures and add them to the cube for cellmeasure in self.cell_measures(): dims = self.cell_measure_dims(cellmeasure) cm_keys = tuple([full_slice[dim] for dim in dims]) new_cm = cellmeasure[cm_keys] cube.add_cell_measure(new_cm, new_cell_measure_dims(cellmeasure)) return cube def subset(self, coord): """ Get a subset of the cube by providing the desired resultant coordinate. If the coordinate provided applies to the whole cube; the whole cube is returned. As such, the operation is not strict. """ if not isinstance(coord, iris.coords.Coord): raise ValueError('coord_to_extract must be a valid Coord.') # Get the coord to extract from the cube coord_to_extract = self.coord(coord) # If scalar, return the whole cube. Not possible to subset 1 point. if coord_to_extract in self.aux_coords and\ len(coord_to_extract.points) == 1: # Default to returning None result = None indices = coord_to_extract.intersect(coord, return_indices=True) # If there is an intersect between the two scalar coordinates; # return the whole cube. Else, return None. if len(indices): result = self else: if len(self.coord_dims(coord_to_extract)) > 1: msg = "Currently, only 1D coords can be used to subset a cube" raise iris.exceptions.CoordinateMultiDimError(msg) # Identify the dimension of the cube which this coordinate # references coord_to_extract_dim = self.coord_dims(coord_to_extract)[0] # Identify the indices which intersect the requested coord and # coord_to_extract coord_indices = coord_to_extract.intersect(coord, return_indices=True) # Build up a slice which spans the whole of the cube full_slice = [slice(None, None)] * len(self.shape) # Update the full slice to only extract specific indices which # were identified above full_slice[coord_to_extract_dim] = coord_indices full_slice = tuple(full_slice) result = self[full_slice] return result def extract(self, constraint): """ Filter the cube by the given constraint using :meth:`iris.Constraint.extract` method. """ # Cast the constraint into a proper constraint if it is not so already constraint = iris._constraints.as_constraint(constraint) return constraint.extract(self) def intersection(self, *args, **kwargs): """ Return the intersection of the cube with specified coordinate ranges. Coordinate ranges can be specified as: (a) instances of :class:`iris.coords.CoordExtent`. (b) keyword arguments, where the keyword name specifies the name of the coordinate (as defined in :meth:`iris.cube.Cube.coords()`) and the value defines the corresponding range of coordinate values as a tuple. The tuple must contain two, three, or four items corresponding to: (minimum, maximum, min_inclusive, max_inclusive). Where the items are defined as: * minimum The minimum value of the range to select. * maximum The maximum value of the range to select. * min_inclusive If True, coordinate values equal to `minimum` will be included in the selection. Default is True. * max_inclusive If True, coordinate values equal to `maximum` will be included in the selection. Default is True. To perform an intersection that ignores any bounds on the coordinates, set the optional keyword argument *ignore_bounds* to True. Defaults to False. .. note:: For ranges defined over "circular" coordinates (i.e. those where the `units` attribute has a modulus defined) the cube will be "rolled" to fit where neccesary. .. warning:: Currently this routine only works with "circular" coordinates (as defined in the previous note.) For example:: >>> import iris >>> cube = iris.load_cube(iris.sample_data_path('air_temp.pp')) >>> print(cube.coord('longitude').points[::10]) [ 0. 37.49999237 74.99998474 112.49996948 \ 149.99996948 187.49995422 224.99993896 262.49993896 299.99993896 \ 337.49990845] >>> subset = cube.intersection(longitude=(30, 50)) >>> print(subset.coord('longitude').points) [ 33.74999237 37.49999237 41.24998856 44.99998856 48.74998856] >>> subset = cube.intersection(longitude=(-10, 10)) >>> print(subset.coord('longitude').points) [-7.50012207 -3.75012207 0. 3.75 7.5 ] Returns: A new :class:`~iris.cube.Cube` giving the subset of the cube which intersects with the requested coordinate intervals. """ result = self ignore_bounds = kwargs.pop('ignore_bounds', False) for arg in args: result = result._intersect(*arg, ignore_bounds=ignore_bounds) for name, value in six.iteritems(kwargs): result = result._intersect(name, *value, ignore_bounds=ignore_bounds) return result def _intersect(self, name_or_coord, minimum, maximum, min_inclusive=True, max_inclusive=True, ignore_bounds=False): coord = self.coord(name_or_coord) if coord.ndim != 1: raise iris.exceptions.CoordinateMultiDimError(coord) if coord.nbounds not in (0, 2): raise ValueError('expected 0 or 2 bound values per cell') if minimum > maximum: raise ValueError('minimum greater than maximum') modulus = coord.units.modulus if modulus is None: raise ValueError('coordinate units with no modulus are not yet' ' supported') subsets, points, bounds = self._intersect_modulus(coord, minimum, maximum, min_inclusive, max_inclusive, ignore_bounds) # By this point we have either one or two subsets along the relevant # dimension. If it's just one subset (which might be a slice or an # unordered collection of indices) we can simply index the cube # and we're done. If it's two subsets we need to stitch the two # pieces together. # subsets provides a way of slicing the coordinates to ensure that # they remain contiguous. In doing so, this can mean # transforming the data (this stitching together of two separate # pieces). def make_chunk(key): chunk = self[key_tuple_prefix + (key,)] chunk_coord = chunk.coord(coord) chunk_coord.points = points[(key,)] if chunk_coord.has_bounds(): chunk_coord.bounds = bounds[(key,)] return chunk dim, = self.coord_dims(coord) key_tuple_prefix = (slice(None),) * dim chunks = [make_chunk(key) for key in subsets] if len(chunks) == 1: result = chunks[0] else: if self.has_lazy_data(): data = biggus.LinearMosaic([chunk.lazy_data() for chunk in chunks], dim) else: module = ma if ma.isMaskedArray(self.data) else np data = module.concatenate([chunk.data for chunk in chunks], dim) result = iris.cube.Cube(data) result.metadata = copy.deepcopy(self.metadata) # Record a mapping from old coordinate IDs to new coordinates, # for subsequent use in creating updated aux_factories. coord_mapping = {} def create_coords(src_coords, add_coord): # Add copies of the source coordinates, selecting # the appropriate subsets out of coordinates which # share the intersection dimension. preserve_circular = (min_inclusive and max_inclusive and abs(maximum - minimum) == modulus) for src_coord in src_coords: dims = self.coord_dims(src_coord) if dim in dims: dim_within_coord = dims.index(dim) points = np.concatenate([chunk.coord(src_coord).points for chunk in chunks], dim_within_coord) if src_coord.has_bounds(): bounds = np.concatenate( [chunk.coord(src_coord).bounds for chunk in chunks], dim_within_coord) else: bounds = None result_coord = src_coord.copy(points=points, bounds=bounds) circular = getattr(result_coord, 'circular', False) if circular and not preserve_circular: result_coord.circular = False else: result_coord = src_coord.copy() add_coord(result_coord, dims) coord_mapping[id(src_coord)] = result_coord create_coords(self.dim_coords, result.add_dim_coord) create_coords(self.aux_coords, result.add_aux_coord) for factory in self.aux_factories: result.add_aux_factory(factory.updated(coord_mapping)) return result def _intersect_derive_subset(self, coord, points, bounds, inside_indices): # Return the subsets, i.e. the means to allow the slicing of # coordinates to ensure that they remain contiguous. modulus = coord.units.modulus delta = coord.points[inside_indices] - points[inside_indices] step = np.rint(np.diff(delta) / modulus) non_zero_step_indices = np.nonzero(step)[0] def dim_coord_subset(): """ Derive the subset for dimension coordinates. Ensure that we do not wrap if blocks are at the very edge. That is, if the very edge is wrapped and corresponds to base + period, stop this unnecessary wraparound. """ # A contiguous block at the start and another at the end. # (NB. We can't have more than two blocks because we've already # restricted the coordinate's range to its modulus). end_of_first_chunk = non_zero_step_indices[0] index_of_second_chunk = inside_indices[end_of_first_chunk + 1] final_index = points.size - 1 # Condition1: The two blocks don't themselves wrap # (inside_indices is contiguous). # Condition2: Are we chunked at either extreme edge. edge_wrap = ((index_of_second_chunk == inside_indices[end_of_first_chunk] + 1) and index_of_second_chunk in (final_index, 1)) subsets = None if edge_wrap: # Increasing coord if coord.points[-1] > coord.points[0]: index_end = -1 index_start = 0 # Decreasing coord else: index_end = 0 index_start = -1 # Unwrap points and bounds (if present and equal base + period) if bounds is not None: edge_equal_base_period = ( np.isclose(coord.bounds[index_end, index_end], coord.bounds[index_start, index_start] + modulus)) if edge_equal_base_period: bounds[index_end, :] = coord.bounds[index_end, :] else: edge_equal_base_period = ( np.isclose(coord.points[index_end], coord.points[index_start] + modulus)) if edge_equal_base_period: points[index_end] = coord.points[index_end] subsets = [slice(inside_indices[0], inside_indices[-1] + 1)] # Either no edge wrap or edge wrap != base + period # i.e. derive subset without alteration if subsets is None: subsets = [ slice(index_of_second_chunk, None), slice(None, inside_indices[end_of_first_chunk] + 1) ] return subsets if isinstance(coord, iris.coords.DimCoord): if non_zero_step_indices.size: subsets = dim_coord_subset() else: # A single, contiguous block. subsets = [slice(inside_indices[0], inside_indices[-1] + 1)] else: # An AuxCoord could have its values in an arbitrary # order, and hence a range of values can select an # arbitrary subset. Also, we want to preserve the order # from the original AuxCoord. So we just use the indices # directly. subsets = [inside_indices] return subsets def _intersect_modulus(self, coord, minimum, maximum, min_inclusive, max_inclusive, ignore_bounds): modulus = coord.units.modulus if maximum > minimum + modulus: raise ValueError("requested range greater than coordinate's" " unit's modulus") if coord.has_bounds(): values = coord.bounds else: values = coord.points if values.max() > values.min() + modulus: raise ValueError("coordinate's range greater than coordinate's" " unit's modulus") min_comp = np.less_equal if min_inclusive else np.less max_comp = np.less_equal if max_inclusive else np.less if coord.has_bounds(): bounds = wrap_lons(coord.bounds, minimum, modulus) if ignore_bounds: points = wrap_lons(coord.points, minimum, modulus) inside_indices, = np.where( np.logical_and(min_comp(minimum, points), max_comp(points, maximum))) else: inside = np.logical_and(min_comp(minimum, bounds), max_comp(bounds, maximum)) inside_indices, = np.where(np.any(inside, axis=1)) # To ensure that bounds (and points) of matching cells aren't # "scrambled" by the wrap operation we detect split cells that # straddle the wrap point and choose a new wrap point which avoids # split cells. # For example: the cell [349.875, 350.4375] wrapped at -10 would # become [349.875, -9.5625] which is no longer valid. The lower # cell bound value (and possibly associated point) are # recalculated so that they are consistent with the extended # wrapping scheme which moves the wrap point to the correct lower # bound value (-10.125) thus resulting in the cell no longer # being split. For bounds which may extend exactly the length of # the modulus, we simply preserve the point to bound difference, # and call the new bounds = the new points + the difference. pre_wrap_delta = np.diff(coord.bounds[inside_indices]) post_wrap_delta = np.diff(bounds[inside_indices]) close_enough = np.allclose(pre_wrap_delta, post_wrap_delta) if not close_enough: split_cell_indices, _ = np.where(pre_wrap_delta != post_wrap_delta) # Recalculate the extended minimum. indices = inside_indices[split_cell_indices] cells = bounds[indices] cells_delta = np.diff(coord.bounds[indices]) # Watch out for ascending/descending bounds if cells_delta[0, 0] > 0: cells[:, 0] = cells[:, 1] - cells_delta[:, 0] minimum = np.min(cells[:, 0]) else: cells[:, 1] = cells[:, 0] + cells_delta[:, 0] minimum = np.min(cells[:, 1]) points = wrap_lons(coord.points, minimum, modulus) bound_diffs = coord.points[:, np.newaxis] - coord.bounds bounds = points[:, np.newaxis] - bound_diffs else: points = wrap_lons(coord.points, minimum, modulus) bounds = None inside_indices, = np.where( np.logical_and(min_comp(minimum, points), max_comp(points, maximum))) # Determine the subsets subsets = self._intersect_derive_subset(coord, points, bounds, inside_indices) return subsets, points, bounds def _as_list_of_coords(self, names_or_coords): """ Convert a name, coord, or list of names/coords to a list of coords. """ # If not iterable, convert to list of a single item if _is_single_item(names_or_coords): names_or_coords = [names_or_coords] coords = [] for name_or_coord in names_or_coords: if (isinstance(name_or_coord, six.string_types) or isinstance(name_or_coord, iris.coords.Coord)): coords.append(self.coord(name_or_coord)) else: # Don't know how to handle this type msg = ("Don't know how to handle coordinate of type %s. " "Ensure all coordinates are of type six.string_types " "or iris.coords.Coord.") % (type(name_or_coord), ) raise TypeError(msg) return coords def slices_over(self, ref_to_slice): """ Return an iterator of all subcubes along a given coordinate or dimension index, or multiple of these. Args: * ref_to_slice (string, coord, dimension index or a list of these): Determines which dimensions will be iterated along (i.e. the dimensions that are not returned in the subcubes). A mix of input types can also be provided. Returns: An iterator of subcubes. For example, to get all subcubes along the time dimension:: for sub_cube in cube.slices_over('time'): print(sub_cube) .. seealso:: :meth:`iris.cube.Cube.slices`. .. note:: The order of dimension references to slice along does not affect the order of returned items in the iterator; instead the ordering is based on the fastest-changing dimension. """ # Required to handle a mix between types. if _is_single_item(ref_to_slice): ref_to_slice = [ref_to_slice] slice_dims = set() for ref in ref_to_slice: try: coord, = self._as_list_of_coords(ref) except TypeError: dim = int(ref) if dim < 0 or dim > self.ndim: msg = ('Requested an iterator over a dimension ({}) ' 'which does not exist.'.format(dim)) raise ValueError(msg) # Convert coord index to a single-element list to prevent a # TypeError when `slice_dims.update` is called with it. dims = [dim] else: dims = self.coord_dims(coord) slice_dims.update(dims) all_dims = set(range(self.ndim)) opposite_dims = list(all_dims - slice_dims) return self.slices(opposite_dims, ordered=False) def slices(self, ref_to_slice, ordered=True): """ Return an iterator of all subcubes given the coordinates or dimension indices desired to be present in each subcube. Args: * ref_to_slice (string, coord, dimension index or a list of these): Determines which dimensions will be returned in the subcubes (i.e. the dimensions that are not iterated over). A mix of input types can also be provided. They must all be orthogonal (i.e. point to different dimensions). Kwargs: * ordered: if True, the order which the coords to slice or data_dims are given will be the order in which they represent the data in the resulting cube slices. If False, the order will follow that of the source cube. Default is True. Returns: An iterator of subcubes. For example, to get all 2d longitude/latitude subcubes from a multi-dimensional cube:: for sub_cube in cube.slices(['longitude', 'latitude']): print(sub_cube) .. seealso:: :meth:`iris.cube.Cube.slices_over`. """ if not isinstance(ordered, bool): raise TypeError("'ordered' argument to slices must be boolean.") # Required to handle a mix between types if _is_single_item(ref_to_slice): ref_to_slice = [ref_to_slice] dim_to_slice = [] for ref in ref_to_slice: try: # attempt to handle as coordinate coord = self._as_list_of_coords(ref)[0] dims = self.coord_dims(coord) if not dims: msg = ('Requested an iterator over a coordinate ({}) ' 'which does not describe a dimension.') msg = msg.format(coord.name()) raise ValueError(msg) dim_to_slice.extend(dims) except TypeError: try: # attempt to handle as dimension index dim = int(ref) except ValueError: raise ValueError('{} Incompatible type {} for ' 'slicing'.format(ref, type(ref))) if dim < 0 or dim > self.ndim: msg = ('Requested an iterator over a dimension ({}) ' 'which does not exist.'.format(dim)) raise ValueError(msg) dim_to_slice.append(dim) if len(set(dim_to_slice)) != len(dim_to_slice): msg = 'The requested coordinates are not orthogonal.' raise ValueError(msg) # Create a list with of the shape of our data dims_index = list(self.shape) # Set the dimensions which have been requested to length 1 for d in dim_to_slice: dims_index[d] = 1 return _SliceIterator(self, dims_index, dim_to_slice, ordered) def transpose(self, new_order=None): """ Re-order the data dimensions of the cube in-place. new_order - list of ints, optional By default, reverse the dimensions, otherwise permute the axes according to the values given. .. note:: If defined, new_order must span all of the data dimensions. Example usage:: # put the second dimension first, followed by the third dimension, and finally put the first dimension third cube.transpose([1, 2, 0]) """ if new_order is None: new_order = np.arange(self.ndim)[::-1] elif len(new_order) != self.ndim: raise ValueError('Incorrect number of dimensions.') if self.has_lazy_data(): self._my_data = self.lazy_data().transpose(new_order) else: self._my_data = self.data.transpose(new_order) dim_mapping = {src: dest for dest, src in enumerate(new_order)} def remap_dim_coord(coord_and_dim): coord, dim = coord_and_dim return coord, dim_mapping[dim] self._dim_coords_and_dims = list(map(remap_dim_coord, self._dim_coords_and_dims)) def remap_aux_coord(coord_and_dims): coord, dims = coord_and_dims return coord, tuple(dim_mapping[dim] for dim in dims) self._aux_coords_and_dims = list(map(remap_aux_coord, self._aux_coords_and_dims)) def xml(self, checksum=False, order=True, byteorder=True): """ Returns a fully valid CubeML string representation of the Cube. """ doc = Document() cube_xml_element = self._xml_element(doc, checksum=checksum, order=order, byteorder=byteorder) cube_xml_element.setAttribute("xmlns", XML_NAMESPACE_URI) doc.appendChild(cube_xml_element) # Print our newly created XML return doc.toprettyxml(indent=" ") def _xml_element(self, doc, checksum=False, order=True, byteorder=True): cube_xml_element = doc.createElement("cube") if self.standard_name: cube_xml_element.setAttribute('standard_name', self.standard_name) if self.long_name: cube_xml_element.setAttribute('long_name', self.long_name) if self.var_name: cube_xml_element.setAttribute('var_name', self.var_name) cube_xml_element.setAttribute('units', str(self.units)) if self.attributes: attributes_element = doc.createElement('attributes') for name in sorted(six.iterkeys(self.attributes)): attribute_element = doc.createElement('attribute') attribute_element.setAttribute('name', name) value = self.attributes[name] # Strict check because we don't want namedtuples. if type(value) in (list, tuple): delimiter = '[]' if isinstance(value, list) else '()' value = ', '.join(("'%s'" if isinstance(item, six.string_types) else '%s') % (item, ) for item in value) value = delimiter[0] + value + delimiter[1] else: value = str(value) attribute_element.setAttribute('value', value) attributes_element.appendChild(attribute_element) cube_xml_element.appendChild(attributes_element) coords_xml_element = doc.createElement("coords") for coord in sorted(self.coords(), key=lambda coord: coord.name()): # make a "cube coordinate" element which holds the dimensions (if # appropriate) which itself will have a sub-element of the # coordinate instance itself. cube_coord_xml_element = doc.createElement("coord") coords_xml_element.appendChild(cube_coord_xml_element) dims = list(self.coord_dims(coord)) if dims: cube_coord_xml_element.setAttribute("datadims", repr(dims)) coord_xml_element = coord.xml_element(doc) cube_coord_xml_element.appendChild(coord_xml_element) cube_xml_element.appendChild(coords_xml_element) # cell methods (no sorting!) cell_methods_xml_element = doc.createElement("cellMethods") for cm in self.cell_methods: cell_method_xml_element = cm.xml_element(doc) cell_methods_xml_element.appendChild(cell_method_xml_element) cube_xml_element.appendChild(cell_methods_xml_element) data_xml_element = doc.createElement("data") data_xml_element.setAttribute("shape", str(self.shape)) # NB. Getting a checksum triggers any deferred loading, # in which case it also has the side-effect of forcing the # byte order to be native. if checksum: data = self.data # Ensure consistent memory layout for checksums. def normalise(data): data = np.ascontiguousarray(data) if data.dtype.newbyteorder('<') != data.dtype: data = data.byteswap(False) data.dtype = data.dtype.newbyteorder('<') return data if isinstance(data, ma.MaskedArray): # Fill in masked values to avoid the checksum being # sensitive to unused numbers. Use a fixed value so # a change in fill_value doesn't affect the # checksum. crc = '0x%08x' % ( zlib.crc32(normalise(data.filled(0))) & 0xffffffff, ) data_xml_element.setAttribute("checksum", crc) if ma.is_masked(data): crc = '0x%08x' % ( zlib.crc32(normalise(data.mask)) & 0xffffffff, ) else: crc = 'no-masked-elements' data_xml_element.setAttribute("mask_checksum", crc) data_xml_element.setAttribute('fill_value', str(data.fill_value)) else: crc = '0x%08x' % (zlib.crc32(normalise(data)) & 0xffffffff, ) data_xml_element.setAttribute("checksum", crc) elif self.has_lazy_data(): data_xml_element.setAttribute("state", "deferred") else: data_xml_element.setAttribute("state", "loaded") # Add the dtype, and also the array and mask orders if the # data is loaded. if not self.has_lazy_data(): data = self.data dtype = data.dtype def _order(array): order = '' if array.flags['C_CONTIGUOUS']: order = 'C' elif array.flags['F_CONTIGUOUS']: order = 'F' return order if order: data_xml_element.setAttribute('order', _order(data)) # NB. dtype.byteorder can return '=', which is bad for # cross-platform consistency - so we use dtype.str # instead. if byteorder: array_byteorder = {'>': 'big', '<': 'little'}.get(dtype.str[0]) if array_byteorder is not None: data_xml_element.setAttribute('byteorder', array_byteorder) if order and isinstance(data, ma.core.MaskedArray): data_xml_element.setAttribute('mask_order', _order(data.mask)) else: dtype = self.lazy_data().dtype data_xml_element.setAttribute('dtype', dtype.name) cube_xml_element.appendChild(data_xml_element) return cube_xml_element def copy(self, data=None): """ Returns a deep copy of this cube. Kwargs: * data: Replace the data of the cube copy with provided data payload. Returns: A copy instance of the :class:`Cube`. """ return self._deepcopy({}, data) def __copy__(self): """Shallow copying is disallowed for Cubes.""" raise copy.Error("Cube shallow-copy not allowed. Use deepcopy() or " "Cube.copy()") def __deepcopy__(self, memo): return self._deepcopy(memo) def _deepcopy(self, memo, data=None): if data is None: # Use a copy of the source cube data. if self.has_lazy_data(): # Use copy.copy, as lazy arrays don't have a copy method. new_cube_data = copy.copy(self.lazy_data()) else: # Do *not* use copy.copy, as NumPy 0-d arrays do that wrong. new_cube_data = self.data.copy() else: # Use the provided data (without copying it). if not isinstance(data, biggus.Array): data = np.asanyarray(data) if data.shape != self.shape: msg = 'Cannot copy cube with new data of a different shape ' \ '(slice or subset the cube first).' raise ValueError(msg) new_cube_data = data new_dim_coords_and_dims = copy.deepcopy(self._dim_coords_and_dims, memo) new_aux_coords_and_dims = copy.deepcopy(self._aux_coords_and_dims, memo) # Record a mapping from old coordinate IDs to new coordinates, # for subsequent use in creating updated aux_factories. coord_mapping = {} for old_pair, new_pair in zip(self._dim_coords_and_dims, new_dim_coords_and_dims): coord_mapping[id(old_pair[0])] = new_pair[0] for old_pair, new_pair in zip(self._aux_coords_and_dims, new_aux_coords_and_dims): coord_mapping[id(old_pair[0])] = new_pair[0] new_cube = Cube(new_cube_data, dim_coords_and_dims=new_dim_coords_and_dims, aux_coords_and_dims=new_aux_coords_and_dims) new_cube.metadata = copy.deepcopy(self.metadata, memo) for factory in self.aux_factories: new_cube.add_aux_factory(factory.updated(coord_mapping)) return new_cube # START OPERATOR OVERLOADS def __eq__(self, other): result = NotImplemented if isinstance(other, Cube): result = self.metadata == other.metadata # having checked the metadata, now check the coordinates if result: coord_comparison = iris.analysis.coord_comparison(self, other) # if there are any coordinates which are not equal result = not (coord_comparison['not_equal'] or coord_comparison['non_equal_data_dimension']) # having checked everything else, check approximate data # equality - loading the data if has not already been loaded. if result: result = np.all(np.abs(self.data - other.data) < 1e-8) return result # Must supply __ne__, Python does not defer to __eq__ for negative equality def __ne__(self, other): result = self.__eq__(other) if result is not NotImplemented: result = not result return result # Must supply __hash__, Python 3 does not enable it if __eq__ is defined # This is necessary for merging, but probably shouldn't be used otherwise. # See #962 and #1772. def __hash__(self): return hash(id(self)) def __add__(self, other): return iris.analysis.maths.add(self, other, ignore=True) __radd__ = __add__ def __sub__(self, other): return iris.analysis.maths.subtract(self, other, ignore=True) __mul__ = iris.analysis.maths.multiply __rmul__ = iris.analysis.maths.multiply __div__ = iris.analysis.maths.divide __truediv__ = iris.analysis.maths.divide __pow__ = iris.analysis.maths.exponentiate # END OPERATOR OVERLOADS def add_history(self, string): """ Add the given string to the cube's history. If the history coordinate does not exist, then one will be created. .. deprecated:: 1.6 Add/modify history metadata within attr:`~iris.cube.Cube.attributes` as needed. """ warn_deprecated("Cube.add_history() has been deprecated - " "please modify/create cube.attributes['history'] " "as needed.") timestamp = datetime.datetime.now().strftime("%d/%m/%y %H:%M:%S") string = '%s Iris: %s' % (timestamp, string) try: history = self.attributes['history'] self.attributes['history'] = '%s\n%s' % (history, string) except KeyError: self.attributes['history'] = string # START ANALYSIS ROUTINES regridded = iris.util._wrap_function_for_method( iris.analysis._interpolate_private.regrid, """ Returns a new cube with values derived from this cube on the horizontal grid specified by the grid_cube. .. deprecated:: 1.10 Please replace usage of :meth:`~Cube.regridded` with :meth:`~Cube.regrid`. See :meth:`iris.analysis.interpolate.regrid` for details of exact usage equivalents. """) # END ANALYSIS ROUTINES def collapsed(self, coords, aggregator, **kwargs): """ Collapse one or more dimensions over the cube given the coordinate/s and an aggregation. Examples of aggregations that may be used include :data:`~iris.analysis.COUNT` and :data:`~iris.analysis.MAX`. Weighted aggregations (:class:`iris.analysis.WeightedAggregator`) may also be supplied. These include :data:`~iris.analysis.MEAN` and sum :data:`~iris.analysis.SUM`. Weighted aggregations support an optional *weights* keyword argument. If set, this should be supplied as an array of weights whose shape matches the cube. Values for latitude-longitude area weights may be calculated using :func:`iris.analysis.cartography.area_weights`. Some Iris aggregators support "lazy" evaluation, meaning that cubes resulting from this method may represent data arrays which are not computed until the data is requested (e.g. via ``cube.data`` or ``iris.save``). If lazy evaluation exists for the given aggregator it will be used wherever possible when this cube's data is itself a deferred array. Args: * coords (string, coord or a list of strings/coords): Coordinate names/coordinates over which the cube should be collapsed. * aggregator (:class:`iris.analysis.Aggregator`): Aggregator to be applied for collapse operation. Kwargs: * kwargs: Aggregation function keyword arguments. Returns: Collapsed cube. For example: >>> import iris >>> import iris.analysis >>> path = iris.sample_data_path('ostia_monthly.nc') >>> cube = iris.load_cube(path) >>> new_cube = cube.collapsed('longitude', iris.analysis.MEAN) >>> print(new_cube) surface_temperature / (K) (time: 54; latitude: 18) Dimension coordinates: time x - latitude - x Auxiliary coordinates: forecast_reference_time x - Scalar coordinates: forecast_period: 0 hours longitude: 180.0 degrees, bound=(0.0, 360.0) degrees Attributes: Conventions: CF-1.5 STASH: m01s00i024 Cell methods: mean: month, year mean: longitude .. note:: Some aggregations are not commutative and hence the order of processing is important i.e.:: tmp = cube.collapsed('realization', iris.analysis.VARIANCE) result = tmp.collapsed('height', iris.analysis.VARIANCE) is not necessarily the same result as:: tmp = cube.collapsed('height', iris.analysis.VARIANCE) result2 = tmp.collapsed('realization', iris.analysis.VARIANCE) Conversely operations which operate on more than one coordinate at the same time are commutative as they are combined internally into a single operation. Hence the order of the coordinates supplied in the list does not matter:: cube.collapsed(['longitude', 'latitude'], iris.analysis.VARIANCE) is the same (apart from the logically equivalent cell methods that may be created etc.) as:: cube.collapsed(['latitude', 'longitude'], iris.analysis.VARIANCE) .. _partially_collapse_multi-dim_coord: .. note:: You cannot partially collapse a multi-dimensional coordinate. Doing so would result in a partial collapse of the multi-dimensional coordinate. Instead you must either: * collapse in a single operation all cube axes that the multi-dimensional coordinate spans, * remove the multi-dimensional coordinate from the cube before performing the collapse operation, or * not collapse the coordinate at all. Multi-dimensional derived coordinates will not prevent a successful collapse operation. """ # Convert any coordinate names to coordinates coords = self._as_list_of_coords(coords) if (isinstance(aggregator, iris.analysis.WeightedAggregator) and not aggregator.uses_weighting(**kwargs)): msg = "Collapsing spatial coordinate {!r} without weighting" lat_match = [coord for coord in coords if 'latitude' in coord.name()] if lat_match: for coord in lat_match: warnings.warn(msg.format(coord.name())) # Determine the dimensions we need to collapse (and those we don't) if aggregator.cell_method == 'peak': dims_to_collapse = [list(self.coord_dims(coord)) for coord in coords] # Remove duplicate dimensions. new_dims = collections.OrderedDict.fromkeys( d for dim in dims_to_collapse for d in dim) # Reverse the dimensions so the order can be maintained when # reshaping the data. dims_to_collapse = list(new_dims)[::-1] else: dims_to_collapse = set() for coord in coords: dims_to_collapse.update(self.coord_dims(coord)) if not dims_to_collapse: msg = 'Cannot collapse a dimension which does not describe any ' \ 'data.' raise iris.exceptions.CoordinateCollapseError(msg) untouched_dims = set(range(self.ndim)) - set(dims_to_collapse) # Remove the collapsed dimension(s) from the metadata indices = [slice(None, None)] * self.ndim for dim in dims_to_collapse: indices[dim] = 0 collapsed_cube = self[tuple(indices)] # Collapse any coords that span the dimension(s) being collapsed for coord in self.dim_coords + self.aux_coords: coord_dims = self.coord_dims(coord) if set(dims_to_collapse).intersection(coord_dims): local_dims = [coord_dims.index(dim) for dim in dims_to_collapse if dim in coord_dims] collapsed_cube.replace_coord(coord.collapsed(local_dims)) untouched_dims = sorted(untouched_dims) # Record the axis(s) argument passed to 'aggregation', so the same is # passed to the 'update_metadata' function. collapse_axis = -1 data_result = None # Perform the actual aggregation. if aggregator.cell_method == 'peak': # The PEAK aggregator must collapse each coordinate separately. untouched_shape = [self.shape[d] for d in untouched_dims] collapsed_shape = [self.shape[d] for d in dims_to_collapse] new_shape = untouched_shape + collapsed_shape array_dims = untouched_dims + dims_to_collapse unrolled_data = np.transpose( self.data, array_dims).reshape(new_shape) for dim in dims_to_collapse: unrolled_data = aggregator.aggregate(unrolled_data, axis=-1, **kwargs) data_result = unrolled_data # Perform the aggregation in lazy form if possible. elif (aggregator.lazy_func is not None and len(dims_to_collapse) == 1 and self.has_lazy_data()): # Use a lazy operation separately defined by the aggregator, based # on the cube lazy array. # NOTE: do not reform the data in this case, as 'lazy_aggregate' # accepts multiple axes (unlike 'aggregate'). collapse_axis = dims_to_collapse try: data_result = aggregator.lazy_aggregate(self.lazy_data(), collapse_axis, **kwargs) except TypeError: # TypeError - when unexpected keywords passed through (such as # weights to mean) pass # If we weren't able to complete a lazy aggregation, compute it # directly now. if data_result is None: # Perform the (non-lazy) aggregation over the cube data # First reshape the data so that the dimensions being aggregated # over are grouped 'at the end' (i.e. axis=-1). dims_to_collapse = sorted(dims_to_collapse) end_size = reduce(operator.mul, (self.shape[dim] for dim in dims_to_collapse)) untouched_shape = [self.shape[dim] for dim in untouched_dims] new_shape = untouched_shape + [end_size] dims = untouched_dims + dims_to_collapse unrolled_data = np.transpose(self.data, dims).reshape(new_shape) # Perform the same operation on the weights if applicable if kwargs.get("weights") is not None: weights = kwargs["weights"].view() kwargs["weights"] = np.transpose(weights, dims).reshape(new_shape) data_result = aggregator.aggregate(unrolled_data, axis=-1, **kwargs) aggregator.update_metadata(collapsed_cube, coords, axis=collapse_axis, **kwargs) result = aggregator.post_process(collapsed_cube, data_result, coords, **kwargs) return result def aggregated_by(self, coords, aggregator, **kwargs): """ Perform aggregation over the cube given one or more "group coordinates". A "group coordinate" is a coordinate where repeating values represent a single group, such as a month coordinate on a daily time slice. Repeated values will form a group even if they are not consecutive. The group coordinates must all be over the same cube dimension. Each common value group identified over all the group-by coordinates is collapsed using the provided aggregator. Args: * coords (list of coord names or :class:`iris.coords.Coord` instances): One or more coordinates over which group aggregation is to be performed. * aggregator (:class:`iris.analysis.Aggregator`): Aggregator to be applied to each group. Kwargs: * kwargs: Aggregator and aggregation function keyword arguments. Returns: :class:`iris.cube.Cube`. .. note:: This operation does not yet have support for lazy evaluation. For example: >>> import iris >>> import iris.analysis >>> import iris.coord_categorisation as cat >>> fname = iris.sample_data_path('ostia_monthly.nc') >>> cube = iris.load_cube(fname, 'surface_temperature') >>> cat.add_year(cube, 'time', name='year') >>> new_cube = cube.aggregated_by('year', iris.analysis.MEAN) >>> print(new_cube) surface_temperature / (K) \ (time: 5; latitude: 18; longitude: 432) Dimension coordinates: time \ x - - latitude \ - x - longitude \ - - x Auxiliary coordinates: forecast_reference_time \ x - - year \ x - - Scalar coordinates: forecast_period: 0 hours Attributes: Conventions: CF-1.5 STASH: m01s00i024 Cell methods: mean: month, year mean: year """ groupby_coords = [] dimension_to_groupby = None # We can't handle weights if isinstance(aggregator, iris.analysis.WeightedAggregator) and \ aggregator.uses_weighting(**kwargs): raise ValueError('Invalid Aggregation, aggregated_by() cannot use' ' weights.') coords = self._as_list_of_coords(coords) for coord in sorted(coords, key=lambda coord: coord._as_defn()): if coord.ndim > 1: msg = 'Cannot aggregate_by coord %s as it is ' \ 'multidimensional.' % coord.name() raise iris.exceptions.CoordinateMultiDimError(msg) dimension = self.coord_dims(coord) if not dimension: msg = 'Cannot group-by the coordinate "%s", as its ' \ 'dimension does not describe any data.' % coord.name() raise iris.exceptions.CoordinateCollapseError(msg) if dimension_to_groupby is None: dimension_to_groupby = dimension[0] if dimension_to_groupby != dimension[0]: msg = 'Cannot group-by coordinates over different dimensions.' raise iris.exceptions.CoordinateCollapseError(msg) groupby_coords.append(coord) # Determine the other coordinates that share the same group-by # coordinate dimension. shared_coords = list(filter( lambda coord_: coord_ not in groupby_coords, self.coords(dimensions=dimension_to_groupby))) # Create the aggregation group-by instance. groupby = iris.analysis._Groupby(groupby_coords, shared_coords) # Create the resulting aggregate-by cube and remove the original # coordinates that are going to be groupedby. key = [slice(None, None)] * self.ndim # Generate unique index tuple key to maintain monotonicity. key[dimension_to_groupby] = tuple(range(len(groupby))) key = tuple(key) aggregateby_cube = self[key] for coord in groupby_coords + shared_coords: aggregateby_cube.remove_coord(coord) # Determine the group-by cube data shape. data_shape = list(self.shape + aggregator.aggregate_shape(**kwargs)) data_shape[dimension_to_groupby] = len(groupby) # Aggregate the group-by data. cube_slice = [slice(None, None)] * len(data_shape) for i, groupby_slice in enumerate(groupby.group()): # Slice the cube with the group-by slice to create a group-by # sub-cube. cube_slice[dimension_to_groupby] = groupby_slice groupby_sub_cube = self[tuple(cube_slice)] # Perform the aggregation over the group-by sub-cube and # repatriate the aggregated data into the aggregate-by cube data. cube_slice[dimension_to_groupby] = i result = aggregator.aggregate(groupby_sub_cube.data, axis=dimension_to_groupby, **kwargs) # Determine aggregation result data type for the aggregate-by cube # data on first pass. if i == 0: if isinstance(self.data, ma.MaskedArray): aggregateby_data = ma.zeros(data_shape, dtype=result.dtype) else: aggregateby_data = np.zeros(data_shape, dtype=result.dtype) aggregateby_data[tuple(cube_slice)] = result # Add the aggregation meta data to the aggregate-by cube. aggregator.update_metadata(aggregateby_cube, groupby_coords, aggregate=True, **kwargs) # Replace the appropriate coordinates within the aggregate-by cube. dim_coord, = self.coords(dimensions=dimension_to_groupby, dim_coords=True) or [None] for coord in groupby.coords: if dim_coord is not None and \ dim_coord._as_defn() == coord._as_defn() and \ isinstance(coord, iris.coords.DimCoord): aggregateby_cube.add_dim_coord(coord.copy(), dimension_to_groupby) else: aggregateby_cube.add_aux_coord(coord.copy(), dimension_to_groupby) # Attach the aggregate-by data into the aggregate-by cube. aggregateby_cube = aggregator.post_process(aggregateby_cube, aggregateby_data, coords, **kwargs) return aggregateby_cube def rolling_window(self, coord, aggregator, window, **kwargs): """ Perform rolling window aggregation on a cube given a coordinate, an aggregation method and a window size. Args: * coord (string/:class:`iris.coords.Coord`): The coordinate over which to perform the rolling window aggregation. * aggregator (:class:`iris.analysis.Aggregator`): Aggregator to be applied to the data. * window (int): Size of window to use. Kwargs: * kwargs: Aggregator and aggregation function keyword arguments. The weights argument to the aggregator, if any, should be a 1d array with the same length as the chosen window. Returns: :class:`iris.cube.Cube`. .. note:: This operation does not yet have support for lazy evaluation. For example: >>> import iris, iris.analysis >>> fname = iris.sample_data_path('GloSea4', 'ensemble_010.pp') >>> air_press = iris.load_cube(fname, 'surface_temperature') >>> print(air_press) surface_temperature / (K) \ (time: 6; latitude: 145; longitude: 192) Dimension coordinates: time \ x - - latitude \ - x - longitude \ - - x Auxiliary coordinates: forecast_period \ x - - Scalar coordinates: forecast_reference_time: 2011-07-23 00:00:00 realization: 10 Attributes: STASH: m01s00i024 source: Data from Met Office Unified Model um_version: 7.6 Cell methods: mean: time (1 hour) >>> print(air_press.rolling_window('time', iris.analysis.MEAN, 3)) surface_temperature / (K) \ (time: 4; latitude: 145; longitude: 192) Dimension coordinates: time \ x - - latitude \ - x - longitude \ - - x Auxiliary coordinates: forecast_period \ x - - Scalar coordinates: forecast_reference_time: 2011-07-23 00:00:00 realization: 10 Attributes: STASH: m01s00i024 source: Data from Met Office Unified Model um_version: 7.6 Cell methods: mean: time (1 hour) mean: time Notice that the forecast_period dimension now represents the 4 possible windows of size 3 from the original cube. """ coord = self._as_list_of_coords(coord)[0] if getattr(coord, 'circular', False): raise iris.exceptions.NotYetImplementedError( 'Rolling window over a circular coordinate.') if window < 2: raise ValueError('Cannot perform rolling window ' 'with a window size less than 2.') if coord.ndim > 1: raise iris.exceptions.CoordinateMultiDimError(coord) dimension = self.coord_dims(coord) if len(dimension) != 1: raise iris.exceptions.CoordinateCollapseError( 'Cannot perform rolling window with coordinate "%s", ' 'must map to one data dimension.' % coord.name()) dimension = dimension[0] # Use indexing to get a result-cube of the correct shape. # NB. This indexes the data array which is wasted work. # As index-to-get-shape-then-fiddle is a common pattern, perhaps # some sort of `cube.prepare()` method would be handy to allow # re-shaping with given data, and returning a mapping of # old-to-new-coords (to avoid having to use metadata identity)? key = [slice(None, None)] * self.ndim key[dimension] = slice(None, self.shape[dimension] - window + 1) new_cube = self[tuple(key)] # take a view of the original data using the rolling_window function # this will add an extra dimension to the data at dimension + 1 which # represents the rolled window (i.e. will have a length of window) rolling_window_data = iris.util.rolling_window(self.data, window=window, axis=dimension) # now update all of the coordinates to reflect the aggregation for coord_ in self.coords(dimensions=dimension): if coord_.has_bounds(): warnings.warn('The bounds of coordinate %r were ignored in ' 'the rolling window operation.' % coord_.name()) if coord_.ndim != 1: raise ValueError('Cannot calculate the rolling ' 'window of %s as it is a multidimensional ' 'coordinate.' % coord_.name()) new_bounds = iris.util.rolling_window(coord_.points, window) if np.issubdtype(new_bounds.dtype, np.str): # Handle case where the AuxCoord contains string. The points # are the serialized form of the points contributing to each # window and the bounds are the first and last points in the # window as with numeric coordinates. new_points = np.apply_along_axis(lambda x: '|'.join(x), -1, new_bounds) new_bounds = new_bounds[:, (0, -1)] else: # Take the first and last element of the rolled window (i.e. # the bounds) and the new points are the midpoints of these # bounds. new_bounds = new_bounds[:, (0, -1)] new_points = np.mean(new_bounds, axis=-1) # wipe the coords points and set the bounds new_coord = new_cube.coord(coord_) new_coord.points = new_points new_coord.bounds = new_bounds # update the metadata of the cube itself aggregator.update_metadata( new_cube, [coord], action='with a rolling window of length %s over' % window, **kwargs) # and perform the data transformation, generating weights first if # needed if isinstance(aggregator, iris.analysis.WeightedAggregator) and \ aggregator.uses_weighting(**kwargs): if 'weights' in kwargs: weights = kwargs['weights'] if weights.ndim > 1 or weights.shape[0] != window: raise ValueError('Weights for rolling window aggregation ' 'must be a 1d array with the same length ' 'as the window.') kwargs = dict(kwargs) kwargs['weights'] = iris.util.broadcast_to_shape( weights, rolling_window_data.shape, (dimension + 1,)) data_result = aggregator.aggregate(rolling_window_data, axis=dimension + 1, **kwargs) result = aggregator.post_process(new_cube, data_result, [coord], **kwargs) return result def interpolate(self, sample_points, scheme, collapse_scalar=True): """ Interpolate from this :class:`~iris.cube.Cube` to the given sample points using the given interpolation scheme. Args: * sample_points: A sequence of (coordinate, points) pairs over which to interpolate. The values for coordinates that correspond to dates or times may optionally be supplied as datetime.datetime or netcdftime.datetime instances. * scheme: The type of interpolation to use to interpolate from this :class:`~iris.cube.Cube` to the given sample points. The interpolation schemes currently available in Iris are: * :class:`iris.analysis.Linear`, and * :class:`iris.analysis.Nearest`. Kwargs: * collapse_scalar: Whether to collapse the dimension of scalar sample points in the resulting cube. Default is True. Returns: A cube interpolated at the given sample points. If `collapse_scalar` is True then the dimensionality of the cube will be the number of original cube dimensions minus the number of scalar coordinates. For example: >>> import datetime >>> import iris >>> path = iris.sample_data_path('uk_hires.pp') >>> cube = iris.load_cube(path, 'air_potential_temperature') >>> print(cube.summary(shorten=True)) air_potential_temperature / (K) \ (time: 3; model_level_number: 7; grid_latitude: 204; grid_longitude: 187) >>> print(cube.coord('time')) DimCoord([2009-11-19 10:00:00, 2009-11-19 11:00:00, \ 2009-11-19 12:00:00], standard_name='time', calendar='gregorian') >>> print(cube.coord('time').points) [ 349618. 349619. 349620.] >>> samples = [('time', 349618.5)] >>> result = cube.interpolate(samples, iris.analysis.Linear()) >>> print(result.summary(shorten=True)) air_potential_temperature / (K) \ (model_level_number: 7; grid_latitude: 204; grid_longitude: 187) >>> print(result.coord('time')) DimCoord([2009-11-19 10:30:00], standard_name='time', \ calendar='gregorian') >>> print(result.coord('time').points) [ 349618.5] >>> # For datetime-like coordinates, we can also use >>> # datetime-like objects. >>> samples = [('time', datetime.datetime(2009, 11, 19, 10, 30))] >>> result2 = cube.interpolate(samples, iris.analysis.Linear()) >>> print(result2.summary(shorten=True)) air_potential_temperature / (K) \ (model_level_number: 7; grid_latitude: 204; grid_longitude: 187) >>> print(result2.coord('time')) DimCoord([2009-11-19 10:30:00], standard_name='time', \ calendar='gregorian') >>> print(result2.coord('time').points) [ 349618.5] >>> print(result == result2) True """ coords, points = zip(*sample_points) interp = scheme.interpolator(self, coords) return interp(points, collapse_scalar=collapse_scalar) def regrid(self, grid, scheme): """ Regrid this :class:`~iris.cube.Cube` on to the given target `grid` using the given regridding `scheme`. Args: * grid: A :class:`~iris.cube.Cube` that defines the target grid. * scheme: The type of regridding to use to regrid this cube onto the target grid. The regridding schemes currently available in Iris are: * :class:`iris.analysis.Linear`, * :class:`iris.analysis.Nearest`, and * :class:`iris.analysis.AreaWeighted`. Returns: A cube defined with the horizontal dimensions of the target grid and the other dimensions from this cube. The data values of this cube will be converted to values on the new grid according to the given regridding scheme. """ regridder = scheme.regridder(self, grid) return regridder(self) class ClassDict(collections.MutableMapping, object): """ A mapping that stores objects keyed on their superclasses and their names. The mapping has a root class, all stored objects must be a subclass of the root class. The superclasses used for an object include the class of the object, but do not include the root class. Only one object is allowed for any key. """ def __init__(self, superclass): if not isinstance(superclass, type): raise TypeError("The superclass must be a Python type or new " "style class.") self._superclass = superclass self._basic_map = {} self._retrieval_map = {} def add(self, object_, replace=False): '''Add an object to the dictionary.''' if not isinstance(object_, self._superclass): msg = "Only subclasses of {!r} are allowed as values.".format( self._superclass.__name__) raise TypeError(msg) # Find all the superclasses of the given object, starting with the # object's class. superclasses = type.mro(type(object_)) if not replace: # Ensure nothing else is already registered against those # superclasses. # NB. This implies the _basic_map will also be empty for this # object. for key_class in superclasses: if key_class in self._retrieval_map: msg = "Cannot add instance of '%s' because instance of " \ "'%s' already added." % (type(object_).__name__, key_class.__name__) raise ValueError(msg) # Register the given object against those superclasses. for key_class in superclasses: self._retrieval_map[key_class] = object_ self._retrieval_map[key_class.__name__] = object_ self._basic_map[type(object_)] = object_ def __getitem__(self, class_): try: return self._retrieval_map[class_] except KeyError: raise KeyError('Coordinate system %r does not exist.' % class_) def __setitem__(self, key, value): raise NotImplementedError('You must call the add method instead.') def __delitem__(self, class_): cs = self[class_] keys = [k for k, v in six.iteritems(self._retrieval_map) if v == cs] for key in keys: del self._retrieval_map[key] del self._basic_map[type(cs)] return cs def __len__(self): return len(self._basic_map) def __iter__(self): for item in self._basic_map: yield item def keys(self): '''Return the keys of the dictionary mapping.''' return self._basic_map.keys() def sorted_axes(axes): """ Returns the axis names sorted alphabetically, with the exception that 't', 'z', 'y', and, 'x' are sorted to the end. """ return sorted(axes, key=lambda name: ({'x': 4, 'y': 3, 'z': 2, 't': 1}.get(name, 0), name)) # See Cube.slice() for the definition/context. class _SliceIterator(collections.Iterator): def __init__(self, cube, dims_index, requested_dims, ordered): self._cube = cube # Let Numpy do some work in providing all of the permutations of our # data shape. This functionality is something like: # ndindex(2, 1, 3) -> [(0, 0, 0), (0, 0, 1), (0, 0, 2), # (1, 0, 0), (1, 0, 1), (1, 0, 2)] self._ndindex = np.ndindex(*dims_index) self._requested_dims = requested_dims # indexing relating to sliced cube self._mod_requested_dims = np.argsort(requested_dims) self._ordered = ordered def __next__(self): # NB. When self._ndindex runs out it will raise StopIteration for us. index_tuple = next(self._ndindex) # Turn the given tuple into a list so that we can do something with it index_list = list(index_tuple) # For each of the spanning dimensions requested, replace the 0 with a # spanning slice for d in self._requested_dims: index_list[d] = slice(None, None) # Request the slice cube = self._cube[tuple(index_list)] if self._ordered: if any(self._mod_requested_dims != list(range(len(cube.shape)))): cube.transpose(self._mod_requested_dims) return cube next = __next__
zak-k/iris
lib/iris/cube.py
Python
gpl-3.0
158,449
[ "NetCDF" ]
a31b4f2d2091b9de6967feed63655f9d565aea8d974678cdc134d4930baea977
# -*- coding: utf-8 -*- # HORTON: Helpful Open-source Research TOol for N-fermion systems. # Copyright (C) 2011-2015 The HORTON Development Team # # This file is part of HORTON. # # HORTON 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. # # HORTON 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/> # #-- '''Gaussian LOG and FCHK file fromats''' import numpy as np __all__ = ['load_operators_g09', 'FCHKFile', 'load_fchk'] def load_operators_g09(fn, lf): """Loads several one- and four-index operators from a Gaussian log file. **Arugment:** fn The filename of the Gaussian log file. lf A LinalgFactory instance. The following two-index operators are loaded if present: overlap, kinetic, nuclear attraction. The following four-index operator is loaded if present: electrostatic repulsion. In order to make all these matrices are present in the Gaussian log file, the following commands must be used in the Gaussian input file: scf(conventional) iop(3/33=5) extralinks=l316 iop(3/27=999) **Returns:** A dictionary that may contain the keys: ``olp``, ``kin``, ``na`` and/or ``er``. """ with open(fn) as f: # First get the line with the number of orbital basis functions for line in f: if line.startswith(' NBasis ='): nbasis = int(line[12:18]) break if lf.default_nbasis is not None and lf.default_nbasis != nbasis: raise TypeError('The value of lf.default_nbasis does not match nbasis reported in the log file.') lf.default_nbasis = nbasis # Then load the one- and four-index operators. This part is written such # that it does not make any assumptions about the order in which these # operators are printed. result = {'lf': lf} for line in f: if line.startswith(' *** Overlap ***'): result['olp'] = _load_twoindex_g09(f, nbasis, lf) elif line.startswith(' *** Kinetic Energy ***'): result['kin'] = _load_twoindex_g09(f, nbasis, lf) elif line.startswith(' ***** Potential Energy *****'): result['na'] = _load_twoindex_g09(f, nbasis, lf) elif line.startswith(' *** Dumping Two-Electron integrals ***'): result['er'] = _load_fourindex_g09(f, nbasis, lf) return result def _load_twoindex_g09(f, nbasis, lf): """Load a two-index operator from a Gaussian log file **Arguments:** f A file object for the Gaussian log file in read mode. nbasis The number of orbital basis functions. lf A LinalgFactory instance. """ result = lf.create_two_index(nbasis) block_counter = 0 while block_counter < nbasis: # skip the header line f.next() # determine the number of rows in this part nrow = nbasis - block_counter for i in xrange(nrow): words = f.next().split()[1:] for j in xrange(len(words)): value = float(words[j].replace('D', 'E')) result.set_element(i+block_counter, j+block_counter, value) block_counter += 5 return result def _load_fourindex_g09(f, nbasis, lf): """Load a four-index operator from a Gaussian log file **Arguments:** f A file object for the Gaussian log file in read mode. nbasis The number of orbital basis functions. lf A LinalgFactory instance. """ result = lf.create_four_index(nbasis) # Skip first six lines for i in xrange(6): f.next() # Start reading elements until a line is encountered that does not start # with ' I=' while True: line = f.next() if not line.startswith(' I='): break #print line[3:7], line[9:13], line[15:19], line[21:25], line[28:].replace('D', 'E') i = int(line[3:7])-1 j = int(line[9:13])-1 k = int(line[15:19])-1 l = int(line[21:25])-1 value = float(line[29:].replace('D', 'E')) # Gaussian uses the chemists notation for the 4-center indexes. HORTON # uses the physicists notation. result.set_element(i, k, j, l, value) return result class FCHKFile(dict): """Reader for Formatted checkpoint files After initialization, the data from the file is available in the fields dictionary. Also the following attributes are read from the file: title, command, lot (level of theory) and basis. """ def __init__(self, filename, field_labels=None): """ **Arguments:** filename The formatted checkpoint file. **Optional arguments:** field_labels When provided, only these fields are read from the formatted checkpoint file. (This can save a lot of time.) """ dict.__init__(self, []) self.filename = filename self._read(filename, set(field_labels)) def _read(self, filename, field_labels=None): """Read all the requested fields""" # if fields is None, all fields are read def read_field(f): """Read a single field""" datatype = None while datatype is None: # find a sane header line line = f.readline() if line == "": return False label = line[:43].strip() if field_labels is not None: if len(field_labels) == 0: return False elif label not in field_labels: return True else: field_labels.discard(label) line = line[43:] words = line.split() if len(words) == 0: return True if words[0] == 'I': datatype = int elif words[0] == 'R': datatype = float if len(words) == 2: try: value = datatype(words[1]) except ValueError: return True elif len(words) == 3: if words[1] != "N=": raise IOError("Unexpected line in formatted checkpoint file %s\n%s" % (filename, line[:-1])) length = int(words[2]) value = np.zeros(length, datatype) counter = 0 try: while counter < length: line = f.readline() if line == "": raise IOError("Unexpected end of formatted checkpoint file %s" % filename) for word in line.split(): try: value[counter] = datatype(word) except (ValueError, OverflowError), e: raise IOError('Could not interpret word while reading %s: %s' % (word, filename)) counter += 1 except ValueError: return True else: raise IOError("Unexpected line in formatted checkpoint file %s\n%s" % (filename, line[:-1])) self[label] = value return True f = file(filename, 'r') self.title = f.readline()[:-1].strip() words = f.readline().split() if len(words) == 3: self.command, self.lot, self.obasis = words elif len(words) == 2: self.command, self.lot = words else: raise IOError('The second line of the FCHK file should contain two or three words.') while read_field(f): pass f.close() def triangle_to_dense(triangle): '''Convert a symmetric matrix in triangular storage to a dense square matrix. **Arguments:** triangle A row vector containing all the unique matrix elements of symmetrix matrix. (Either the lower-triangular part in row major-order or the upper-triangular part in column-major order.) **Returns:** a square symmetrix matrix. ''' nrow = int(np.round((np.sqrt(1+8*len(triangle))-1)/2)) result = np.zeros((nrow, nrow)) begin = 0 for irow in xrange(nrow): end = begin + irow + 1 result[irow,:irow+1] = triangle[begin:end] result[:irow+1,irow] = triangle[begin:end] begin = end return result def load_fchk(filename, lf): '''Load from a formatted checkpoint file. **Arguments:** filename The filename of the Gaussian formatted checkpoint file. lf A LinalgFactory instance. **Returns** a dictionary with: ``title``, ``coordinates``, ``numbers``, ``obasis``, ``exp_alpha``, ``permutation``, ``energy``, ``pseudo_numbers``, ``mulliken_charges``. The dictionary may also contain: ``npa_charges``, ``esp_charges``, ``exp_beta``, ``dm_full_mp2``, ``dm_spin_mp2``, ``dm_full_mp3``, ``dm_spin_mp3``, ``dm_full_cc``, ``dm_spin_cc``, ``dm_full_ci``, ``dm_spin_ci``, ``dm_full_scf``, ``dm_spin_scf``. ''' from horton.gbasis import GOBasis fchk = FCHKFile(filename, [ "Number of electrons", "Number of independant functions", "Number of independent functions", "Number of alpha electrons", "Number of beta electrons", "Atomic numbers", "Current cartesian coordinates", "Shell types", "Shell to atom map", "Shell to atom map", "Number of primitives per shell", "Primitive exponents", "Contraction coefficients", "P(S=P) Contraction coefficients", "Alpha Orbital Energies", "Alpha MO coefficients", "Beta Orbital Energies", "Beta MO coefficients", "Total Energy", "Nuclear charges", 'Total SCF Density', 'Spin SCF Density', 'Total MP2 Density', 'Spin MP2 Density', 'Total MP3 Density', 'Spin MP3 Density', 'Total CC Density', 'Spin CC Density', 'Total CI Density', 'Spin CI Density', 'Mulliken Charges', 'ESP Charges', 'NPA Charges', 'Polarizability', ]) # A) Load the geometry numbers = fchk["Atomic numbers"] coordinates = fchk["Current cartesian coordinates"].reshape(-1,3) pseudo_numbers = fchk["Nuclear charges"] # Mask out ghost atoms mask = pseudo_numbers != 0.0 numbers = numbers[mask] # Do not overwrite coordinates array, because it is needed to specify basis system_coordinates = coordinates[mask] pseudo_numbers = pseudo_numbers[mask] # B) Load the orbital basis set shell_types = fchk["Shell types"] shell_map = fchk["Shell to atom map"] - 1 nprims = fchk["Number of primitives per shell"] alphas = fchk["Primitive exponents"] ccoeffs_level1 = fchk["Contraction coefficients"] ccoeffs_level2 = fchk.get("P(S=P) Contraction coefficients") my_shell_types = [] my_shell_map = [] my_nprims = [] my_alphas = [] con_coeffs = [] counter = 0 for i, n in enumerate(nprims): if shell_types[i] == -1: # Special treatment for SP shell type my_shell_types.append(0) my_shell_types.append(1) my_shell_map.append(shell_map[i]) my_shell_map.append(shell_map[i]) my_nprims.append(nprims[i]) my_nprims.append(nprims[i]) my_alphas.append(alphas[counter:counter+n]) my_alphas.append(alphas[counter:counter+n]) con_coeffs.append(ccoeffs_level1[counter:counter+n]) con_coeffs.append(ccoeffs_level2[counter:counter+n]) else: my_shell_types.append(shell_types[i]) my_shell_map.append(shell_map[i]) my_nprims.append(nprims[i]) my_alphas.append(alphas[counter:counter+n]) con_coeffs.append(ccoeffs_level1[counter:counter+n]) counter += n my_shell_types = np.array(my_shell_types) my_shell_map = np.array(my_shell_map) my_nprims = np.array(my_nprims) my_alphas = np.concatenate(my_alphas) con_coeffs = np.concatenate(con_coeffs) del shell_map del shell_types del nprims del alphas obasis = GOBasis(coordinates, my_shell_map, my_nprims, my_shell_types, my_alphas, con_coeffs) if lf.default_nbasis is not None and lf.default_nbasis != obasis.nbasis: raise TypeError('The value of lf.default_nbasis does not match nbasis reported in the fchk file.') lf.default_nbasis = obasis.nbasis # permutation of the orbital basis functions permutation_rules = { -9: np.arange(19), -8: np.arange(17), -7: np.arange(15), -6: np.arange(13), -5: np.arange(11), -4: np.arange(9), -3: np.arange(7), -2: np.arange(5), 0: np.array([0]), 1: np.arange(3), 2: np.array([0, 3, 4, 1, 5, 2]), 3: np.array([0, 4, 5, 3, 9, 6, 1, 8, 7, 2]), 4: np.arange(15)[::-1], 5: np.arange(21)[::-1], 6: np.arange(28)[::-1], 7: np.arange(36)[::-1], 8: np.arange(45)[::-1], 9: np.arange(55)[::-1], } permutation = [] for shell_type in my_shell_types: permutation.extend(permutation_rules[shell_type]+len(permutation)) permutation = np.array(permutation, dtype=int) result = { 'title': fchk.title, 'coordinates': system_coordinates, 'lf': lf, 'numbers': numbers, 'obasis': obasis, 'permutation': permutation, 'pseudo_numbers': pseudo_numbers, } # C) Load density matrices def load_dm(label): if label in fchk: dm = lf.create_two_index(obasis.nbasis) start = 0 for i in xrange(obasis.nbasis): stop = start+i+1 dm._array[i,:i+1] = fchk[label][start:stop] dm._array[:i+1,i] = fchk[label][start:stop] start = stop return dm # First try to load the post-hf density matrices. load_orbitals = True for key in 'MP2', 'MP3', 'CC', 'CI', 'SCF': dm_full = load_dm('Total %s Density' % key) if dm_full is not None: result['dm_full_%s' % key.lower()] = dm_full dm_spin = load_dm('Spin %s Density' % key) if dm_spin is not None: result['dm_spin_%s' % key.lower()] = dm_spin # D) Load the wavefunction # Handle small difference in fchk files from g03 and g09 nbasis_indep = fchk.get("Number of independant functions") or \ fchk.get("Number of independent functions") if nbasis_indep is None: nbasis_indep = obasis.nbasis # Load orbitals nalpha = fchk['Number of alpha electrons'] nbeta = fchk['Number of beta electrons'] if nalpha < 0 or nbeta < 0 or nalpha+nbeta <= 0: raise ValueError('The file %s does not contain a positive number of electrons.' % filename) exp_alpha = lf.create_expansion(obasis.nbasis, nbasis_indep) exp_alpha.coeffs[:] = fchk['Alpha MO coefficients'].reshape(nbasis_indep, obasis.nbasis).T exp_alpha.energies[:] = fchk['Alpha Orbital Energies'] exp_alpha.occupations[:nalpha] = 1.0 result['exp_alpha'] = exp_alpha if 'Beta Orbital Energies' in fchk: # UHF case exp_beta = lf.create_expansion(obasis.nbasis, nbasis_indep) exp_beta.coeffs[:] = fchk['Beta MO coefficients'].reshape(nbasis_indep, obasis.nbasis).T exp_beta.energies[:] = fchk['Beta Orbital Energies'] exp_beta.occupations[:nbeta] = 1.0 result['exp_beta'] = exp_beta elif fchk['Number of beta electrons'] != fchk['Number of alpha electrons']: # ROHF case exp_beta = lf.create_expansion(obasis.nbasis, nbasis_indep) exp_beta.coeffs[:] = fchk['Alpha MO coefficients'].reshape(nbasis_indep, obasis.nbasis).T exp_beta.energies[:] = fchk['Alpha Orbital Energies'] exp_beta.occupations[:nbeta] = 1.0 result['exp_beta'] = exp_beta # Delete dm_full_scf because it is known to be buggy result.pop('dm_full_scf') # E) Load properties result['energy'] = fchk['Total Energy'] if 'Polarizability' in fchk: result['polar'] = triangle_to_dense(fchk['Polarizability']) # F) Load optional properties # Mask out ghost atoms from charges if 'Mulliken Charges' in fchk: result['mulliken_charges'] = fchk['Mulliken Charges'][mask] if 'ESP Charges' in fchk: result['esp_charges'] = fchk['ESP Charges'][mask] if 'NPA Charges' in fchk: result['npa_charges'] = fchk['NPA Charges'][mask] return result
eustislab/horton
horton/io/gaussian.py
Python
gpl-3.0
17,417
[ "Gaussian" ]
610605213ff613c7d06822fd7c0fd32b1b321856da99fe0b2d2eeed048185bba
from brian2 import * from data_utils import * set_device('cpp_standalone', build_on_run=False) # neuronal parameters N = 12500 # total number of neurons NE = 10000 # number of excitatory neurons vth = 20*mV # threshold potential vr = 10*mV # reset potential tau = 20*ms # membrane time constant eqs_neurons=''' inp : volt dv/dt = (-v + inp)/tau : volt ''' P=NeuronGroup(N=N,model=eqs_neurons,\ threshold='v>=vth',reset='v=vr',\ refractory=2*ms,method='euler') P.v = uniform(size=12500)*vth # synaptic parameters g = 5 # ratio of inh to exc J = 0.1*mV # synaptic weight p = 0.1 # connection probability delay = 1.5*ms # synaptic delay # delta-function synapses con = Synapses(P,P,'w:volt (constant)',on_pre='v_post+=w',method='euler') #con.connect(condition='i!=j',p=p) print 'computing connection matrix' CE = int(p*NE) CI = int(p*(N-NE)) C = CE+CI conn_i = np.zeros(C*N,dtype=int) preneuronsE = arange(0,NE,dtype=int) preneuronsI = arange(NE,N,dtype=int) for j in range(N): # loop over post-synaptic neurons # draw CE number of neuron indices out of NE neurons, no autapses if j<NE: preneurons = np.delete(preneuronsE,j) else: preneurons = preneuronsE conn_i[j*C:j*C+CE] = np.random.permutation(preneurons)[:CE] # draw CI number of neuron indices out of inhibitory neurons, no autapses if j>NE: preneurons = np.delete(preneuronsI,j-NE) else: preneurons = preneuronsI conn_i[j*C+CE:(j+1)*C] = np.random.permutation(preneurons)[:CI] conn_j = np.repeat(range(N),C) print 'connecting network' con.connect(i=conn_i,j=conn_j) con.delay = delay con.w['i<NE'] = J con.w['i>=NE'] = -g*J # input parameters inpfactor = 2 nu_theta = vth/(p*NE*J*tau) Pinp = PoissonGroup(N=N,rates=inpfactor*nu_theta) con_ext = Synapses(Pinp, P, on_pre='v += J') con_ext.connect(True, p=p*NE/float(N)) con_ext.delay = delay sm = SpikeMonitor(P) sr = PopulationRateMonitor(P) sm_vm = StateMonitor(P,'v',record=range(5)) print 'compiling/running' run(0.25*second, report='text') device.build(directory='output', compile=True, run=True, debug=False); print "mean activity (Hz) =",mean(sr.rate/Hz) figure() plot(sm.t/ms,sm.i,'.') #ylim([1350,1400]) figure() plot(sr.t/ms,sr.rate/Hz,',-') #figure() #hist(CV_spiketrains(array(sm.t),array(sm.i),0.,range(N)),bins=100) show()
h-mayorquin/camp_india_2016
tutorials/EI networks/STEP3_ExcInhNet_Brunel2000_brian2.py
Python
mit
2,316
[ "NEURON" ]
d1618bda437cef9bfebb20ed465c842940c77e79e8b5a395c00358699a83e25a
# # Copyright 2014-2015, 2017, 2020-2021 Lars Pastewka (U. Freiburg) # 2018-2021 Jan Griesser (U. Freiburg) # 2020 Jonas Oldenstaedt (U. Freiburg) # 2015 Adrien Gola (KIT) # 2014 James Kermode (Warwick U.) # # matscipy - Materials science with Python at the atomic-scale # https://github.com/libAtoms/matscipy # # 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, see <http://www.gnu.org/licenses/>. # from .kumagai import Kumagai from .tersoff_brenner import TersoffBrenner from .stillinger_weber import StillingerWeber from .harmonic import ZeroPair, ZeroTriplet, HarmonicBond, HarmonicAngle
libAtoms/matscipy
matscipy/calculators/manybody/explicit_forms/__init__.py
Python
lgpl-2.1
1,181
[ "Matscipy" ]
591e8df1b22e592dcd19ca40cdd3c7443f15cb981e712c07a54f97bf2a7d726b
#!/usr/bin/env python # # Appcelerator Titanium Module Packager # # import os, subprocess, sys, glob, string, optparse, subprocess import zipfile from datetime import date cwd = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) os.chdir(cwd) required_module_keys = ['name','version','moduleid','description','copyright','license','copyright','platform','minsdk'] module_defaults = { 'description':'My module', 'author': 'Your Name', 'license' : 'Specify your license', 'copyright' : 'Copyright (c) %s by Your Company' % str(date.today().year), } module_license_default = "TODO: place your license here and we'll include it in the module distribution" def find_sdk(config): sdk = config['TITANIUM_SDK'] return os.path.expandvars(os.path.expanduser(sdk)) def replace_vars(config,token): idx = token.find('$(') while idx != -1: idx2 = token.find(')',idx+2) if idx2 == -1: break key = token[idx+2:idx2] if not config.has_key(key): break token = token.replace('$(%s)' % key, config[key]) idx = token.find('$(') return token def read_ti_xcconfig(): contents = open(os.path.join(cwd,'titanium.xcconfig')).read() config = {} for line in contents.splitlines(False): line = line.strip() if line[0:2]=='//': continue idx = line.find('=') if idx > 0: key = line[0:idx].strip() value = line[idx+1:].strip() config[key] = replace_vars(config,value) return config def generate_doc(config): docdir = os.path.join(cwd,'documentation') if not os.path.exists(docdir): warn("Couldn't find documentation file at: %s" % docdir) return None try: import markdown2 as markdown except ImportError: import markdown documentation = [] for file in os.listdir(docdir): if file in ignoreFiles or os.path.isdir(os.path.join(docdir, file)): continue md = open(os.path.join(docdir,file)).read() html = markdown.markdown(md) documentation.append({file:html}); return documentation def compile_js(manifest,config): js_file = os.path.join(cwd,'assets','ti.touchid.js') if not os.path.exists(js_file): return from compiler import Compiler try: import json except: import simplejson as json compiler = Compiler(cwd, manifest['moduleid'], manifest['name'], 'commonjs') root_asset, module_assets = compiler.compile_module() root_asset_content = """ %s return filterDataInRange([NSData dataWithBytesNoCopy:data length:sizeof(data) freeWhenDone:NO], ranges[0]); """ % root_asset module_asset_content = """ %s NSNumber *index = [map objectForKey:path]; if (index == nil) { return nil; } return filterDataInRange([NSData dataWithBytesNoCopy:data length:sizeof(data) freeWhenDone:NO], ranges[index.integerValue]); """ % module_assets from tools import splice_code assets_router = os.path.join(cwd,'Classes','TiTouchidModuleAssets.m') splice_code(assets_router, 'asset', root_asset_content) splice_code(assets_router, 'resolve_asset', module_asset_content) # Generate the exports after crawling all of the available JS source exports = open('metadata.json','w') json.dump({'exports':compiler.exports }, exports) exports.close() def die(msg): print msg sys.exit(1) def info(msg): print "[INFO] %s" % msg def warn(msg): print "[WARN] %s" % msg def validate_license(): c = open(os.path.join(cwd,'LICENSE')).read() if c.find(module_license_default)!=-1: warn('please update the LICENSE file with your license text before distributing') def validate_manifest(): path = os.path.join(cwd,'manifest') f = open(path) if not os.path.exists(path): die("missing %s" % path) manifest = {} for line in f.readlines(): line = line.strip() if line[0:1]=='#': continue if line.find(':') < 0: continue key,value = line.split(':') manifest[key.strip()]=value.strip() for key in required_module_keys: if not manifest.has_key(key): die("missing required manifest key '%s'" % key) if module_defaults.has_key(key): defvalue = module_defaults[key] curvalue = manifest[key] if curvalue==defvalue: warn("please update the manifest key: '%s' to a non-default value" % key) return manifest,path ignoreFiles = ['.DS_Store','.gitignore','libTitanium.a','titanium.jar','README'] ignoreDirs = ['.DS_Store','.svn','.git','CVSROOT'] def zip_dir(zf,dir,basepath,ignoreExt=[]): if not os.path.exists(dir): return for root, dirs, files in os.walk(dir): 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 e = os.path.splitext(file) if len(e) == 2 and e[1] in ignoreExt: continue from_ = os.path.join(root, file) to_ = from_.replace(dir, '%s/%s'%(basepath,dir), 1) zf.write(from_, to_) def glob_libfiles(): files = [] for libfile in glob.glob('build/**/*.a'): if libfile.find('Release-')!=-1: files.append(libfile) return files def build_module(manifest,config): from tools import ensure_dev_path ensure_dev_path() rc = os.system("xcodebuild -sdk iphoneos -configuration Release OTHER_CFLAGS=\"-fembed-bitcode\"") if rc != 0: die("xcodebuild failed") rc = os.system("xcodebuild -sdk iphonesimulator -configuration Release OTHER_CFLAGS=\"-fembed-bitcode\"") if rc != 0: die("xcodebuild failed") # build the merged library using lipo moduleid = manifest['moduleid'] libpaths = '' for libfile in glob_libfiles(): libpaths+='%s ' % libfile os.system("lipo %s -create -output build/lib%s.a" %(libpaths,moduleid)) def generate_apidoc(apidoc_build_path): global options if options.skip_docs: info("Skipping documentation generation.") return False else: info("Module apidoc generation can be skipped using --skip-docs") apidoc_path = os.path.join(cwd, "apidoc") if not os.path.exists(apidoc_path): warn("Skipping apidoc generation. No apidoc folder found at: %s" % apidoc_path) return False if not os.path.exists(apidoc_build_path): os.makedirs(apidoc_build_path) ti_root = string.strip(subprocess.check_output(["echo $TI_ROOT"], shell=True)) if not len(ti_root) > 0: warn("Not generating documentation from the apidoc folder. The titanium_mobile repo could not be found.") warn("Set the TI_ROOT environment variable to the parent folder where the titanium_mobile repo resides (eg.'export TI_ROOT=/Path').") return False docgen = os.path.join(ti_root, "titanium_mobile", "apidoc", "docgen.py") if not os.path.exists(docgen): warn("Not generating documentation from the apidoc folder. Couldn't find docgen.py at: %s" % docgen) return False info("Generating documentation from the apidoc folder.") rc = os.system("\"%s\" --format=jsca,modulehtml --css=styles.css -o \"%s\" -e \"%s\"" % (docgen, apidoc_build_path, apidoc_path)) if rc != 0: die("docgen failed") return True def package_module(manifest,mf,config): name = manifest['name'].lower() moduleid = manifest['moduleid'].lower() version = manifest['version'] modulezip = '%s-iphone-%s.zip' % (moduleid,version) if os.path.exists(modulezip): os.remove(modulezip) zf = zipfile.ZipFile(modulezip, 'w', zipfile.ZIP_DEFLATED) modulepath = 'modules/iphone/%s/%s' % (moduleid,version) zf.write(mf,'%s/manifest' % modulepath) libname = 'lib%s.a' % moduleid zf.write('build/%s' % libname, '%s/%s' % (modulepath,libname)) docs = generate_doc(config) if docs!=None: for doc in docs: for file, html in doc.iteritems(): filename = string.replace(file,'.md','.html') zf.writestr('%s/documentation/%s'%(modulepath,filename),html) apidoc_build_path = os.path.join(cwd, "build", "apidoc") if generate_apidoc(apidoc_build_path): for file in os.listdir(apidoc_build_path): if file in ignoreFiles or os.path.isdir(os.path.join(apidoc_build_path, file)): continue zf.write(os.path.join(apidoc_build_path, file), '%s/documentation/apidoc/%s' % (modulepath, file)) zip_dir(zf,'assets',modulepath,['.pyc','.js']) zip_dir(zf,'example',modulepath,['.pyc']) zip_dir(zf,'platform',modulepath,['.pyc','.js']) zf.write('LICENSE','%s/LICENSE' % modulepath) zf.write('module.xcconfig','%s/module.xcconfig' % modulepath) exports_file = 'metadata.json' if os.path.exists(exports_file): zf.write(exports_file, '%s/%s' % (modulepath, exports_file)) zf.close() if __name__ == '__main__': global options parser = optparse.OptionParser() parser.add_option("-s", "--skip-docs", dest="skip_docs", action="store_true", help="Will skip building documentation in apidoc folder", default=False) (options, args) = parser.parse_args() manifest,mf = validate_manifest() validate_license() config = read_ti_xcconfig() sdk = find_sdk(config) sys.path.insert(0,os.path.join(sdk,'iphone')) sys.path.append(os.path.join(sdk, "common")) compile_js(manifest,config) build_module(manifest,config) package_module(manifest,mf,config) sys.exit(0)
titanium-forks/appcelerator-modules.ti.touchid
ios/build.py
Python
apache-2.0
8,826
[ "VisIt" ]
93bf4defa9c2a57d32ad31d86cc9754e1c395b14e2f270e87e204963643b17c2
import unittest from keras2pmml import keras2pmml from sklearn.datasets import load_iris import numpy as np import theano from keras.utils import np_utils from keras.models import Sequential from keras.layers.core import Dense class GenericFieldsTestCase(unittest.TestCase): def setUp(self): iris = load_iris() theano.config.floatX = 'float32' X = iris.data.astype(theano.config.floatX) y = iris.target.astype(np.int32) y_ohe = np_utils.to_categorical(y) model = Sequential() model.add(Dense(input_dim=X.shape[1], output_dim=5, activation='tanh')) model.add(Dense(input_dim=5, output_dim=y_ohe.shape[1], activation='sigmoid')) model.compile(loss='categorical_crossentropy', optimizer='sgd') model.fit(X, y_ohe, nb_epoch=10, batch_size=1, verbose=3, validation_data=None) params = {'copyright': 'Václav Čadek', 'model_name': 'Iris Model'} self.model = model self.pmml = keras2pmml(self.model, **params) self.num_inputs = self.model.input_shape[1] self.num_outputs = self.model.output_shape[1] self.num_connection_layers = len(self.model.layers) self.features = ['x{}'.format(i) for i in range(self.num_inputs)] self.class_values = ['y{}'.format(i) for i in range(self.num_outputs)] def test_data_dict(self): continuous_fields = self.pmml.findall("DataDictionary/DataField/[@optype='continuous']") categorical_field = self.pmml.findall("DataDictionary/DataField/[@optype='categorical']") self.assertEquals(len(continuous_fields), self.num_inputs, 'Correct number of continuous fields.') self.assertEquals(len(categorical_field), 1, 'Exactly one categorical field in data dictionary.') categorical_name = categorical_field[0].attrib.get('name', None) self.assertEquals(categorical_name, 'class', 'Correct target variable name.') output_values = categorical_field[0].findall('Value') self.assertEqual(len(output_values), self.num_outputs, 'Correct number of output values.') self.assertListEqual( [ov.attrib['value'] for ov in output_values], self.class_values ) self.assertListEqual( [ov.attrib['name'] for ov in continuous_fields], self.features ) def test_mining_schema(self): target_field = self.pmml.findall("NeuralNetwork/MiningSchema/MiningField/[@usageType='target']") active_fields = self.pmml.findall("NeuralNetwork/MiningSchema/MiningField/[@usageType='active']") self.assertEquals(len(active_fields), self.num_inputs, 'Correct number of active fields.') self.assertEquals(len(target_field), 1, 'Exactly one target field in mining schema.') target_name = target_field[0].attrib.get('name', None) self.assertEquals(target_name, 'class', 'Correct target field name.') self.assertListEqual( [ov.attrib['name'] for ov in active_fields], self.features ) def test_input(self): field_refs = self.pmml.findall("NeuralNetwork/NeuralInputs/NeuralInput/DerivedField/FieldRef") for fr in field_refs: if fr.attrib.get('field') not in self.features: self.fail('Field mapped to non-existing field.') def test_output(self): output_fields = self.pmml.findall("NeuralNetwork/Output/OutputField/[@feature='probability']") self.assertEqual(len(output_fields), self.num_outputs, 'Correct number of output fields.') self.assertListEqual( [of.attrib['name'] for of in output_fields], ['probability_{}'.format(v) for v in self.class_values] ) def test_topology(self): neural_inputs = self.pmml.findall('NeuralNetwork/NeuralInputs/NeuralInput') neural_outputs = self.pmml.findall('NeuralNetwork/NeuralOutputs/NeuralOutput') neural_layers = self.pmml.findall('NeuralNetwork/NeuralLayer') self.assertEqual(len(neural_inputs), self.num_inputs, 'Correct number of input neurons.') self.assertEqual(len(neural_outputs), self.num_outputs, 'Correct number of output neurons.') self.assertEquals(len(neural_layers), self.num_connection_layers, 'Correct number of layers.') for i, l in enumerate(neural_layers): weights = self.model.layers[i].get_weights()[0] biases = self.model.layers[i].get_weights()[1] for j, n in enumerate(l.findall('Neuron')): self.assertListEqual( [str(c.attrib['weight']) for c in n.findall('Con')], weights.astype(str)[:, j].tolist(), 'Verify correct weights and that is fully-connected from previous layer.' ) self.assertEquals(n.attrib['bias'], biases.astype(str)[j])
vaclavcadek/keras2pmml
tests/sequential.py
Python
mit
4,863
[ "NEURON" ]
03c8d8ffab446f3e7a1776145e9032e5ae01afea5065ddba9632497520601538
#!/usr/bin/env python # # Copyright (c) 2009- Facebook # Distributed under the Thrift Software License # # See accompanying file LICENSE or visit the Thrift site at: # http://developers.facebook.com/thrift/ # """ This script can be used to make the output from facebook::thrift::profile_print_info() more human-readable. It translates each executable file name and address into the corresponding source file name, line number, and function name. By default, it also demangles C++ symbol names. """ import optparse import os import re import subprocess import sys class AddressInfo(object): """ A class to store information about a particular address in an object file. """ def __init__(self, obj_file, address): self.objectFile = obj_file self.address = address self.sourceFile = None self.sourceLine = None self.funtion = None g_addrs_by_filename = {} def get_address(filename, address): """ Retrieve an AddressInfo object for the specified object file and address. Keeps a global list of AddressInfo objects. Two calls to get_address() with the same filename and address will always return the same AddressInfo object. """ global g_addrs_by_filename try: by_address = g_addrs_by_filename[filename] except KeyError: by_address = {} g_addrs_by_filename[filename] = by_address try: addr_info = by_address[address] except KeyError: addr_info = AddressInfo(filename, address) by_address[address] = addr_info return addr_info def translate_file_addresses(filename, addresses, options): """ Use addr2line to look up information for the specified addresses. All of the addresses must belong to the same object file. """ # Do nothing if we can't find the file if not os.path.isfile(filename): return args = ['addr2line'] if options.printFunctions: args.append('-f') args.extend(['-e', filename]) proc = subprocess.Popen(args, stdin=subprocess.PIPE, stdout=subprocess.PIPE) for address in addresses: assert address.objectFile == filename proc.stdin.write(address.address + '\n') if options.printFunctions: function = proc.stdout.readline() function = function.strip() if not function: raise Exception('unexpected EOF from addr2line') address.function = function file_and_line = proc.stdout.readline() file_and_line = file_and_line.strip() if not file_and_line: raise Exception('unexpected EOF from addr2line') idx = file_and_line.rfind(':') if idx < 0: msg = 'expected file and line number from addr2line; got %r' % \ (file_and_line,) msg += '\nfile=%r, address=%r' % (filename, address.address) raise Exception(msg) address.sourceFile = file_and_line[:idx] address.sourceLine = file_and_line[idx+1:] (remaining_out, cmd_err) = proc.communicate() retcode = proc.wait() if retcode != 0: raise subprocess.CalledProcessError(retcode, args) def lookup_addresses(options): """ Look up source file information for all of the addresses currently stored in the global list of AddressInfo objects. """ global g_addrs_by_filename for (file, addresses) in g_addrs_by_filename.items(): translate_file_addresses(file, addresses.values(), options) class Entry(object): """ An entry in the thrift profile output. Contains a header line, and a backtrace. """ def __init__(self, header): self.header = header self.bt = [] def addFrame(self, filename, address): # If libc was able to determine the symbols names, the filename # argument will be of the form <filename>(<function>+<offset>) # So, strip off anything after the last '(' idx = filename.rfind('(') if idx >= 0: filename = filename[:idx] addr = get_address(filename, address) self.bt.append(addr) def write(self, f, options): f.write(self.header) f.write('\n') n = 0 for address in self.bt: f.write(' #%-2d %s:%s\n' % (n, address.sourceFile, address.sourceLine)) n += 1 if options.printFunctions: if address.function: f.write(' %s\n' % (address.function,)) else: f.write(' ??\n') def process_file(in_file, out_file, options): """ Read thrift profile output from the specified input file, and print prettier information on the output file. """ # # A naive approach would be to read the input line by line, # and each time we come to a filename and address, pass it to addr2line # and print the resulting information. Unfortunately, addr2line can be # quite slow, especially with large executables. # # This approach is much faster. We read in all of the input, storing # the addresses in each file that need to be resolved. We then call # addr2line just once for each file. This is much faster than calling # addr2line once per address. # virt_call_regex = re.compile(r'^\s*T_VIRTUAL_CALL: (\d+) calls on (.*):$') gen_prot_regex = re.compile( r'^\s*T_GENERIC_PROTOCOL: (\d+) calls to (.*) with a (.*):$') bt_regex = re.compile(r'^\s*#(\d+)\s*(.*) \[(0x[0-9A-Za-z]+)\]$') # Parse all of the input, and store it as Entry objects entries = [] current_entry = None while True: line = in_file.readline() if not line: break if line == '\n' or line.startswith('Thrift virtual call info:'): continue virt_call_match = virt_call_regex.match(line) if virt_call_match: num_calls = int(virt_call_match.group(1)) type_name = virt_call_match.group(2) if options.cxxfilt: # Type names reported by typeid() are internal names. # By default, c++filt doesn't demangle internal type names. # (Some versions of c++filt have a "-t" option to enable this. # Other versions don't have this argument, but demangle type # names passed as an argument, but not on stdin.) # # If the output is being filtered through c++filt, prepend # "_Z" to the type name to make it look like an external name. type_name = '_Z' + type_name header = 'T_VIRTUAL_CALL: %d calls on "%s"' % \ (num_calls, type_name) if current_entry is not None: entries.append(current_entry) current_entry = Entry(header) continue gen_prot_match = gen_prot_regex.match(line) if gen_prot_match: num_calls = int(gen_prot_match.group(1)) type_name1 = gen_prot_match.group(2) type_name2 = gen_prot_match.group(3) if options.cxxfilt: type_name1 = '_Z' + type_name1 type_name2 = '_Z' + type_name2 header = 'T_GENERIC_PROTOCOL: %d calls to "%s" with a "%s"' % \ (num_calls, type_name1, type_name2) if current_entry is not None: entries.append(current_entry) current_entry = Entry(header) continue bt_match = bt_regex.match(line) if bt_match: if current_entry is None: raise Exception('found backtrace frame before entry header') frame_num = int(bt_match.group(1)) filename = bt_match.group(2) address = bt_match.group(3) current_entry.addFrame(filename, address) continue raise Exception('unexpected line in input: %r' % (line,)) # Add the last entry we were processing to the list if current_entry is not None: entries.append(current_entry) current_entry = None # Look up all of the addresses lookup_addresses(options) # Print out the entries, now that the information has been translated for entry in entries: entry.write(out_file, options) out_file.write('\n') def start_cppfilt(): (read_pipe, write_pipe) = os.pipe() # Fork. Run c++filt in the parent process, # and then continue normal processing in the child. pid = os.fork() if pid == 0: # child os.dup2(write_pipe, sys.stdout.fileno()) os.close(read_pipe) os.close(write_pipe) return else: # parent os.dup2(read_pipe, sys.stdin.fileno()) os.close(read_pipe) os.close(write_pipe) cmd = ['c++filt'] os.execvp(cmd[0], cmd) def main(argv): parser = optparse.OptionParser(usage='%prog [options] [<file>]') parser.add_option('--no-functions', help='Don\'t print function names', dest='printFunctions', action='store_false', default=True) parser.add_option('--no-demangle', help='Don\'t demangle C++ symbol names', dest='cxxfilt', action='store_false', default=True) (options, args) = parser.parse_args(argv[1:]) num_args = len(args) if num_args == 0: in_file = sys.stdin elif num_args == 1: in_file = open(argv[1], 'r') else: parser.print_usage(sys.stderr) print >> sys.stderr, 'trailing arguments: %s' % (' '.join(args[1:],)) return 1 if options.cxxfilt: start_cppfilt() process_file(in_file, sys.stdout, options) if __name__ == '__main__': rc = main(sys.argv) sys.exit(rc)
uber/fbthrift
thrift/contrib/parse_profiling.py
Python
apache-2.0
9,945
[ "VisIt" ]
4677203a7786469940a86d86aef0f755922a53df76ae5f23bb6beab948d812b4
# Copyright (C) 2015, 2016, 2017, 2018 Francisco Favela # This file is part of isonav # isonav 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. # isonav 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 math import * from loadingStuff import * from isoParser import * import sqlite3 conn = sqlite3.connect(isoDatadb) cursor = conn.cursor() #important constant # c=3*10**8 c=299792458 #in m/s cfm=c*10**(15) #in fm/s eCoef=931.4941 #amu to MeV convertion coef hc=1.23984193 #MeV-pm hbc=197.33 #MeV-fm alpha=1/137.036 #fine structure electEMass=0.5109989461 # mass of the electron in MeV N_a=6.022140857e23 #mol^-1, Avogadro constant # cfm=1 #in fm/s #utility functions for nuclear physics reactions def checkDictIso(iso): A,k=getIso(iso) if len(iDict[k][1][A])<=1: return False else: return True def getKey(pNum): if 0<=pNum<len(listStuff): return listStuff[pNum] return False def getPnum(iso): A,k=getIso(iso) if k=="None" or k=="0None": return 0 if k not in listStuff: return False return listStuff.index(k) def getNnum(iso): A,k=getIso(iso) return A-getPnum(k) def getMass(iso): a,key=getIso(iso) return iDict[key][1][a][0] def getNameFromSymbol(s): if s not in nameDict: return False return nameDict[s] def printElemList(): i=0 for e in listStuff: print(i,e) i+=1 ##This functions should be somewhat equivalent to getCoef but I'll leave ##it for now #Center of mass velocity stuff def getVelcm(iso1,iso2,E1): m1=getEMass(iso1) m2=getEMass(iso2) v1=sqrt(2.0*E1/m1)*c v2=0 #assuming it is still Vcm=(1.0*v1*m1+1.0*v2*m2)/(m1+m2) v1p=v1-Vcm v2p=v2-Vcm return v1p,v2p,Vcm def getInEcms(iso1,iso2,E1L): vels=getVelcm(iso1,iso2,E1L) mE1=getEMass(iso1) mE2=getEMass(iso2) #Alternative way # mu=mE1*mE2/(mE1+mE2) # rVel=vels[0]-vels[1] # print 1.0/2.0*mu*rVel**2 E1cm=0.5*(vels[0]/c)**2*mE1 E2cm=0.5*(vels[1]/c)**2*mE2 inEcmAvail=E1cm+E2cm inEcmSys=0.5*(vels[2]/c)**2*(mE1+mE2) return E1cm,E2cm,inEcmAvail,inEcmSys def getOutEcms(iso1,iso2,isoE,isoR,E1L,exE): E1cm,E2cm,inEcmAvail,inEcmSys=getInEcms(iso1,iso2,E1L) mE1=getEMass(iso1) mE2=getEMass(iso2) mEE=getEMass(isoE) mER=getEMass(isoR) inMass=mE1+mE2 outMass=mEE+mER outEcmSys=inEcmSys*(inMass/outMass) Q=getQVal(mE1,mE2,mEE,mER) outEcmAvail=inEcmSys*(1.0-1.0*(inMass/outMass))+inEcmAvail+Q-exE if outEcmAvail < 0: return -1,-1,-1,-1 EEcm,ERcm=getEcmsFromECM2(mEE,mER,outEcmAvail) return EEcm,ERcm,outEcmAvail,outEcmSys def getEcmsFromECM(iso1,iso2,ECM): #For example, in a decay ECM=Q m1=getEMass(iso1) m2=getEMass(iso2) mu=1.0*m1*m2/(m1+m2) P=sqrt(2.0*mu*ECM)/c E1=0.5*(P*c)**2/m1 E2=0.5*(P*c)**2/m2 return E1,E2 def getEcmsFromECM2(m1,m2,ECM): #For example, in a decay ECM=Q # m1=getEMass(iso1) # m2=getEMass(iso2) mu=1.0*m1*m2/(m1+m2) P=sqrt(2.0*mu*ECM)/c E1=0.5*(P*c)**2/m1 E2=0.5*(P*c)**2/m2 return E1,E2 def getAvailEnergy(iso1,iso2,isoEject,isoRes,E1L,E2L=0): E1cm,E2cm,inEcmAvail,EcmSys=getInEcms(iso1,iso2,E1L) Q=getIsoQVal(iso1,iso2,isoEject,isoRes) return inEcmAvail+Q #Just for testing def getAllVs(iso1,iso2,isoE,isoR,E1L): v1cm,v2cm,Vcm=getVelcm(iso1,iso2,E1L) EcmAvail=getAvailEnergy(iso1,iso2,isoE,isoR,E1L) ejectE,resE=getEcmsFromECM(isoE,isoR,EcmAvail) print(ejectE,resE) vE=sqrt(2.0*ejectE/getEMass(isoE))*c vR=sqrt(2.0*resE/getEMass(isoR))*c ############################################ def checkIsoExistence(iso1,iso2): a1,key1=getIso(iso1) a2,key2=getIso(iso2) if key1 not in iDict or key2 not in iDict: print("Error: keys have to be in the dictionary") return False if a1 not in iDict[key1][1] or a2 not in iDict[key2][1]: print("Error: isotopes have to exist") return False return True def checkIsoExist1(iso): a,key=getIso(iso) if key not in iDict: # print "Error: keys have to be in the dictionary" return False return True def nRadius(iso): #In fermis A,k=getIso(iso) return 1.2*A**(1.0/3.0) def mirror(iso): # if not checkDictIso(e,a): # return False pNumber=getNnum(iso) nNumber=getPnum(iso) ma=pNumber+nNumber mE=getKey(pNumber) isoM=str(ma)+str(mE) return isoM def coulombE(iso1,iso2): z1=getPnum(iso1) z2=getPnum(iso2) rMin=nRadius(iso1)+nRadius(iso2) return z1*z2*alpha*hbc/rMin def thresholdE(iso1,iso2,iso3,iso4): mp=getMass(iso1) mt=getMass(iso2) mE=getMass(iso3) mR=getMass(iso4) Q=getQVal(mp,mt,mE,mR)*eCoef if Q<=0: Ethres=-Q*(mR+mE)/(mR+mE-mp) else: Ethres=0 return Ethres def reaction(iso1,iso2, Ex=0.0): #Think about meoizing a1,key1=getIso(iso1) a2,key2=getIso(iso2) isoExist=checkIsoExistence(iso1,iso2) amuEx=Ex/eCoef if not isoExist or isoExist=="Decay": return False aTot=a1+a2 pTot=getPnum(key1)+getPnum(key2) nTot=aTot-pTot aRes=aTot pRes=pTot aEject=0 pEject=0 aVal=aTot pVal=pTot initialMass=getMass(iso1)+getMass(iso2)+amuEx reactionList=[] rKey=getKey(pRes) eKey='None' maxLoop=1000#More than this and it should return iterator=0 while True: if iterator>maxLoop: return reactionList iterator+=1 #If dict loaded don't worry about this for now if not (rKey and eKey): pRes-=1 pEject+=1 continue #Ending of ignore block if aRes in iDict[rKey][1] and aEject in iDict[eKey][1]: #Maybe use getMass or getQval here? finalMass=iDict[eKey][1][aEject][0]+iDict[rKey][1][aRes][0] Q=(initialMass-finalMass)*eCoef ejectIso=str(aEject)+eKey resIso=str(aRes)+rKey if 'None' in [key1,key2,eKey,rKey]: Ethres='None' else: Ethres=thresholdE(iso1,iso2,ejectIso,resIso) #Getting rid o the annoying -0.0, there must be a better way if Ethres==0: Ethres=0.0 newVal=[ejectIso,resIso,Ethres,Q] newValP=[resIso,ejectIso,Ethres,Q]#Avoiding repetition # if newVal not in reactionList and newValP not in reactionList: fList=[v[0] for v in reactionList] slist=[v[1] for v in reactionList] if ejectIso not in fList and ejectIso not in slist: reactionList.append(newVal) aRes-=1 aEject+=1 else: pRes-=1 pEject+=1 rKey=getKey(pRes) eKey=getKey(pEject) aRes=aTot-pEject aEject=pEject if not (rKey and eKey): #It appears to happen in big vs big nuclei continue while aRes not in iDict[rKey][1] or aEject not in iDict[eKey][1]: if pRes<=pTot/2-1: return reactionList rKey=getKey(pRes) eKey=getKey(pEject) aRes-=1 aEject+=1 if iterator>maxLoop: return reactionList iterator+=1 rKey=getKey(pRes) eKey=getKey(pEject) def nReaction(iso1,iso2,Ex=0.0): ls=reaction(iso1,iso2,Ex=Ex) if ls==[]: print("Nuclei might be too big") if ls==False: print("An error ocurred") return False #Sort the list elements in terms of their #Q value ls.sort(key=lambda x: x[3],reverse=True) return ls #Not yet perfect #Not any beta decays def QDecay(iso1,Ex=0.0): decayCand=nReaction(iso1,'0None',Ex=Ex) if decayCand==False: return False decays=[val[0:2]+[val[3]] for val in decayCand if val[3]>0] ndec=[] for d in decays: if d[0] == '0None' or d[1] == '0None': continue E1cm,E2cm=getEcmsFromECM(d[0],d[1],d[2]) d=[d[0],d[1],E1cm,E2cm,d[2]] ndec.append(d) return ndec #Not very elegant for now (Calls QDecay) But it was a quick and easy #solution ;) For proton and neutron emission do emit="1H" or emit="1n" #Note: only for the base state for now. def emitDecay(iso,emit="4He"): qDecList=QDecay(iso) for e in qDecList: if emit in e[0:2]: return e #This is the more careful solution### def emitDecay2(iso,emit="4He",num=1): newIso=getNewIso(iso,emit,num) if not newIso: return False QVal=emitDecayQVal(iso,emit,num) if not QVal or QVal<0: return False nEmit=str(num)+"("+emit+")" return [nEmit,newIso,QVal] def emitDecayQVal(iso,emit="4He",num=1): newIso=getNewIso(iso,emit,num) if not newIso: return False isoEMass=getEMass(iso) if not isoEMass: return False emitEMass=getEMass(emit) if not emitEMass: return False newIsoEMass=getEMass(newIso) if not newIsoEMass: return False QVal=getQVal(isoEMass,0,newIsoEMass,emitEMass*num) return QVal def getNewIso(iso,emit="4He",num=1): isoN=getNnum(iso) isoP=getPnum(iso) emitN=getNnum(emit) emitP=getPnum(emit) newIsoN=isoN-emitN*num newIsoP=isoP-emitP*num #Still not sure about this condition, maybe neutron condition can be #loosened, check special cases such as deuteron if newIsoP<=0 or newIsoP<=0: return False newA=newIsoP+newIsoN newKey=getKey(newIsoP) if not newKey: return False newIso=str(newA)+newKey if not checkIsoExist1(newIso): return False return newIso #Still working on this # #Given an isotope, the ejectile nucleus, the Daughter and the available # #energy (in CM, not Q), it returns all the possible combinations of # #excitation modes. # def xDecay(iso,isoE,isoD,ECM=0): # if iso != getCompound(isoE,isoD): # return False # exList=[0,0,0,0] # Q=getIsoQVal(iso,"0None",isoE,isoD,exList) # Eavail=ECM+Q # levsE=getPopLevels(isoE,Eavail) # levsD=getPopLevels(isoR,Eavail) #Prints out all the possible neg Q's def QStable(iso1): a1,key1=getIso(iso1) decayCand=nReaction(iso1,'0None') if decayCand==False: return False decays=[val for val in decayCand if val[3]<0] return decays def checkReaction(iso1,iso2,isoEject,isoRes): a1,key1=getIso(iso1) a2,key2=getIso(iso2) aEject,eject=getIso(isoEject) aRes,res=getIso(isoRes) #Making sure that the cases 'n' are '1n' 'p' is '1H' etc if eject==None or res==None: print("Reaction is invalid") return False isoEject=str(aEject)+eject isoRes=str(aRes)+res if not checkIsoExistence(iso1,iso2): print("Entered first cond") return False if not checkIsoExistence(isoEject,isoRes): print("Entered second cond") return False reactionStuffa=[eject,aEject,res,aRes] reactionStuffb=[res,aRes,eject,aEject] reactionStuffa=[isoEject,isoRes] reactionStuffb=[isoRes,isoEject] retList=nReaction(iso1,iso2) for ret in retList: #Excluding the threshold and the QValue if reactionStuffa==ret[:2] or reactionStuffb==ret[:2]: return ret print("Reaction is invalid") return False def sReaction(iso1,iso2,isoEject,isoRes,ELab=2.9,ang=30,exList=[0,0,0,0]): a1,key1=getIso(iso1) a2,key2=getIso(iso2) aEject,eject=getIso(isoEject) aRes,res=getIso(isoRes) react=checkReaction(iso1,iso2,isoEject,isoRes) if not checkArguments(ELab,react,eject,res): return False s1=analyticSol(iso1,iso2,isoEject,isoRes,ELab,angle=ang,exList=exList) s2=analyticSol(iso1,iso2,isoRes,isoEject,ELab,angle=ang,exList=exList) solution=[s1,s2] return solution #This is now deprecated def checkSecSol(emp,emt,emE,emR,ELab): Q=getQVal(emp,emt,emE,emR) if Q<0: Ethres=-Q*(emR+emE)/(emR+emE-emp) Emax=-Q*emR/(emR-emp) print("Ethres,Emax") print(Ethres,Emax) if Ethres<ELab<Emax: print("Possible second solution") thetaM=acos(sqrt(-(emR+emE)*(emR*Q+(emR-emp)*ELab)/(emp*emE*ELab))) return thetaM return False #This is now deprecated def solveNum(ang,vE,vR,Vcm,isoE,isoR,exList=[0,0,0,0]): emE=getEMass(isoE)+exList[2] emR=getEMass(isoR)+exList[3] thEject=0 dTh=0.2 ang=radians(ang) if ang>pi/2: ang-=pi tolerance=0.0001 while True: thEject+=dTh vEy=vE*sin(thEject) vEz=vE*cos(thEject) vRy=vR*sin(pi-thEject) vRz=vR*cos(pi-thEject) #They actually have to be zero ### deltaPy=(vEy*emE-vRy*emR)*1.0/c**2 ### deltaPz=(vEz*emE+vRz*emR)*1.0/c**2 # print deltaPy,deltaPz if (vEz+Vcm)==0 or (vRz+Vcm)==0: print("No solution was found, div by zero") print("#####################################################") return False thEjectLab=atan(1.0*vEy/(vEz+Vcm)) ELabEject=emE*(1.0*vEy**2+(vEz+Vcm)**2)/(2*c**2) theResLab=atan(1.0*vRy/(vRz+Vcm)) ELabResid=emR*(1.0*vRy**2+(vRz+Vcm)**2)/(2*c**2) diff=ang-thEjectLab if abs(diff)<tolerance: break if dTh>0 and diff<0 or dTh<0 and diff>0: dTh *= -1.0/2 if thEject>=pi: # print "No solution was found" # print "#####################################################" return False return [degrees(thEjectLab),ELabEject,degrees(theResLab),\ ELabResid] def xTremeTest(iso1,iso2,E=10,ang=30): reactions=nReaction(iso1,iso2) l=[] for e in reactions: if 'None' in e: continue isoEject=e[0] isoRes=e[1] react1,react2=sReaction(iso1,iso2,isoEject,isoRes,E,ang) if react1[0]==[False,False,False,False]: break firstSols=[react1[0],react2[0]] secSols=[react1[1],react2[1]] l.append([e,firstSols,secSols]) return l #returns the corresponding fused element, along with the max populated #level and the corresponding remaining energy def fussionCase(iso1,iso2,E1L,E2L=0): isof=getCompound(iso1,iso2) if isof==False: return False Q=getIsoQVal(iso1,iso2,"0None",isof) E1cm,E2cm,Ecm,EcmSys=getInEcms(iso1,iso2,E1L) ETotcm=Q+Ecm maxLev,maxLE=getCorrespLevE(isof,ETotcm) rKEcm=ETotcm-maxLE #residual KE vDump,vDump,Vcm=getVcms(iso1,iso2,iso1,iso2,E1L) EcmSys=0.5*(Vcm/c)**2*(getEMass(iso1)+getEMass(iso2)) rKE=rKEcm+EcmSys return isof,maxLev,maxLE,rKE def getCompound(iso1,iso2): a1,k1=getIso(iso1) a2,k2=getIso(iso2) p1=getPnum(iso1) p2=getPnum(iso2) pf=p1+p2 af=a1+a2 kf=getKey(pf) if kf==False: return False isof=str(af)+kf if getPnum(isof): return isof return False def getCorrespLevE(iso,E): aVal,eName=getIso(iso) getMoreData(iso) if not checkDictIso(iso): return False lev,lEMax=0,0 for e in iDict[eName][1][aVal][1]: lE=iDict[eName][1][aVal][1][e][0] if lE >= E: lev,lEMax=e-1,iDict[eName][1][aVal][1][e-1][0] break if E>0 and lev==0: print("#Energy over max level in db") lev,lEMax=e,iDict[eName][1][aVal][1][e][0] return lev,lEMax def getLevelE(iso1,level): A,k=getIso(iso1) getMoreData(iso1) if not checkDictIso(iso1): return 0 return iDict[k][1][A][1][level][0] def getAllLevels(iso): A,k=getIso(iso) getMoreData(iso) if not checkDictIso(iso): return 0 lList=[] for level in iDict[k][1][A][1]: lList.append([level,iDict[k][1][A][1][level][0]]) return lList def getPopLevels(iso1,aE): levels=[] iso,eName=getIso(iso1) getMoreData(iso1) if not checkDictIso(iso1): return [1] for e in iDict[eName][1][iso][1]: lE=iDict[eName][1][iso][1][e][0] if lE>aE: return levels levels.append([e,lE]) return levels #If the excitation data is needed then this loads it. def getMoreData(iso,xFile=None): #Careful with neutrons and Nones A,k=getIso(iso) levDict={} if len(iDict[k][1][A])<2: if xFile == None: t=(iso,) cursor.execute('SELECT levNum,xEnergy,extra FROM isoLevels WHERE iso=?', t) #Creating subDictionary for exData in cursor.fetchall(): if int(exData[0]) not in levDict: levDict[exData[0]]=[float(exData[1]),myString2List(exData[2])] #print("Debug in getMoreData",levDict[exData[0]]) iDict[k][1][A].append(levDict) else: with open(xFile) as myFileObj: lineLst=myFileObj.readlines() for a,b in zip(lineLst,range(len(lineLst))): levDict[b+1]=[float(a),[]] iDict[k][1][A].append(levDict) #This is now deprecated def getCoef(iso1,iso2,isoE,isoR,ELab,exList=[0,0,0,0]): emp,emt,emE,emR=getAllEMasses(iso1,iso2,isoE,isoR,exList) Q=getQVal(emp,emt,emE,emR) # Pi=sqrt(2*emp*ELab)/c # Vcm=Pi*c**2/(emp+emt) # EcmSys=(Pi*c)**2/(2.0*(emp+emt)) v1=sqrt(2.0*ELab/emp)*c v2=0 #For future improvement Vcm=(1.0*emp*v1+1.0*emt*v2)/(emp+emt) EcmSys=0.5*(Vcm/c)**2*(emp+emt) #Available E in b4 collision Edisp=ELab-EcmSys Ef=Edisp+Q if Ef<0: print("Inside getCoef Ef = ", Ef) print("Not enough energy for reaction") return False,False,Vcm,Ef #Final momentum, in cm. muf=1.0*emE*emR/(emE+emR) Pf=sqrt(2.0*Ef*muf)/c vE=1.0*Pf*c**2/emE vR=1.0*Pf*c**2/emR return vE,vR,Vcm,Ef def getEMass(iso1): if iso1 == "n": iso1="1n" A,k=getIso(iso1) vals=[i[0] for i in getIsotopes(iso1)] vals.append("p") vals.append("d") vals.append("t") vals.append("a") if iso1 not in vals: return False return iDict[k][1][A][0]*eCoef #Still work to be done, assuming the nucleus only gets increased mass #when the reaction occurs (no fission or gammas for now) def exLevReact(ang,iso1,iso2,isoEject,isoRes,E1L,E2L,eVal=1): if eVal==1: isoEX1=isoRes else: isoEX1=isoEject Edisp=getAvailEnergy(iso1,iso2,isoEject,isoRes,E1L,E2L) popLevels=getPopLevels(isoEX1,Edisp) if len(popLevels)<=1: popLevels=[[1,0.0]] levList=[] #For sending the mass excitations into getCoef exList=[0,0,0,0] for e in popLevels: # print e if e[1] == False and e[0] != 1: #print("#Entered false for e[1] en exLevReact") continue if eVal==1: exList[3]=e[1] else: exList[2]=e[1] # numSol=getEsAndAngs(ang,iso1,iso2,isoEject,isoRes,ELab,E2L=0,\ # exList=exList) numSol1,numSol2=analyticSol(iso1,iso2,isoEject,isoRes,\ E1L,E2L,angle=ang,exList=exList) if numSol1[0]==False: break levList.append([e,[numSol1,numSol2]]) return levList def getQVal(m1,m2,m3,m4): Q=(m1+m2-m3-m4) return Q def getIsoQVal(iso1,iso2,iso3,iso4,exList=[0,0,0,0]): if not checkReaction(iso1,iso2,iso3,iso4): return False m1=getEMass(iso1)+exList[0]#Adding mass excitations m2=getEMass(iso2)+exList[1] m3=getEMass(iso3)+exList[2] m4=getEMass(iso4)+exList[3] Q=(m1+m2-m3-m4) return Q def getIsoQValAMU(iso1,iso2,iso3,iso4): return getIsoQVal(iso1,iso2,iso3,iso4)/eCoef def iso2String(k,iso,eVal=''): return eVal+str(iso)+k def xReaction(iso1,iso2,isoEject,isoRes,ELab=2.9,ang=30,xf1=None,xf2=None): a1,key1=getIso(iso1) a2,key2=getIso(iso2) aEject,eject=getIso(isoEject) aRes,res=getIso(isoRes) react=checkReaction(iso1,iso2,isoEject,isoRes) if not checkArguments(ELab,react,eject,res): return False Q=react[3] # vE,vR,Vcm,Ef=getCoef(iso1,iso2,isoEject,isoRes,ELab) # if vE==False: # return False lL=[] E1L=ELab #For now E2L=0 E2L=0 if xf1 != None: getMoreData(isoEject,xf1) if xf2 != None: getMoreData(isoRes,xf2) c=[iso2String(eject,aEject,'*'),iso2String(res,aRes,'')] # lL.append([c,exLevReact(ang,iso1,iso2,isoEject,isoRes,ELab,Ef,0)]) exL1=exLevReact(ang,iso1,iso2,isoEject,isoRes,E1L,E2L,0) # exL1=[[val[0],val[1][0]] for val in exL1L] lL.append([c,exL1]) c=[iso2String(eject,aEject,''),iso2String(res,aRes,'*')] # lL.append([c,exLevReact(ang,iso1,iso2,isoEject,isoRes,ELab,Ef,1)]) exL2=exLevReact(ang,iso1,iso2,isoEject,isoRes,E1L,E2L,1) # exL2=[[val[0],val[1][0]] for val in exL2L] lL.append([c,exL2]) c=[iso2String(res,aRes,'*'),iso2String(eject,aEject,'')] # lL.append([c,exLevReact(ang,iso1,iso2,isoRes,isoEject,ELab,Ef,0)]) exL3=exLevReact(ang,iso1,iso2,isoRes,isoEject,E1L,E2L,0) # exL3=[[val[0],val[1][0]] for val in exL3L] lL.append([c,exL3]) c=[iso2String(res,aRes,''),iso2String(eject,aEject,'*')] # lL.append([c,exLevReact(ang,iso1,iso2,isoRes,isoEject,ELab,Ef,1)]) exL4=exLevReact(ang,iso1,iso2,isoRes,isoEject,E1L,E2L,1) # exL4=[[val[0],val[1][0]] for val in exL4L] lL.append([c,exL4]) return lL def xXTremeTest(iso1,iso2,E=10,ang=30): reactions=nReaction(iso1,iso2) rStuff=[] for e in reactions: if 'None' in e: continue isoEject=e[0] isoRes=e[1] reactL=xReaction(iso1,iso2,isoEject,isoRes,E,ang) react=[] for lr in reactL: exitReact=lr[0] for info in lr[1:]: firstSolEs=[[val[0],val[1][0]] for val in info] secSol=[[val[0],val[1][1]] for val in info] react.append([exitReact,firstSolEs,secSol]) #Is this meaningful? if react==False: break rStuff.append([e,react]) return rStuff def checkArguments(ELab,react,eject,res): if ELab<=0: print("Lab energy has to be positive") return False if not react: return False if eject=='None' or res=='None': print("Reaction must have at least 2 final elements") return False return True def getAllEMasses(iso1,iso2,isoEject,isoRes,exList=[0,0,0,0]): emp=getEMass(iso1) emt=getEMass(iso2) emE=getEMass(isoEject) emR=getEMass(isoRes) emp+=exList[0] emt+=exList[1] emE+=exList[2] emR+=exList[3] return emp,emt,emE,emR #Given an energy, beam energy, angle, a list of reactions and a #tolerance it returns values to hint where it might be from def fReact(E,bE,angle,rList,tol=140): for iR in rList: print("######################") print(iR) print("######################") #Need to be upgraded for second sol from xXtremeTest XXList=xXTremeTest(iR[0],iR[1],bE,angle) # pXXTremeTest(XXList) pFReact(E,tol,XXList) def pFReact(E,tol,XXList): for e in XXList: for ee in e[1]: for states in ee[1]: if states[1]==False: continue if abs(states[1][1]-E)<=tol: print(e[0],ee[0],states) def findOE(Eang,ang,iso1,iso2): E=Eang Emax=2.0*Eang dE=0.01 tolerance=0.00001 while True: sRList=sReaction(iso1,iso2,iso1,iso2,E,ang) sR=sRList[0] diff=Eang-sR[0][1] if abs(diff)<tolerance: break if dE>0 and diff<0 or dE<0 and diff>0: dE*=-1.0/2 if E>Emax: return False E+=dE return E #It prints the CS in mb def rutherford0(iso1,iso2,Ecm,theta): theta=radians(theta) z1=getPnum(iso1) z2=getPnum(iso2) dSigma=(z1*z2*alpha*hbc/(4*Ecm))**2/sin(theta/2)**4 # converting to mb dSigma*=10 return dSigma def rutherfordLab0(iso1,iso2,ELab,thetaL): """ Returns the rutherford value in the lab frame""" Ecm=getInEcms(iso1,iso2,ELab)[2] #Taking the 3rd argument K=getMass(iso1)/getMass(iso2) #see m. cottereau and f. lefebvres recuel de problemes... thetaCM=solveAng(thetaL,K) dSigmaL=rutherford0(iso1,iso2,Ecm,thetaCM)*\ (1+K**2+2*K*cos(thetaCM))**(3.0/2.0)/(1+K*cos(thetaCM)) return dSigmaL def solveAng(thetaL,ratio,direction="f"): """ Returns the CM angle """ thetaL=radians(thetaL) tgThetaL=tan(thetaL) #"f" is for forward sol "b" for backward sol if direction=="f": thetaCM=0 dTh=0.05 sign=1 else: thetaCM=pi dTh=-0.05 sign=-1 def myFunct(thetaCM,ratio): return sin(thetaCM)/(cos(thetaCM)+ratio) tolerance=0.0001 # i=0 while True: fVal=myFunct(thetaCM,ratio) # if i>=20: # break # print "fVal is:",fVal # i+=1 diff=sign*(tgThetaL-fVal) if abs(diff)<tolerance: break if dTh>0 and diff<0 or dTh<0 and diff>0: dTh *= -1.0/2 # print "Sign switch" if sign==1 and thetaCM>=pi or sign==-1 and thetaCM<0: # print "No solution was found" return False thetaCM+=dTh thetaL=degrees(atan(fVal)) return degrees(thetaCM) def getAngs(iso1,iso2,isoE,isoR,E1L,exList,thetaL): vE,vR,Vcm,Ef=getCoef(iso1,iso2,isoE,isoR,E1L,exList) r=1.0*vE/Vcm ratio=1.0/r thetaCMf=solveAng(thetaL,ratio,"f") # For excited states it stays in this function #Commenting it for now # thetaCMb=solveAng(thetaL,ratio,"b") thetaCMb=False #No need to convert to radians in this case return thetaCMf,thetaCMb #This is now deprecated def getEsAndAngs(iso1,iso2,isoE,isoR,E1L,E2L=0,thetaL=0,\ exList=[0,0,0,0],direction="f"): angMax=getMaxAng(iso1,iso2,isoE,isoR,E1L,E2L,exList)[0] #Keeping angles in degrees if thetaL>angMax: print("Angle is too big, no solution found") return [False,False,False,False] #Getting the coefficients vE,vR,Vcm,Ef=getCoef(iso1,iso2,isoE,isoR,E1L,exList) #Getting the CM angles angs=getAngs(iso1,iso2,isoE,isoR,E1L,exList,thetaL) if direction=="f": thEjectCM=angs[0] else: thEjectCM=angs[1] thEjectCM=radians(thEjectCM) theResCM=pi-thEjectCM emE=getEMass(isoE)+exList[2] emR=getEMass(isoR)+exList[3] vEy=vE*sin(thEjectCM) vEz=vE*cos(thEjectCM) vRy=vR*sin(theResCM) vRz=vR*cos(theResCM) thEjectLab=atan(vEy/(vEz+Vcm)) ELabEject=emE*(vEy**2+(vEz+Vcm)**2)/(2*c**2) theResLab=atan(vRy/(vRz+Vcm)) ELabResid=emR*(vRy**2+(vRz+Vcm)**2)/(2*c**2) return [degrees(thEjectLab),ELabEject,degrees(theResLab),\ ELabResid] def getMaxAng(iso1,iso2,isoE,isoR,E1L,E2L=0,exList=[0,0,0,0]): emp,emt,emE,emR=getAllEMasses(iso1,iso2,isoE,isoR,exList) # v1=sqrt(2.0*E1L/emp) # v2=0 #Zero for now vE,vR,Vcm,Ef=getCoef(iso1,iso2,isoE,isoR,E1L,exList) if vE==False: print("Not enough energy to get angle") return False r1=1.0*vE/Vcm r2=1.0*vR/Vcm if r1>=1: maxAng1=pi else: maxAng1=atan2(r1,sqrt(1.0-r1**2)) if r2>=1: maxAng2=pi else: maxAng2=atan2(r2,sqrt(1.0-r2**2)) return [degrees(maxAng1),degrees(maxAng2)] def nEvents(Ni,aDens,dSigma,dOmega): return Ni*aDens*dSigma*dOmega def getdOmega(r,R): return pi*(r/R)**2 #Converts current into # of charges def current2Part(current): C=6.2415093E18 return C*current*10**(-6) #Gets the product of #Projectiles*#Targets #in part/mb def getT(ps,ts,E,angle,Nr,dOmega): return 1.0*Nr/(rutherfordLab0(ps,ts,E,angle)*dOmega) def getdSigma(Nn,dOmega,T): return 1.0*Nn/(dOmega*T) def getdSigma2(pIso,tIso,Nruth,Nnucl,ELab,angle): return 1.0*Nnucl/Nruth*rutherfordLab0(pIso,tIso,ELab,angle) #Returns density in part/cm**2, T increases with time as well as nPart #so time cancels out, just put the average current, and remember that #there are 5mm collimators and that not all of the original beam gets to #the jet. def getDensityIncmSquare(T,current): #Current in micro Amperes nPart=current2Part(current) mBarn2cm2=1E-27 return T/(mBarn2cm2*nPart) #Binding Energy def getBE(iso): # iso=str(A)+s A,k=getIso(iso) z=getPnum(iso) em=getEMass(iso) #proton mass pm=getEMass("1H") #neutron mass nm=getEMass("1n") return em-z*pm-(A-z)*nm #Binding Energy per nucleon def getBEperNucleon(iso): A,k=getIso(iso) return 1.0*getBE(iso)/A #Using the liquid drop model for the binding energy #Values taken from A. Das and T. Ferbel book def getLDBE(iso,a1=15.6,a2=16.8,a3=0.72,a4=23.3,a5=34): #All the coefficients are in MeV A,s=getIso(iso) Z=getPnum(s) N=getNnum(iso) if N%2==0 and Z%2==0:#Even even case a5*=-1 #Greater stability elif (A%2)==1:#Odd even case a5=0 BE=-a1*A+a2*A**(2.0/3.0)+a3*Z**2/A**(1.0/3.0)+a4*(N-Z)**2/A+a5*A**(-3.0/4.0) return BE #Binding energy per nucleon using LD def getLDBEperNucleon(iso): A,s=getIso(iso) return 1.0*getLDBE(iso)/A #Using the LD model to get the eMass def getLDEMass(iso): A,s=getIso(iso) Z=getPnum(iso) #proton mass pm=getEMass("1H") #neutron mass nm=getEMass("n") return Z*pm+(A-Z)*nm+getLDBE(iso) #Using the LD model to get the mass def getLDMass(iso): return 1.0*getLDEMass(iso)/eCoef #de Broglie wavelength in angstrom def deBroglie(iso,E): # iso=str(A)+element em=getEMass(iso) p=sqrt(2.0*em*E) #a "c" from here goes to the hc return hc/p/100 # 1/100 to convert to angstrom #reduced de Broglie wavelength in angstrom def reducedDeBroglie(iso,E): return deBroglie(iso,E)/(2.0*pi) #Compton wavelength def comptonW(iso): em=getEMass(iso) return hc/em*1000 #*1000 to convert to fm #Reduced Compton wavelength def rComptonW(iso): em=getEMass(iso) return hbc/em #Hard sphere classical total CS #All this was taken from Griffiths def hardSphereCTCS(iso): a=nRadius(iso) return pi*a**2/100 #1/100 barn conversion. #Hard sphere quantum total CS #Note; this is an approximation from an expansion. def hardSphereQTCS(iso): a=nRadius(iso) return 4*pi*a**2/100 #1/100 barn conversion. #soft sphere differential CS def softSphereDCS(isop,isot,V0=50): a=nRadius(isot) # iso=str(ap)+sp em=getEMass(isop) return (2*em*V0*a**3/(3*hbc**2))**2 #soft sphere total CS def softSphereTCS(isop,isot,V0=50): return 4*pi*softSphereDCS(isop,isot,V0) #soft sphere using the second Born approximation def softSphereDSBorn(isop,isot,V0=50): a=nRadius(isot) # iso=str(ap)+sp em=getEMass(isop) firstC=2*em*V0*a**3/(3*hbc**2) secondC=1-4*em*V0*a**2/(5*hbc**2) return (firstC*secondC)**2 #soft sphere using the second Born approximation for total CS def softSphereTSBorn(isop,isot,V0=50): return 4*pi*softSphereDSBorn(isop,isot,V0) #Using the Yukawa potential def yukawaDCS(isop,isot,E,theta,beta,mu): # iso=str(ap)+sp eMass=getEMass(isop) theta=radians(theta) k=sqrt(2*eMass*E/hbc) kappa=2*k*sin(theta/2) return (-2*eMass*beta/(hbc**2*(mu**2+kappa**2)))**2 #Getting the total CS for the Yukawa potential, Griffiths 11.12 Note; #this is still in testing def yukawaTCS(isop,isot,E,theta,beta,mu): # iso=str(ap)+sp eMass=getEMass(isop) theta=radians(theta) k=sqrt(2*eMass*E/hbc) kappa=2*k*sin(theta/2) return pi*(4*eMass*beta/(mu*hbc))**2/((mu*kappa)**2+8*eMass*E) #Using krane pg 248 eq 8.72 def getTAlpha(radIso): A,k=getIso(radIso) daughterIso=str(A-4)+getKey(getPnum(k)-2) # print daughterIso Q=getIsoQVal('0None',radIso,'4He',daughterIso) TAlpha=Q*(1.0-4.0/A) return TAlpha #Using gamow factor according to krane eq. 8.17 def gamowAlpha(iso1): isoEject="4He" # a1,s1=getIso(iso1) # aEject,sEject=getIso(isoEject) decay=findDecay(iso1,isoEject) if decay != 'None': Q=decay[2] else: return 'None' B=getB(iso1,isoEject) em=getEMass(isoEject) #Most probably alpha part mass z1=getPnum(iso1) z2=getPnum(isoEject) x=1.0*Q/B #Both equations should give the same... but they don't!! #See Krane pg 253, eq. 8.16 G=sqrt(2*em/Q)*alpha*z1*z2*(pi/2-2*sqrt(x)) # G=sqrt(2*em/Q)*alpha*z1*z2*(acos(x)-sqrt(x*(1-x))) return G #Gets the half life using the Gamow factor. It sometimes matches #experimental vals and sometimes it is way off! TODO; add the option to #change the QVal for example. Also include the hbc*l*(l+1)/emR**2 in the #energy. And the possibility to change V0. def gamowHL(iso1): isoEject="4He" a1,s1=getIso(iso1) decay=findDecay(iso1,isoEject) # Q=6 if decay != 'None': Q=decay[2] else: return 'None' ln2=0.693 a=nRadius(iso1) V0=35 #50 em=getEMass(iso1) G=gamowAlpha(iso1) tHalf=ln2*a/cfm*sqrt(em/(V0+Q))*e**(2*G) return tHalf def findDecay(iso1,ejectIso): rList=QDecay(iso1) # aEject,sEject=getIso(ejectIso) # for e in rList: # if sEject==e[0] and aEject==e[1]: # return e for e in rList: if ejectIso in e: return e #Take care of this case return 'None' #For alpha decay is the barrier penetration energy for decay (in MeV), #normally alpha def getB(iso1,isoEject): a=nRadius(iso1) z1=getPnum(iso1) z2=getPnum(isoEject) return alpha*hbc*z1*z2/a #This is still in testing def stoppingPowerD(iso1,iso2,E,I): z1=getPnum(iso1) z2=getPnum(iso2) A=getMass(iso2) #In MeV/cm return -z1**2*z2*log(2195*E/I)/(A*E) #This is also still in testing def stoppingPowerI(iso1,iso2,E,I,L): #L in microns (10**-4 cm) x=0 L=L*10**(-4) dx=L/10 while x<L or E<=0: E+=stoppingPowerD(iso1,iso2,E,I)*dx x+=dx return E ######################################################################### ###### Testing analytic ################################################# ######################################################################### #def getVcms(v1L,v2L,m1,m2): def getVcms(iso1,iso2,isoEject,isoRes,E1L,E2L=0,exList=[0,0,0,0]): mE=getEMass(isoEject) mR=getEMass(isoRes) exE=exList[2]+exList[3] EEcm,ERcm,outEcmAvail,outEcmSys=getOutEcms(iso1,iso2,isoEject,isoRes,E1L,exE) if outEcmAvail<=0: return False,False,False outVcmSys=sqrt(2.0*outEcmSys/(mE+mR))*c if outEcmAvail<=0: return False,False,False # print "E1cm,E2cm,Ecm = ",E1cm,E2cm,Ecm vEcm,vRcm=getVcmsFromEcm(isoEject,isoRes,outEcmAvail) # print "v1cm,v2cm",v1cm,v2cm # print "vEcm,vRcm",vEcm,vRcm return vEcm,vRcm,outVcmSys def getVcmsFromEcm(iso1,iso2,Ecm): m1=getEMass(iso1) m2=getEMass(iso2) if Ecm<=0: return False,False v1cm=sqrt(2.0*Ecm/(m1*(1+1.0*m1/m2)))*c v2cm=(1.0*m1)/m2*v1cm return v1cm,v2cm def getEFromV(iso,v,xMass=0): m=getEMass(iso)+xMass return 0.5*m*(v/c)**2 #Testing the non numeric solution def analyticSol(iso1,iso2,isoEject,isoRes,E1L,E2L=0,angle=0,exList=[0,0,0,0]): vEcm,vRcm,Vcm=getVcms(iso1,iso2,isoEject,isoRes,E1L,E2L,exList)#the inEmcs if vEcm == False: return [[False,False,False,False],[]] #This part should be updated to out vals etc maxAng=getMaxAngles(iso1,iso2,isoEject,isoRes,E1L,E2L,exList)[0] if maxAng=="NaN": return "NaN" if angle>=maxAng: return [[False,False,False,False],[]] # maxAng=radians(maxAng) #not sure about this # angLA1,Ea1,angLB1,Eb1=getEsAndAngs(iso1,iso2,isoEject,isoRes,E1L,E2L,angle,exList) sol1,sol2=analyticDetails(vEcm,vRcm,Vcm,angle,isoEject,isoRes) angLA1,Ea1,angLB1,Eb1=sol1 retVal2=[] if sol2 != []: angLA2,Ea2,angLB2,Eb2=sol2 retVal2=[degrees(angLA2),Ea2,degrees(angLB2),Eb2] retVal1=[degrees(angLA1),Ea1,degrees(angLB1),Eb1] return [retVal1,retVal2] def analyticDetails(vEcm,vRcm,Vcm,angle,isoEject,isoRes): angle=radians(angle) kAng=tan(angle) k1=1.0*vEcm/Vcm discr=1-(1+kAng**2)*(1-k1**2) secSol=True if discr<0: # print "Angle maybe too large" return [[False,False,False,False],[]] if angle <= pi/2: vxa1=Vcm*(1+sqrt(discr))/(1+kAng**2) else: #angle >= pi/2 #Using the backward solution for this case vxa1=Vcm*(1-sqrt(discr))/(1+kAng**2) secSol=False if Vcm<=vEcm: #There can only be one solution in this case. secSol=False #Ignoring the second solutions for now # vxa2=Vcm*(1-sqrt(discr))/(1+kAng**2) vya1=kAng*vxa1 # vya2=kAng*vxa2 va1=sqrt(vxa1**2+vya1**2) # va2=sqrt(vxa2**2+vya2**2) angLA1=atan2(vya1,vxa1) # angLA2=atan(vya2/vxa2) #To get the angle and velocity of the corresponding particle, we #do the following 1.- Get the center of mass velocity of #particle "a". vxa1CM=vxa1-Vcm vya1CM=vya1 # vxa2CM=vxa2-Vcm # vya2CM=vya2 #2.- Get the slopes #No need # sa1=vya1CM/vxa1CM # sa2=vya2CM/vxa2CM #3.- The corresponding angles angA1=atan2(vya1CM,vxa1CM) # angA2=atan(sa2) # print "angA1,angA2 = ", degrees(angA1),degrees(angA2) angB1=angA1-pi # angB2=angA2-pi #4.- The corresponding center of mass velocity values vxb1CM=vRcm*cos(angB1) vyb1CM=vRcm*sin(angB1) # vxb2CM=vRcm*cos(angB2) # vyb2CM=vRcm*sin(angB2) #5.- The lab values vxb1=vxb1CM+Vcm vyb1=vyb1CM vb1=sqrt(vxb1**2+vyb1**2) # vxb2=vxb2CM+Vcm # vyb2=vyb2CM # vb2=sqrt(vxb2**2+vyb2**2) angLB1=atan2(vyb1,vxb1) # angLB2=atan(vyb2/vxb2) Ea1=getEFromV(isoEject,va1) Eb1=getEFromV(isoRes,vb1) firstSolList=[angLA1,Ea1,angLB1,Eb1] secSolList=[] if secSol: #Calculating the second solutions here vxa2=Vcm*(1-sqrt(discr))/(1+kAng**2) vya2=kAng*vxa2 va2=sqrt(vxa2**2+vya2**2) angLA2=atan2(vya2,vxa2) #To get the angle and velocity of the corresponding particle, we #do the following 1.- Get the center of mass velocity of #particle "a". vxa2CM=vxa2-Vcm vya2CM=vya2 #2.- Get the slopes #No need # sa2=vya2CM/vxa2CM #3.- The corresponding angles angA2=atan2(vya2CM,vxa2CM) # print "angA1,angA2 = ", degrees(angA1),degrees(angA2) angB2=angA2-pi #4.- The corresponding center of mass velocity values vxb2CM=vRcm*cos(angB2) vyb2CM=vRcm*sin(angB2) #5.- The lab values vxb2=vxb2CM+Vcm vyb2=vyb2CM vb2=sqrt(vxb2**2+vyb2**2) # print(vb2) angLB2=atan2(vyb2,vxb2) Ea2=getEFromV(isoEject,va2) Eb2=getEFromV(isoRes,vb2) secSolList=[angLA2,Ea2,angLB2,Eb2] #Angle is in radians return [firstSolList,secSolList] # def getMaxAngles(v1L,v2L,m1,m2): def getMaxAngles(iso1,iso2,isoEject,isoRes,E1L,E2L=0,exList=[0,0,0,0]): vEcm,vRcm,Vcm=getVcms(iso1,iso2,isoEject,isoRes,E1L,E2L,exList) if Vcm == False: return ["NaN","NaN"] k1=1.0*vEcm/Vcm k2=1.0*vRcm/Vcm # print "k1,k2 = ",k1,k2 if k1 != 1: discr1=k1**2/(1.0-k1**2) # print "discr1 = ",discr1 if discr1<0: #Vcm < vEcm maxAng1=pi else: maxAng1=atan(sqrt(discr1)) else: maxAng1=pi #Maybe it should be pi/2 if k2 != 1: discr2=k2**2/(1.0-k2**2) # print "discr2 = ",discr2 if discr2<0: #Vcm < vRcm maxAng2=pi else: maxAng2=atan(sqrt(discr2)) else: maxAng2=pi #Maybe it should be pi/2 return [degrees(maxAng1),degrees(maxAng2)] def getIsotopes(s): a,key=getIso(s) l=[] if key not in iDict: return False for e in iDict[key][1]: isoVar=str(e)+key l+=[[isoVar,iDict[key][1][e][0]]] return l # print "#Populating dictionary" # iDict=populateDict() iDict=fastPopulateDict() def gamowE(iso1,iso2): #In MeV z1=getPnum(iso1) z2=getPnum(iso2) em1=getEMass(iso1) em2=getEMass(iso1) eMu=em1*em2/(em1+em2) GE=2*(pi*z1*z2*alpha)**2*eMu return GE def gamowPeak(iso1,iso2,T): GE=gamowE(iso1,iso2) TE=temp2E(T)/10**6 #Converting to MeV GP=(TE**2*GE/4)**(1.0/3) return GP def temp2E(T): #Energy given is in eV #Ta=300K, Ea=1/40eV Ta=300 Ea=0.025 TE=T/Ta*Ea return TE #Bethe-Bloch energy loss stuff def getBeta(iso,E): m=getEMass(iso) #The non relativistic version is: #v=sqrt(2.0*E/m)*c, and beta=v/c # beta=sqrt(2.0*E/m) #Using the relativistic version beta=sqrt(1-(1/(E/m+1))**2) return beta def getTOF(iso,E,L): #Here L is in meters beta=getBeta(iso,E) v=c*beta #t is in seconds t=L/v return t def getElectDensity(Z,A_r,rho): """Returns the electron density, in #e^-/cm^3""" #Properly is; n=(N_a*Z*rho)/(A*M_u), but M_u=1 g/mol n=(N_a*Z*rho)/A_r return n def getBlochMeanExcE(Z): """Returns the Bloch approximation of the mean ionization potential in eV """ I=10*Z return I #Using this for now, this has to be improved through a database or a #pickle file!!. Format will probably change. The list format (for now) #is Z, A_r, rho(at solid state). # materialDict={"silicon":[14,28.085,2.3290], # "gold":[79,196.966569,19.30], # "aluminum":[13,26.9815385,2.70], # "copper":[29,63.54,8.96]} def checkMaterial(material,bloch=False,density=None): #Calls get material properties to fill the cache only once vals=getMaterialProperties(material,bloch,density) if vals[-1] == False: return False return True #Global variable to avoid loading the pkl file over and over again. materialDictCache={} def getMaterialProperties(material,bloch=False,density=None): if material in materialDictCache: return materialDictCache[material] materialDict=getChemDictFromFile() if material not in materialDict: return False,False,False,False if bloch: Z=materialDict[material][0] materialDict[material][-1] = getBlochMeanExcE(Z) if density != None: materialDict[material][2]=density if materialDict[material][-1] == '-': return False,False,False,False materialDictCache[material]=materialDict[material] return materialDict[material] def getBetheLoss(iso,E,material): """Gets the Bethe energy loss differential of an ion through a material, it includes soft and hard scattering. """ beta=getBeta(iso,E) beta2=beta**2 coefs=getCBbetaCoef(iso,material) if coefs == None: return None C_beta,B_beta = coefs #remember dE/dx is negative, it is the relativistic formula dEx=C_beta/beta2*(log((B_beta*beta2)/(1-beta2))-beta2) return dEx CBDictCache={} def getCBbetaCoef(iso, material): myString="[" + iso + "," + material + "]" if myString in CBDictCache: return CBDictCache[myString] Z,A_r,rho,I=getMaterialProperties(material) if rho == False: return None n=getElectDensity(Z,A_r,rho) #n has to be given in #e^-/fm^3 n*=10**(-39) zNum=getPnum(iso) #"I" was given in eV so it has to be converted in MeV I*=10**(-6) C_beta=4*pi/electEMass*n*zNum**2*(hbc*alpha)**2 C_beta*=10**(9) #Converting the units into MeV/mu^3 B_beta=2*electEMass/I CBDictCache[myString]=[C_beta,B_beta] return CBDictCache[myString] def integrateELoss(iso,E,material,thick): """Gets the final energy of an ion going through a material with a certain thickness. """ partitionSize=10000 dx=1.0*thick/partitionSize ##For the criteria of considering the particle has stopped## coefs=getCBbetaCoef(iso,material) if coefs == None: #No material was found return -2 C_beta,B_beta = coefs ionMass=getEMass(iso) #e=2.71... EM=e*ionMass/(2*B_beta) dExMax=(C_beta*B_beta)/e fracCrit=0.01 ############## dEx=getBetheLoss(iso,E,material) #Next is for avoiding energy increment if dEx<=0: return -1 for i in range(partitionSize-1): dEx=getBetheLoss(iso,E,material) if dEx == None: #No material was found return -2 E-=dEx*dx if E<EM and dEx<=fracCrit*dExMax: #Particle has stopped return -1 return E #High energies might take a while def getParticleRange(iso,E,material): """Gets the range (in microns) of a charged particle in a material. """ dx=10**(-2)#TODO: make smarter selection 4 this ##For the criteria of considering the particle has stopped## coefs=getCBbetaCoef(iso,material) if coefs == None: #No material was found return -2 C_beta,B_beta = coefs ionMass=getEMass(iso) #e=2.71... EM=e*ionMass/(2*B_beta) dExMax=(C_beta*B_beta)/e fracCrit=0.01 ############## thick=0 #The following is for when E is less than EM initially dEx=getBetheLoss(iso,E,material) while not (E<EM and dEx<=fracCrit*dExMax): dEx=getBetheLoss(iso,E,material) E-=dEx*dx thick+=dx return thick #Note that the DeltaEs for alphas of 5.15, 5.48, 5.80 are 2.55, 2.41, #2.29 for an 11 micron silicon detector (and I think with a 1 micron #gold coating) #Don't forget this? #Leave it commented or else errors occur :( # conn.close()
ffavela/isonav
isonavBase.py
Python
gpl-3.0
46,355
[ "Avogadro" ]
b4236adb7ceb5b344af3cc04cbefafa22e921cf2562ec06012019ff67c16861c
# Copyright 2013 Google Inc. 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. """Parses a Sudoku puzzle image, converts the puzzle to a string of numbers. Code modified from the following sources: - http://goo.gl/baijxj - http://goo.gl/8O3obH """ import cv import cv2 import numpy as np GREEN = (0, 255, 0) SUDOKU_RESIZE = 450 NUM_ROWS = 9 JPEG_EXTENSION = '.jpeg' TEXT_WEIGHT = 2 TEXT_SIZE = 1 XOFFSET = 20 YOFFSET = 35 class SudokuImageParser(object): """Parses a sudoku puzzle. Attributes: model: cv2.KNearest model trained with OCR data. image: numpy.ndarray of the original Sudoku image. resized_largest_square: numpy.ndarray of the largest square in the image. stringified_puzzle: The puzzle as a string of numbers. """ def __init__(self): """Initialize the SudokuImageParser class and model.""" self.model = self._get_model() def parse(self, image_data): """Parses the image file and returns the puzzle as a string of numbers. Args: image_data: The data of the image as a string. Returns: String of numbers representing the Sudoku puzzle. """ self.image = self._create_image_from_data(image_data) largest_square = self._find_largest_square() self.resized_largest_square = self._resize( largest_square, SUDOKU_RESIZE) puzzle = self._get_puzzle() self.stringified_puzzle = ''.join(str(n) for n in puzzle.flatten()) return self.stringified_puzzle def draw_solution(self, solution): """Draw the solution to the puzzle on the image. Args: solution: An np array containing the solution to the puzzle. Returns: The numpy.ndarray with the solution. """ for i in xrange(len(self.stringified_puzzle)): if self.stringified_puzzle[i] == '0': r = i / NUM_ROWS c = i % NUM_ROWS loc = SUDOKU_RESIZE / NUM_ROWS posx = c*loc + XOFFSET posy = r*loc + YOFFSET cv2.putText( self.resized_largest_square, solution[i], (posx, posy), cv2.FONT_HERSHEY_SIMPLEX, TEXT_SIZE, GREEN, TEXT_WEIGHT) return self.resized_largest_square def convert_to_jpeg(self, nparray): """Converts a numpy array to a jpeg cv2.Mat image. Args: nparray: A numpy.ndarray of an image. Returns: A cv2.Mat jpeg-encoded image. """ cvmat = cv.fromarray(nparray) cvmat = cv.EncodeImage(JPEG_EXTENSION, cvmat) return cvmat def _create_image_from_data(self, image_data): """Convert string image data to cv2.Mat. Args: image_data: The data of the image as a string. Returns: A numpy.ndarray representing the image. """ np_array = np.fromstring(image_data, np.uint8) image = cv2.imdecode(np_array, cv2.CV_LOAD_IMAGE_COLOR) return image def _get_model(self): """Return the OCR model using training data and samples. Returns: Trained cv2.KNearest model. """ samples = np.float32(np.loadtxt('feature_vector_pixels2.data')) responses = np.float32(np.loadtxt('samples_pixels2.data')) model = cv2.KNearest() model.train(samples, responses) return model def _find_largest_square(self): """Find the largest square in the image, most likely the puzzle. Returns: Contour vector with the largest area or None if not found. """ contours, image = self._get_major_contours(self.image) # Store contours that could be the puzzle using the contour's area # as the key. possible_puzzles = {} for contour in contours: contour_length = cv2.arcLength(contour, True) area = cv2.contourArea(contour) # Approximate the contour to a polygon. contour = cv2.approxPolyDP(contour, 0.02 * contour_length, True) # Find contours with 4 vertices and an area greater than a # third of the image area with a convex shape. if len(contour) == 4 and ( area > image.size / 3.0 and cv2.isContourConvex(contour)): # Find the largest cosine of the angles in the contour. contour_reshaped = contour.reshape(-1, 2) max_cos = np.max([self._angle_cos( contour_reshaped[i], contour_reshaped[(i+1) % 4], contour_reshaped[(i+2) % 4]) for i in xrange(4)]) # If the max cosine is almost zero (a square), # it is most likely the Sudoku puzzle. if max_cos < 0.1: possible_puzzles[area] = contour # We get the smallest contour because sometimes interference around the # edge of the image creates a contour almost the size of the image, # and we don't want to use that contour. areas = possible_puzzles.keys() areas.sort() return possible_puzzles[areas[0]] def _get_puzzle(self): """Get the numbers in the puzzle in a 9x9 array. Returns: A numpy.ndarray filled with the numbers of the puzzle. """ # a 9x9 matrix to store our sudoku puzzle sudoku_matrix = np.zeros((NUM_ROWS, NUM_ROWS), np.uint8) contours, image_copy = self._get_major_contours( self.resized_largest_square, sigma1=3, threshold_type=cv2.THRESH_BINARY_INV, dilate=False) # Erode and dilate the image to further amplify features. kernel = cv2.getStructuringElement(cv2.MORPH_CROSS, (3, 3)) erode = cv2.erode(image_copy, kernel) dilate = cv2.dilate(erode, kernel) for contour in contours: area = cv2.contourArea(contour) # if 100 < area < 800: if 50 < area < 800: (bx, by, bw, bh) = cv2.boundingRect(contour) # if (100 < bw*bh < 1200) and (10 < bw < 40) and (25 < bh < 45): # aju if (100 < bw*bh < 1200) and (5 < bw < 40) and (10 < bh < 45): # Get the region of interest, which contains the number. roi = dilate[by:by + bh, bx:bx + bw] small_roi = cv2.resize(roi, (10, 10)) feature = small_roi.reshape((1, 100)).astype(np.float32) # Use the model to find the most likely number. ret, results, neigh, dist = self.model.find_nearest( feature, k=1) integer = int(results.ravel()[0]) # gridx and gridy are indices of row and column in Sudoku gridy = (bx + bw/2) / (SUDOKU_RESIZE / NUM_ROWS) gridx = (by + bh/2) / (SUDOKU_RESIZE / NUM_ROWS) sudoku_matrix.itemset((gridx, gridy), integer) return sudoku_matrix def _get_major_contours( self, image, sigma1=0, dilate=True, threshold_type=cv2.THRESH_BINARY): """Simplifies the image to find and return the major contours. Args: image: numpy.ndarray representing the image. sigma1: Integer Gaussian kernel standard deviation in X direction. dilate: Boolean for dilating the image. threshold_type: Integer representing the thresholding type. Returns: List of contours and the numpy.ndarray modified image. Raises: ImageError if image could not be processed. """ try: gray_image = cv2.cvtColor(image, cv2.COLOR_BGR2GRAY) except cv2.error as e: raise ImageError('Could not process image.') # mod_image = cv2.GaussianBlur(gray_image, ksize=(3, 3), sigma1=sigma1) # aju mod_image = cv2.GaussianBlur(gray_image, (3, 3), sigma1) if dilate: mod_image = cv2.dilate( mod_image, kernel=cv2.getStructuringElement( shape=cv2.MORPH_RECT, ksize=(3, 3))) mod_image = cv2.adaptiveThreshold( mod_image, maxValue=255, adaptiveMethod=cv2.ADAPTIVE_THRESH_MEAN_C, thresholdType=threshold_type, blockSize=5, C=2) copied_image = mod_image.copy() contours, hierarchy = cv2.findContours( mod_image, cv2.RETR_LIST, cv2.CHAIN_APPROX_SIMPLE) return contours, copied_image def _angle_cos(self, p0, p1, p2): """Find the cosine of the angle. Args: p0: List representing the coordinates one corner of the square. p1: List representing the coordinates one corner of the square. p2: List representing the coordinates one corner of the square. Returns: The float cosine of the angle between the 3 coordinates. """ d1 = (p0 - p1).astype('float') d2 = (p2 - p1).astype('float') return abs(np.dot(d1, d2) / np.sqrt(np.dot(d1, d1) * np.dot(d2, d2))) def _resize(self, square, size): """Resize the sudoku puzzle to specified dimension. Args: square: The cv2.Mat image to resize. size: The integer value to resize the image to. Returns: The resized numpy.ndarray of the image. """ # Put the corners of square in clockwise order. approx = self._rectify(square) h = np.array( [[0, 0], [size - 1, 0], [size - 1, size - 1], [0, size - 1]], np.float32) # Get the transformation matrix. tranformed_image = cv2.getPerspectiveTransform(approx, h) # Use the transformation matrix to resize the square to the # specified size. resized_image = cv2.warpPerspective( self.image, tranformed_image, (size, size)) return resized_image def _rectify(self, square): """Put vertices of square in clockwise order. Args: square: List of vertices representing a square. Returns: List of vertices of the square in clockwise order. """ square = square.reshape((4, 2)) square_new = np.zeros((4, 2), dtype=np.float32) add = square.sum(1) square_new[0] = square[np.argmin(add)] square_new[2] = square[np.argmax(add)] diff = np.diff(square, axis=1) square_new[1] = square[np.argmin(diff)] square_new[3] = square[np.argmax(diff)] return square_new class ImageError(Exception): """Raised when image could not be processed."""
gdgjodhpur/appengine-opencv-sudoku-python
sudoku_image_parser.py
Python
apache-2.0
11,664
[ "Gaussian" ]
9fee3947ce0c1c4ffa4ed12b5b25fd77a0065d870eeb94c3fff1385c61987a62
#!/usr/bin/python # Copyright 2008 Marcus D. Hanwell <marcus@cryos.org> # Distributed under the terms of the GNU General Public License v2 or later # # Taken from commit 40304a05323c68d0297a8ade123d27c6e0c78d8c at # http://github.com/cryos/avogadro/blob/master/scripts/gitlog2changelog.py import string, re, os # Execute git log with the desired command line options. fin = os.popen('git log --summary --stat --no-merges --date=short', 'r') # Create a ChangeLog file in the current directory. fout = open('ChangeLog', 'w') # Set up the loop variables in order to locate the blocks we want authorFound = False dateFound = False messageFound = False filesFound = False message = "" messageNL = False files = "" prevAuthorLine = "" # The main part of the loop for line in fin: # The commit line marks the start of a new commit object. if string.find(line, 'commit') >= 0: # Start all over again... authorFound = False dateFound = False messageFound = False messageNL = False message = "" filesFound = False files = "" continue # Match the author line and extract the part we want elif re.match('Author:', line) >=0: authorList = re.split(': ', line, 1) author = authorList[1] author = author[0:len(author)-1] authorFound = True # Match the date line elif re.match('Date:', line) >= 0: dateList = re.split(': ', line, 1) date = dateList[1] date = date[0:len(date)-1] dateFound = True # The svn-id lines are ignored elif re.match(' git-svn-id:', line) >= 0: continue # The sign off line is ignored too elif re.search('Signed-off-by', line) >= 0: continue # Extract the actual commit message for this commit elif authorFound & dateFound & messageFound == False: # Find the commit message if we can if len(line) == 1: if messageNL: messageFound = True else: messageNL = True elif len(line) == 4: messageFound = True else: if len(message) == 0: message = message + line.strip() else: message = message + " " + line.strip() # If this line is hit all of the files have been stored for this commit elif re.search('files changed', line) >= 0: filesFound = True continue # Collect the files for this commit. FIXME: Still need to add +/- to files elif authorFound & dateFound & messageFound: fileList = re.split(' \| ', line, 2) if len(fileList) > 1: if len(files) > 0: files = files + ", " + fileList[0].strip() else: files = fileList[0].strip() # All of the parts of the commit have been found - write out the entry if authorFound & dateFound & messageFound & filesFound: # First the author line, only outputted if it is the first for that # author on this day authorLine = date + " " + author if len(prevAuthorLine) == 0: fout.write(authorLine + "\n") elif authorLine == prevAuthorLine: pass else: fout.write("\n" + authorLine + "\n") # Assemble the actual commit message line(s) and limit the line length # to 80 characters. commitLine = "* " + files + ": " + message i = 0 commit = "" while i < len(commitLine): if len(commitLine) < i + 78: commit = commit + "\n " + commitLine[i:len(commitLine)] break index = commitLine.rfind(' ', i, i+78) if index > i: commit = commit + "\n " + commitLine[i:index] i = index+1 else: commit = commit + "\n " + commitLine[i:78] i = i+79 # Write out the commit line fout.write(commit + "\n") #Now reset all the variables ready for a new commit block. authorFound = False dateFound = False messageFound = False messageNL = False message = "" filesFound = False files = "" prevAuthorLine = authorLine # Close the input and output lines now that we are finished. fin.close() fout.close()
Beirdo/beirdobot
scripts/gitlog2changelog.py
Python
lgpl-2.1
4,359
[ "Avogadro" ]
d1e15a079860e5b4bf6143ed3326ff4a555ef9f2b4e49ae2f315e6e61a6e0861
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class PyBrian(PythonPackage): """A clock-driven simulator for spiking neural networks""" homepage = "http://www.briansimulator.org" url = "https://pypi.io/packages/source/b/brian/brian-1.4.3.tar.gz" version('1.4.3', sha256='c881dcfcd1a21990f9cb3cca76cdd868111cfd9e227ef5c1b13bb372d2efeaa4') depends_on('py-matplotlib@0.90.1:', type=('build', 'run')) depends_on('py-numpy@1.4.1:', type=('build', 'run')) depends_on('py-scipy@0.7.0:', type=('build', 'run'))
iulian787/spack
var/spack/repos/builtin/packages/py-brian/package.py
Python
lgpl-2.1
724
[ "Brian" ]
702a144240ad96ddd60a10799980eb747b7e39857588b7e4f36adc072fc404ca
# Copyright (C) 2003 CAMP # Please see the accompanying LICENSE file for further information. """K-point/spin combination-descriptors This module contains classes for defining combinations of two indices: * Index k for irreducible kpoints in the 1st Brillouin zone. * Index s for spin up/down if spin-polarized (otherwise ignored). """ import numpy as np from ase.units import Bohr from ase.dft import monkhorst_pack from gpaw.symmetry import Symmetry from gpaw.kpoint import KPoint class KPointDescriptor: """Descriptor-class for k-points.""" def __init__(self, kpts, nspins): """Construct descriptor object for kpoint/spin combinations (ks-pair). Parameters ---------- kpts: None, list of ints, or ndarray Specification of the k-point grid. None=Gamma, list of ints=Monkhorst-Pack, ndarray=user specified. nspins: int Number of spins. Attributes ============ ====================================================== ``N_c`` Number of k-points in the different directions. ``nspins`` Number of spins. ``nibzkpts`` Number of irreducible kpoints in 1st Brillouin zone. ``nks`` Number of k-point/spin combinations in total. ``mynks`` Number of k-point/spin combinations on this CPU. ``gamma`` Boolean indicator for gamma point calculation. ``comm`` MPI-communicator for kpoint distribution. ============ ====================================================== """ if kpts is None: self.bzk_kc = np.zeros((1, 3)) self.N_c = np.array((1, 1, 1), dtype=int) elif isinstance(kpts[0], int): self.bzk_kc = monkhorst_pack(kpts) self.N_c = np.array(kpts, dtype=int) else: self.bzk_kc = np.array(kpts) self.N_c = None self.nspins = nspins self.nbzkpts = len(self.bzk_kc) # Gamma-point calculation self.gamma = self.nbzkpts == 1 and not self.bzk_kc[0].any() self.symmetry = None self.comm = None self.ibzk_kc = None self.weight_k = None self.nibzkpts = None self.rank0 = None self.mynks = None self.ks0 = None self.ibzk_qc = None def __len__(self): """Return number of k-point/spin combinations of local CPU.""" return self.mynks def set_symmetry(self, atoms, setups, usesymm, N_c=None): """Create symmetry object and construct irreducible Brillouin zone. Parameters ---------- atoms: Atoms object Defines atom positions and types and also unit cell and boundary conditions. setups: instance of class Setups PAW setups for the atoms. usesymm: bool Symmetry flag. N_c: three int's or None If not None: Check also symmetry of grid. """ if (~atoms.pbc & self.bzk_kc.any(0)).any(): raise ValueError('K-points can only be used with PBCs!') # Construct a Symmetry instance containing the identity operation # only # Round off magmom_a = atoms.get_initial_magnetic_moments().round(decimals=3) id_a = zip(magmom_a, setups.id_a) self.symmetry = Symmetry(id_a, atoms.cell / Bohr, atoms.pbc) if self.gamma or usesymm is None: # Point group and time-reversal symmetry neglected nkpts = len(self.bzk_kc) self.weight_k = np.ones(nkpts) / nkpts self.ibzk_kc = self.bzk_kc.copy() self.sym_k = np.zeros(nkpts) self.time_reversal_k = np.zeros(nkpts, bool) self.kibz_k = np.arange(nkpts) else: if usesymm: # Find symmetry operations of atoms self.symmetry.analyze(atoms.get_scaled_positions()) if N_c is not None: self.symmetry.prune_symmetries_grid(N_c) (self.ibzk_kc, self.weight_k, self.sym_k, self.time_reversal_k, self.kibz_k) = self.symmetry.reduce(self.bzk_kc) setups.set_symmetry(self.symmetry) # Number of irreducible k-points and k-point/spin combinations. self.nibzkpts = len(self.ibzk_kc) self.nks = self.nibzkpts * self.nspins def set_communicator(self, comm): """Set k-point communicator.""" # Ranks < self.rank0 have mynks0 k-point/spin combinations and # ranks >= self.rank0 have mynks0+1 k-point/spin combinations. mynks0, x = divmod(self.nks, comm.size) self.rank0 = comm.size - x self.comm = comm # My number and offset of k-point/spin combinations self.mynks, self.ks0 = self.get_count(), self.get_offset() if self.nspins == 2 and comm.size == 1: # Avoid duplicating k-points in local list of k-points. self.ibzk_qc = self.ibzk_kc.copy() else: self.ibzk_qc = np.vstack((self.ibzk_kc, self.ibzk_kc))[self.get_slice()] def create_k_points(self, gd): """Return a list of KPoints.""" sdisp_cd = gd.sdisp_cd kpt_u = [] for ks in range(self.ks0, self.ks0 + self.mynks): s, k = divmod(ks, self.nibzkpts) q = (ks - self.ks0) % self.nibzkpts weight = self.weight_k[k] * 2 / self.nspins if self.gamma: phase_cd = np.ones((3, 2), complex) else: phase_cd = np.exp(2j * np.pi * sdisp_cd * self.ibzk_kc[k, :, np.newaxis]) kpt_u.append(KPoint(weight, s, k, q, phase_cd)) return kpt_u def transform_wave_function(self, psit_G, k): """Transform wave function from IBZ to BZ. k is the index of the desired k-point in the full BZ.""" s = self.sym_k[k] time_reversal = self.time_reversal_k[k] op_cc = np.linalg.inv(self.symmetry.op_scc[s]).round().astype(int) # Identity if (np.abs(op_cc - np.eye(3, dtype=int)) < 1e-10).all(): if time_reversal: return psit_G.conj() else: return psit_G # Inversion symmetry elif (np.abs(op_cc + np.eye(3, dtype=int)) < 1e-10).all(): return psit_G.conj() # General point group symmetry else: ik = self.kibz_k[k] kibz_c = self.ibzk_kc[ik] kbz_c = self.bzk_kc[k] import _gpaw b_g = np.zeros_like(psit_G) if time_reversal: # assert abs(np.dot(op_cc, kibz_c) - -kbz_c) < tol _gpaw.symmetrize_wavefunction(psit_G, b_g, op_cc.copy(), kibz_c, -kbz_c) return b_g.conj() else: # assert abs(np.dot(op_cc, kibz_c) - kbz_c) < tol _gpaw.symmetrize_wavefunction(psit_G, b_g, op_cc.copy(), kibz_c, kbz_c) return b_g def find_k_plus_q(self, q_c): """Find the indices of k+q for all kpoints in the Brillouin zone. In case that k+q is outside the BZ, the k-point inside the BZ corresponding to k+q is given. Parameters ---------- q_c: ndarray Coordinates for the q-vector in units of the reciprocal lattice vectors. """ # Monkhorst-pack grid if self.N_c is not None: N_c = self.N_c dk_c = 1. / N_c kmax_c = (N_c - 1) * dk_c / 2. N = np.zeros(3, dtype=int) # k+q vectors kplusq_kc = self.bzk_kc + q_c # Translate back into the first BZ kplusq_kc[np.where(kplusq_kc > 0.5)] -= 1. kplusq_kc[np.where(kplusq_kc <= -0.5)] += 1. # List of k+q indices kplusq_k = [] # Find index of k+q vector in the bzk_kc attribute for kplusq, kplusq_c in enumerate(kplusq_kc): # Calculate index for Monkhorst-Pack grids if self.N_c is not None: N = np.asarray(np.round((kplusq_c + kmax_c) / dk_c), dtype=int) kplusq_k.append(N[2] + N[1] * N_c[2] + N[0] * N_c[2] * N_c[1]) else: k = np.argmin(np.sum(np.abs(self.bzk_kc - kplusq_c), axis=1)) kplusq_k.append(k) # Check the k+q vector index k_c = self.bzk_kc[kplusq_k[kplusq]] assert abs(kplusq_c - k_c).sum() < 1e-8, "Could not find k+q!" return kplusq_k def get_bz_q_points(self): """Return the q=k1-k2.""" bzk_kc = self.bzk_kc # Get all q-points all_qs = [] for k1 in bzk_kc: for k2 in bzk_kc: all_qs.append(k1-k2) all_qs = np.array(all_qs) # Fold q-points into Brillouin zone all_qs[np.where(all_qs > 0.501)] -= 1. all_qs[np.where(all_qs < -0.499)] += 1. # Make list of non-identical q-points in full BZ bz_qs = [all_qs[0]] for q_a in all_qs: q_in_list = False for q_b in bz_qs: if (abs(q_a[0]-q_b[0]) < 0.01 and abs(q_a[1]-q_b[1]) < 0.01 and abs(q_a[2]-q_b[2]) < 0.01): q_in_list = True break if q_in_list == False: bz_qs.append(q_a) self.bzq_kc = bz_qs return def where_is_q(self, q_c): """Find the index of q points.""" q_c[np.where(q_c>0.499)] -= 1 q_c[np.where(q_c<-0.499)] += 1 found = False for ik in range(self.nbzkpts): if (np.abs(self.bzq_kc[ik] - q_c) < 1e-8).all(): found = True return ik break if found is False: print self.bzq_kc, q_c raise ValueError('q-points can not be found!') def get_count(self, rank=None): """Return the number of ks-pairs which belong to a given rank.""" if rank is None: rank = self.comm.rank assert rank in xrange(self.comm.size) mynks0 = self.nks // self.comm.size mynks = mynks0 if rank >= self.rank0: mynks += 1 return mynks def get_offset(self, rank=None): """Return the offset of the first ks-pair on a given rank.""" if rank is None: rank = self.comm.rank assert rank in xrange(self.comm.size) mynks0 = self.nks // self.comm.size ks0 = rank * mynks0 if rank >= self.rank0: ks0 += rank - self.rank0 return ks0 def get_rank_and_index(self, s, k): """Find rank and local index of k-point/spin combination.""" u = self.where_is(s, k) rank, myu = self.who_has(u) return rank, myu def get_slice(self, rank=None): """Return the slice of global ks-pairs which belong to a given rank.""" if rank is None: rank = self.comm.rank assert rank in xrange(self.comm.size) mynks, ks0 = self.get_count(rank), self.get_offset(rank) uslice = slice(ks0, ks0 + mynks) return uslice def get_indices(self, rank=None): """Return the global ks-pair indices which belong to a given rank.""" uslice = self.get_slice(rank) return np.arange(*uslice.indices(self.nks)) def get_ranks(self): """Return array of ranks as a function of global ks-pair indices.""" ranks = np.empty(self.nks, dtype=int) for rank in range(self.comm.size): uslice = self.get_slice(rank) ranks[uslice] = rank assert (ranks >= 0).all() and (ranks < self.comm.size).all() return ranks def who_has(self, u): """Convert global index to rank information and local index.""" mynks0 = self.nks // self.comm.size if u < mynks0 * self.rank0: rank, myu = divmod(u, mynks0) else: rank, myu = divmod(u - mynks0 * self.rank0, mynks0 + 1) rank += self.rank0 return rank, myu def global_index(self, myu, rank=None): """Convert rank information and local index to global index.""" if rank is None: rank = self.comm.rank assert rank in xrange(self.comm.size) ks0 = self.get_offset(rank) u = ks0 + myu return u def what_is(self, u): """Convert global index to corresponding kpoint/spin combination.""" s, k = divmod(u, self.nibzkpts) return s, k def where_is(self, s, k): """Convert kpoint/spin combination to the global index thereof.""" u = k + self.nibzkpts * s return u #def get_size_of_global_array(self): # return (self.nspins*self.nibzkpts,) # #def ... class KPointDescriptorOld: """Descriptor-class for ordered lists of kpoint/spin combinations TODO """ #XXX def __init__(self, nspins, nibzkpts, comm=None, gamma=True, dtype=float): """Construct descriptor object for kpoint/spin combinations (ks-pair). Parameters: nspins: int Number of spins. nibzkpts: int Number of irreducible kpoints in 1st Brillouin zone. comm: MPI-communicator Communicator for kpoint-groups. gamma: bool More to follow. dtype: NumPy dtype More to follow. Note that if comm.size is greater than the number of spins, then the kpoints cannot all be located at the gamma point and therefor the gamma boolean loses its significance. Attributes: ============ ====================================================== ``nspins`` Number of spins. ``nibzkpts`` Number of irreducible kpoints in 1st Brillouin zone. ``nks`` Number of k-point/spin combinations in total. ``mynks`` Number of k-point/spin combinations on this CPU. ``gamma`` Boolean indicator for gamma point calculation. ``dtype`` Data type appropriate for wave functions. ``beg`` Beginning of ks-pair indices in group (inclusive). ``end`` End of ks-pair indices in group (exclusive). ``step`` Stride for ks-pair indices between ``beg`` and ``end``. ``comm`` MPI-communicator for kpoint distribution. ============ ====================================================== """ if comm is None: comm = mpi.serial_comm self.comm = comm self.rank = self.comm.rank self.nspins = nspins self.nibzkpts = nibzkpts self.nks = self.nibzkpts * self.nspins # XXX Check from distribute_cpus in mpi/__init__.py line 239 rev. 4187 if self.nks % self.comm.size != 0: raise RuntimeError('Cannot distribute %d k-point/spin ' \ 'combinations to %d processors' % \ (self.nks, self.comm.size)) self.mynks = self.nks // self.comm.size # TODO Move code from PAW.initialize in paw.py lines 319-328 rev. 4187 self.gamma = gamma self.dtype = dtype uslice = self.get_slice() self.beg, self.end, self.step = uslice.indices(self.nks) #XXX u is global kpoint index def __len__(self): return self.mynks def get_rank_and_index(self, s, k): """Find rank and local index of k-point/spin combination.""" u = self.where_is(s, k) rank, myu = self.who_has(u) return rank, myu def get_slice(self, rank=None): """Return the slice of global ks-pairs which belong to a given rank.""" if rank is None: rank = self.comm.rank assert rank in xrange(self.comm.size) ks0 = rank * self.mynks uslice = slice(ks0, ks0 + self.mynks) return uslice def get_indices(self, rank=None): """Return the global ks-pair indices which belong to a given rank.""" uslice = self.get_slice(rank) return np.arange(*uslice.indices(self.nks)) def get_ranks(self): """Return array of ranks as a function of global ks-pair indices.""" ranks = np.empty(self.nks, dtype=int) for rank in range(self.comm.size): uslice = self.get_slice(rank) ranks[uslice] = rank assert (ranks >= 0).all() and (ranks < self.comm.size).all() return ranks def who_has(self, u): """Convert global index to rank information and local index.""" rank, myu = divmod(u, self.mynks) return rank, myu def global_index(self, myu, rank=None): """Convert rank information and local index to global index.""" if rank is None: rank = self.comm.rank u = rank * self.mynks + myu return u def what_is(self, u): """Convert global index to corresponding kpoint/spin combination.""" s, k = divmod(u, self.nibzkpts) return s, k def where_is(self, s, k): """Convert kpoint/spin combination to the global index thereof.""" u = k + self.nibzkpts * s return u #def get_size_of_global_array(self): # return (self.nspins*self.nibzkpts,) # #def ...
qsnake/gpaw
gpaw/kpt_descriptor.py
Python
gpl-3.0
17,804
[ "ASE", "GPAW" ]
1ec134d6a5b25e24d59987e3d0dd12f4f9c343bdf61925df828a64a014c7ab3e
#!/usr/bin/env python import os.path, sys from fityk import Fityk class GaussianFitter(Fityk): def __init__(self, filename): Fityk.__init__(self) if not os.path.isfile(filename): raise ValueError("File `%s' not found." % filename) self.filename = filename self.execute("@0 < '%s'" % filename) print "Data info:", self.get_info("data", 0) def run(self): self.execute("guess Gaussian") gauss = self.all_functions()[-1] # the last function (just created) print "initial Gaussian center: %g" % gauss.get_param_value("center") print "Fitting %s ..." % self.filename self.execute("fit") print "WSSR=", self.get_wssr() print "Gaussian center: %g" % gauss.get_param_value("center") def save_session(self, filename): self.execute("info state >'%s'" % filename) f = Fityk() print f.get_info("version") print "ln(2) =", f.calculate_expr("ln(2)") del f g = GaussianFitter(os.path.join(os.path.dirname(sys.argv[0]), "nacl01.dat")) g.run() g.save_session("tmp_save.fit")
wojdyr/fityk
samples/hello.py
Python
gpl-2.0
1,092
[ "Gaussian" ]
e7f7ab53b455315b406a355f2ff3d33d3f14e0bf1506d7978cf054ebb3f7f37b
# -*- coding: utf-8 -*- # Generated by Django 1.9.7 on 2016-08-05 00:09 from __future__ import unicode_literals from django.db import migrations, models class Migration(migrations.Migration): dependencies = [ ('visit', '0116_auto_20160803_1607'), ] operations = [ migrations.AddField( model_name='programdirector', name='receive_emails', field=models.BooleanField(default=True), ), migrations.AlterField( model_name='school', name='program_model', field=models.CharField(choices=[(b'school_wide', b'2+2'), (b'fellowship', b'Fellowship Model'), (b'ptlt', b'PTLT')], max_length=20), ), ]
koebbe/homeworks
visit/migrations/0117_auto_20160804_1909.py
Python
mit
719
[ "VisIt" ]
6164b324b4e4bf1485be680a5fe8ce7deaea7ad855ae483cf04fd467b5c46de7
import copy import os import datetime import inspect import hashlib import re import os.path import random import glob from GangaCore.GPIDev.Base.Proxy import stripProxy, isType, getName from GangaCore.GPIDev.Lib.GangaList.GangaList import GangaList from GangaCore.GPIDev.Schema import Schema, Version, SimpleItem, ComponentItem from GangaCore.GPIDev.Adapters.IGangaFile import IGangaFile from GangaCore.GPIDev.Lib.File import FileUtils from GangaCore.GPIDev.Lib.Job.Job import Job from GangaCore.Utility.files import expandfilename from GangaCore.Core.exceptions import GangaFileError from GangaDirac.Lib.Utilities.DiracUtilities import getDiracEnv, execute, GangaDiracError import GangaCore.Utility.Config from GangaCore.Runtime.GPIexport import exportToGPI from GangaCore.GPIDev.Credentials import require_credential from GangaDirac.Lib.Credentials.DiracProxy import DiracProxy, DiracProxyInfo from GangaCore.Utility.Config import getConfig from GangaCore.Utility.logging import getLogger from GangaDirac.Lib.Backends.DiracUtils import getAccessURLs configDirac = getConfig('DIRAC') logger = getLogger() regex = re.compile('[*?\[\]]') global stored_list_of_sites stored_list_of_sites = [] class DiracFile(IGangaFile): """ File stored on a DIRAC storage element Usage: Some common use cases: 1) Uploading a file and sending jobs to run over it 2) Uploading a file to be sent to where your jobs are running 3) Uploading and removing a file 4) Removing an existing file from Dirac storage 5) Change the path of LFN produced by a ganga job. 6) Accessing a (potentially remote) file known to Dirac through an LFN 1) To upload a file and submit a job to use it as inputdata: df = DiracFile('/path/to/some/local/file') df.put() j=Job( ... ) j.inputdata=[df.lfn] (The file is now accessible via data.py at the site) 2) To upload a file and make it available on a workernode: df = DiracFile('/path/to/some/local/file') df.put(uploadSE = 'CERN-USER') j=Job( ... ) j.inputfiles = [df] j.submit() 3) To upload and then remove a file: df = DiracFile('/path/to/some/local/file') df.put() df.remove() 4) To remove an existing file already in Dirac storage df = DiracFile('LFN:/some/lfn/path') df.remove() or: df = DiracFile(lfn='/some/lfn/path') df.remove() 5) To change an LFN path structure which is produced by Ganga: j=Job( ... ) j.outputfiles=[DiracFile('myAwesomeLFN.ext', remoteDir='myPath_{jid}_{sjid}')] j.submit() This will produce LFN similar to: /lhcb/user/<u>/<user>/myPath_1_2/2017_01/123456/123456789/myAwesomeLFN.ext Other possibilities may look like: j.outputfiles=[DiracFile('myData.ext', remoteDir='myProject/job{jid}_sj{sjid}')] => /lhcb/user/<u>/<user>/myProject/job1_sj2/2017_01/123456/123456789/myData.ext j.outputfiles=[DiracFile('myData.ext', remoteDir='myProject')] => /lhcb/user/<u>/<user>/myProject/2017_01/123456/123456789/myData.ext Alternatively you may change in your .gangarc: [DIRAC] useGangaPath=True This will give you LFN like: /lhcb/user/<u>/<user>/GangaJob_13/OutputFiles/2017_01/123456/123456789/myFile.ext for all future jobs while this is in your .gangarc config. 6) Accessing a (potentially remote) file locally known to DIRAC: df = DiracFile(lfn='/some/lfn/path') ganga_path = df.accessURL() **exit ganga** root ganga_path # to stream a file over xrootd:// """ _schema = Schema(Version(1, 1), {'namePattern': SimpleItem(defvalue="", doc='pattern of the file name'), 'localDir': SimpleItem(defvalue=None, copyable=1, typelist=['str', 'type(None)'], doc='local dir where the file is stored, used from get and put methods'), 'locations': SimpleItem(defvalue=[], copyable=1, typelist=['str'], sequence=1, doc="list of SE locations where the outputfiles are uploaded"), 'compressed': SimpleItem(defvalue=False, typelist=['bool'], protected=0, doc='wheather the output file should be compressed before sending somewhere'), 'lfn': SimpleItem(defvalue='', copyable=1, typelist=['str'], doc='return the logical file name/set the logical file name to use if not ' 'using wildcards in namePattern'), 'remoteDir': SimpleItem(defvalue="", doc='remote directory where the LFN is to be placed within ' 'this is the relative path of the LFN which is put between the user LFN base and the filename.'), 'guid': SimpleItem(defvalue='', copyable=1, typelist=['str'], doc='return the GUID/set the GUID to use if not using wildcards in the namePattern.'), 'subfiles': ComponentItem(category='gangafiles', defvalue=[], sequence=1, copyable=0, # hidden=1, typelist=['GangaDirac.Lib.Files.DiracFile'], doc="collected files from the wildcard namePattern"), 'defaultSE': SimpleItem(defvalue='', copyable=1, doc="defaultSE where the file is to be accessed from or uploaded to"), 'failureReason': SimpleItem(defvalue="", protected=1, copyable=0, doc='reason for the upload failure'), 'credential_requirements': ComponentItem('CredentialRequirement', defvalue='DiracProxy'), }) _env = None _category = 'gangafiles' _name = "DiracFile" _exportmethods = ["get", "getMetadata", "getReplicas", 'getSubFiles', 'remove', 'removeReplica', "replicate", 'put', 'locations', 'location', 'accessURL', '_updateRemoteURLs', 'hasMatchedFiles', 'getSize'] _additional_slots = ['_have_copied', '_remoteURLs', '_storedReplicas'] def __init__(self, namePattern='', localDir=None, lfn='', remoteDir=None, **kwds): """ name is the name of the output file that has to be written ... """ super(DiracFile, self).__init__() self.locations = [] self._setLFNnamePattern(lfn, namePattern) if localDir is not None: self.localDir = localDir if remoteDir is not None: self.remoteDir = remoteDir self._have_copied = False self._remoteURLs = {} self._storedReplicas = {} def __setattr__(self, attr, value): """ This is an overloaded setter method to make sure that we're auto-expanding the filenames of files which exist. In the case we're assigning any other attributes the value is simply passed through Args: attr (str): This is the name of the attribute which we're assigning value (unknown): This is the value being assigned. """ actual_value = value if attr == "namePattern": this_dir, actual_value = os.path.split(value) if this_dir: self.localDir = this_dir elif attr == 'localDir': if value: new_value = os.path.abspath(expandfilename(value)) if os.path.exists(new_value): actual_value = new_value super(DiracFile, self).__setattr__(attr, actual_value) def _attribute_filter__set__(self, name, value): if value != "" and value is not None: # Do some checking of the filenames in a subprocess if name == 'lfn': this_dir, self.namePattern = os.path.split(value) if this_dir: self.remoteDir = this_dir return value elif name == 'namePattern': self.localDir, this_name = os.path.split(value) return this_name elif name == 'localDir': if value: return expandfilename(value) else: return value return value def locations(self): return self.locations def getSize(self): """ Return the size of the DiracFile. """ md = self.getMetadata() size = md['Successful'][self.lfn]['Size'] return size def _setLFNnamePattern(self, lfn="", namePattern=""): if hasattr(self, 'defaultSE') and self.defaultSE != "": ## TODO REPLACE THIS WITH IN LIST OF VONAMES KNOWN # Check for /lhcb/some/path or /gridpp/some/path if namePattern.split(os.pathsep)[0] == self.defaultSE \ or (len(namePattern) > 3 and namePattern[0:4].upper() == "LFN:"\ or len(namePattern.split(os.pathsep)) > 1 and namePattern.split(os.pathsep)[1] == self.defaultSE): # Check for LFN:/gridpp/some/path or others... lfn = namePattern namePattern = "" if lfn: if len(lfn) > 3 and lfn[0:4].upper() == "LFN:": lfn = lfn[4:] elif namePattern: if len(namePattern) > 3 and namePattern[0:4].upper() == 'LFN:': lfn = namePattern[4:] if lfn != "" and namePattern != "": self.lfn = lfn self.namePattern = namePattern elif lfn != "" and namePattern == "": self.lfn = lfn elif namePattern != "" and lfn == "": self.namePattern = namePattern def _attribute_filter__get__(self, name): # Attempt to spend too long loading un-needed objects into memory in # order to read job status if name is 'lfn': if not self.lfn: logger.warning("Do NOT have an LFN, for file: %s" % self.namePattern) logger.warning("If file exists locally try first using the method put()") return object.__getattribute__(self, 'lfn') elif name in ['guid', 'locations']: if configDirac['DiracFileAutoGet']: if name is 'guid': if self.guid: if self.lfn: self.getMetadata() return object.__getattribute__(self, 'guid') elif name is 'locations': if self.locations == []: if self.lfn: self.getMetadata() return object.__getattribute__(self, 'locations') return object.__getattribute__(self, name) def __repr__(self): """Get the representation of the file.""" return "DiracFile(namePattern='%s', lfn='%s', localDir='%s')" % (self.namePattern, self.lfn, self.localDir) def getSubFiles(self, process_wildcards = False): """ Returns the subfiles for this instance """ if process_wildcards: self.processWildcardMatches() if self.lfn: self.setLocation() return self.subfiles def dirac_line_processor(self, line, dirac_file, localPath): """ Function to interperate the post processor lines. This returns False when everything went OK and True on an ERROR """ logger.debug("Calling dirac_line_processor") tokens = line.strip().split(':::') logger.debug("dirac_line_processor: %s" % tokens) pattern = tokens[1].split('->')[0].split('&&')[0] name = tokens[1].split('->')[0].split('&&')[1] lfn = tokens[1].split('->')[1] guid = tokens[3] try: locations = eval(tokens[2]) except Exception as err: logger.debug("line_process err: %s" % err) locations = tokens[2] if pattern == name: logger.debug("pattern == name") logger.error("Failed to parse outputfile data for file '%s'" % name) return True # This is the case that multiple files were requested if pattern == dirac_file.namePattern: logger.debug("pattern == dirac_file.namePattern") d = DiracFile(namePattern=name, lfn=lfn) d.compressed = dirac_file.compressed d.guid = guid d.locations = locations d.localDir = localPath dirac_file.subfiles.append(d) #dirac_line_processor(line, d) return False # This is the case that an individual file was requested elif name == dirac_file.namePattern: logger.debug("name == dirac_file.namePattern") if lfn == '###FAILED###': dirac_file.failureReason = tokens[2] logger.error("Failed to upload file '%s' to Dirac: %s" % (name, dirac_file.failureReason)) return True dirac_file.lfn = lfn dirac_file.locations = locations dirac_file.guid = guid dirac_file.localDir = localPath return False else: logger.debug("False") return False def setLocation(self): """ """ logger.debug("DiracFile: setLocation") if not stripProxy(self).getJobObject(): logger.error("No job assocaited with DiracFile: %s" % str(self)) return job = self.getJobObject() postprocessLocationsPath = os.path.join(job.outputdir, getConfig('Output')['PostProcessLocationsFileName']) postprocesslocations = None try: postprocesslocations = open(postprocessLocationsPath, 'r') self.subfiles = [] ## NB remember only do this once at it leaves the 'cursor' at the end of the file - rcurrie all_lines = postprocesslocations.readlines() logger.debug("lines:\n%s" % all_lines) for line in all_lines: logger.debug("This line: %s" % line) if line.startswith('DiracFile'): if self.dirac_line_processor(line, self, os.path.dirname(postprocessLocationsPath)) and regex.search(self.namePattern) is None: logger.error("Error processing line:\n%s\nAND: namePattern: %s is NOT matched" % (str(line), str(self.namePattern))) else: logger.debug("Parsed the Line") else: logger.debug("Skipping the Line") except Exception as err: logger.warning("unexpected Error: %s" % str(err)) finally: if postprocesslocations is not None: postprocesslocations.close() def _auto_remove(self): """ Remove called when job is removed as long as config option allows """ if self.lfn != '': self.remove(printInfo=False) @require_credential def remove(self, printInfo=True): """ Remove this lfn and all replicas from DIRAC LFC/SEs """ if self.lfn == "": raise GangaFileError('Can\'t remove a file from DIRAC SE without an LFN.') if printInfo: logger.info('Removing file %s' % self.lfn) else: logger.debug('Removing file %s' % self.lfn) stdout = execute('removeFile("%s")' % self.lfn, cred_req=self.credential_requirements) self.lfn = "" self.locations = [] self.guid = '' return True @require_credential def removeReplica(self, SE): """ Remove the replica from the given SE """ self.getReplicas() if SE not in self.locations: raise GangaFileError("No replica at supplied SE: %s" % SE) try: logger.info("Removing replica at %s for LFN %s" % (SE, self.lfn)) stdout = execute('removeReplica("%s", "%s")' % (self.lfn, SE), cred_req=self.credential_requirements) self.locations.remove(SE) except GangaDiracError as err: raise err return True @require_credential def getMetadata(self): """ Get Metadata associated with this files lfn. This method will also try to automatically set the files guid attribute. """ if self.lfn == "": self._optionallyUploadLocalFile() # check that it has a replica if not self.getReplicas(): raise GangaFileError("No replica found for this file!") # eval again here as datatime not included in dirac_ganga_server ret = execute('getMetadata("%s")' % self.lfn, cred_req=self.credential_requirements) if self.guid != ret.get('Successful',{}).get(self.lfn,{}).get('GUID',False): self.guid = ret['Successful'][self.lfn]['GUID'] reps = self.getReplicas() ret['Successful'][self.lfn].update({'replicas': self.locations}) return ret def _optionallyUploadLocalFile(self): """ """ if self.lfn != "": return if self.namePattern != "" and self.lfn == "": logger.info("I have a local DiracFile, however you're requesting it's location on the grid") logger.info("Shall I upload it to the grid before I continue?") decision = input('[y] / n:') while not (decision.lower() in ['y', 'n'] or decision.lower() == ''): decision = input('[y] / n:') if decision.lower() in ['y', '']: # upload namePattern to grid logger.debug("Uploading the file first") self.put() elif decision == 'n': logger.debug("Not uploading now") return else: # do Nothing logger.debug("Continuing without uploading file") if self.lfn == "": raise GangaFileError('Uploading of namePattern: %s failed' % self.namePattern) if self.namePattern == "" and self.lfn == "": raise GangaFileError('Cannot do anything if I don\'t have an lfn or a namePattern!') return @require_credential def getReplicas(self, forceRefresh=False): """ Get the list of all SE where this file has a replica This relies on an internally stored list of replicas, (SE and unless forceRefresh = True """ if self.lfn == '': self._optionallyUploadLocalFile() if self.lfn == '': raise GangaFileError("Can't find replicas for file which has no LFN!") these_replicas = None if len(self.subfiles) != 0: allReplicas = [] for i in self.subfiles: allReplicas.append(i.getReplicas()) these_replicas = allReplicas else: # deep copy just before wer change it incase we're pointing to the # data stored in original from a copy if self._have_copied: self._storedReplicas = copy.deepcopy(self._storedReplicas) if (self._storedReplicas == {} and len(self.subfiles) == 0) or forceRefresh: try: self._storedReplicas = execute('getReplicas("%s")' % self.lfn, cred_req=self.credential_requirements) except GangaDiracError as err: logger.error("Couldn't find replicas for: %s" % str(self.lfn)) self._storedReplicas = {} raise try: self._storedReplicas = self._storedReplicas['Successful'] except Exception as err: logger.error("Unknown Error: %s from %s" % (str(err), self._storedReplicas)) raise logger.debug("getReplicas: %s" % str(self._storedReplicas)) if self.lfn in self._storedReplicas: self._updateRemoteURLs(self._storedReplicas) these_replicas = [self._storedReplicas[self.lfn]] else: these_replicas = {} elif self._storedReplicas != {}: these_replicas = [self._storedReplicas[self.lfn]] return these_replicas def _updateRemoteURLs(self, reps): """ Internal function used for storing all replica information about this LFN at different sites """ if len(self.subfiles) != 0: for i in self.subfiles: i._updateRemoteURLs(reps) else: if self.lfn not in reps: return if self.locations != list(reps[self.lfn].keys()): self.locations = list(reps[self.lfn].keys()) #logger.debug( "locations: %s" % str( self.locations ) ) # deep copy just before wer change it incase we're pointing to the # data stored in original from a copy if self._have_copied: self._remoteURLs = copy.deepcopy(self._remoteURLs) for site in self.locations: #logger.debug( "site: %s" % str( site ) ) self._remoteURLs[site] = reps[self.lfn][site] #logger.debug("Adding _remoteURLs[site]: %s" % str(self._remoteURLs[site])) def location(self): """ Return a list of LFN locations for this DiracFile """ if len(self.subfiles) == 0: if self.lfn == "": self._optionallyUploadLocalFile() else: return [self.lfn] else: # 1 LFN per DiracFile LFNS = [] for this_file in self.subfiles: these_LFNs = this_file.location() for this_url in these_LFNs: LFNs.append(this_url) return LFNs @require_credential def accessURL(self, thisSE='', protocol=''): """ Attempt to find an accessURL which corresponds to the specified SE. If no SE is specified then return a random one from all the replicas. Also use the specified protocol - if none then use the default. """ lfns = [] if len(self.subfiles) == 0: lfns.append(self.lfn) else: for i in self.subfiles: lfns.append(i.lfn) return getAccessURLs(lfns, thisSE, protocol, self.credential_requirements) @require_credential def internalCopyTo(self, targetPath): """ Retrieves locally the file matching this DiracFile object pattern. If localPath is specified Args: targetPath(str): The path the file should be placed at locally """ to_location = targetPath if self.lfn == "": raise GangaFileError('Can\'t download a file without an LFN.') logger.info("Getting file %s" % self.lfn) stdout = execute('getFile("%s", destDir="%s")' % (self.lfn, to_location), cred_req=self.credential_requirements) if self.namePattern == "": name = os.path.basename(self.lfn) if self.compressed: name = name[:-3] self.namePattern = name if self.guid == "" or not self.locations: self.getMetadata() return True @require_credential def replicate(self, destSE, sourceSE=''): """ Replicate an LFN to another SE Args: destSE (str): the SE to replicate the file to sourceSE (str): the se to use as a cource for the file """ if not self.lfn: raise GangaFileError('Must supply an lfn to replicate') logger.info("Replicating file %s to %s" % (self.lfn, destSE)) stdout = execute('replicateFile("%s", "%s", "%s")' % (self.lfn, destSE, sourceSE), cred_req=self.credential_requirements) if destSE not in self.locations: self.locations.append(destSE) def processWildcardMatches(self): if regex.search(self.namePattern) is not None: raise GangaFileError("No wildcards in inputfiles for DiracFile just yet. Dirac are exposing this in API soon.") @require_credential def put(self, lfn='', force=False, uploadSE="", replicate=False): """ Try to upload file sequentially to storage elements defined in configDirac['allDiracSE']. File will be uploaded to the first SE that the upload command succeeds for. The file is uploaded to the SE described by the DiracFile.defaultSE attribute Alternatively, the user can specify an uploadSE which contains an SE which the file is to be uploaded to. If the user wants to replicate this file(s) across all SE then they should state replicate = True. Return value will be either the stdout from the dirac upload command if not using the wildcard characters '*?[]' in the namePattern. If the wildcard characters are used then the return value will be a list containing newly created DiracFile objects which were the result of glob-ing the wildcards. The objects in this list will have been uploaded or had their failureReason attribute populated if the upload failed. """ if self.lfn != "" and force == False and lfn == '': logger.warning("Warning you're about to 'put' this DiracFile: %s on the grid as it already has an lfn: %s" % (self.namePattern, self.lfn)) if (lfn != '' and self.lfn != '') and force == False: logger.warning("Warning you're attempting to put this DiracFile: %s" % self.namePattern) logger.warning("It currently has an LFN associated with it: %s" % self.lfn) logger.warning("Will continue and attempt to upload to: %s" % lfn) if lfn and os.path.basename(lfn) != self.namePattern: logger.warning("Changing namePattern from: '%s' to '%s' during put operation" % (self.namePattern, os.path.basename(lfn))) if lfn: self.lfn = lfn # looks like will only need this for the interactive uploading of jobs. # Also if any backend need dirac upload on client then when downloaded # this will upload then delete the file. if self.namePattern == "": if self.lfn != '': logger.warning("'Put'-ing a file with ONLY an existing LFN makes no sense!") raise GangaFileError('Can\'t upload a file without a local file name.') sourceDir = self.localDir if self.localDir is None: sourceDir = os.getcwd() # attached to a job, use the joboutputdir if self._parent is not None and os.path.isdir(self.getJobObject().outputdir): sourceDir = self.getJobObject().outputdir if not os.path.isdir(sourceDir): raise GangaFileError('localDir attribute is not a valid dir, don\'t know from which dir to take the file') if regex.search(self.namePattern) is not None: if self.lfn != "": logger.warning("Cannot specify a single lfn for a wildcard namePattern") logger.warning("LFN will be generated automatically") self.lfn = "" if not self.remoteDir: try: job = self.getJobObject() lfn_folder = os.path.join("GangaJob_%s" % job.getFQID('/'), "OutputFiles") except AssertionError: t = datetime.datetime.now() this_date = t.strftime("%H.%M_%A_%d_%B_%Y") lfn_folder = os.path.join('GangaFiles_%s' % this_date) lfn_base = os.path.join(DiracFile.diracLFNBase(self.credential_requirements), lfn_folder) else: lfn_base = os.path.join(DiracFile.diracLFNBase(self.credential_requirements), self.remoteDir) if uploadSE == "": if self.defaultSE != "": storage_elements = [self.defaultSE] else: if configDirac['allDiracSE']: trySEs = list(configDirac['allDiracSE']) random.shuffle(trySEs) storage_elements = None for se in trySEs: if execute('checkSEStatus("%s", "%s")' % (se, 'Write')): storage_elements = [se] break if not storage_elements: raise GangaFileError("No SE allowed for Write") else: raise GangaFileError("Can't upload a file without a valid defaultSE or storageSE, please provide one") elif isinstance(uploadSE, list): storage_elements = uploadSE else: storage_elements = [uploadSE] outputFiles = GangaList() for this_file in glob.glob(os.path.join(sourceDir, self.namePattern)): name = this_file if not os.path.exists(name): if not self.compressed: raise GangaFileError('Cannot upload file. File "%s" must exist!' % name) name += '.gz' if not os.path.exists(name): raise GangaFileError('File "%s" must exist!' % name) else: if self.compressed: os.system('gzip -c %s > %s.gz' % (name, name)) name += '.gz' if not os.path.exists(name): raise GangaFileError('File "%s" must exist!' % name) if lfn=='': lfn = os.path.join(lfn_base, os.path.basename(this_file)) if len(os.path.basename(lfn)) > 60: logger.warning('Filename is longer than 60 characters. This may cause problems with Dirac storage.') d = DiracFile() d.namePattern = os.path.basename(name) d.compressed = self.compressed d.localDir = sourceDir stderr = '' stdout = '' logger.info('Uploading file \'%s\' to \'%s\' as \'%s\'' % (name, storage_elements[0], lfn)) logger.debug('execute: uploadFile("%s", "%s", %s)' % (lfn, os.path.join(sourceDir, name), str([storage_elements[0]]))) try: stdout = execute('uploadFile("%s", "%s", %s)' % (lfn, os.path.join(sourceDir, name), str([storage_elements[0]])), cred_req=self.credential_requirements) except GangaDiracError as err: logger.warning("Couldn't upload file '%s': \'%s\'" % (os.path.basename(name), err)) failureReason = "Error in uploading file '%s' : '%s'" % (os.path.basename(name), err) if regex.search(self.namePattern) is not None: d.failureReason = failureReason outputFiles.append(d) continue self.failureReason += '\n' + failureReason continue stdout_temp = stdout.get('Successful') if not stdout_temp: msg = "Couldn't upload file '%s': \'%s\'" % (os.path.basename(name), stdout) logger.warning(msg) if regex.search(self.namePattern) is not None: d.failureReason = msg outputFiles.append(d) continue self.failureReason = msg continue else: lfn_out = stdout_temp[lfn] # when doing the two step upload delete the temp file if self.compressed or self._parent is not None: os.remove(name) # need another eval as datetime needs to be included. guid = lfn_out.get('GUID', '') if regex.search(self.namePattern) is not None: d.lfn = lfn d.remoteDir = os.path.dirname(lfn) d.locations = lfn_out.get('allDiracSE', '') d.guid = guid outputFiles.append(d) continue else: self.lfn = lfn self.remoteDir = os.path.dirname(lfn) self.locations = lfn_out.get('allDiracSE', '') self.guid = guid if replicate == True: if len(outputFiles) == 1 or len(outputFiles) == 0: storage_elements.pop(0) for se in storage_elements: self.replicate(se) else: storage_elements.pop(0) for this_file in outputFiles: for se in storage_elements: this_file.replicate(se) if len(outputFiles) > 0: return outputFiles else: outputFiles.append(self) return outputFiles def getWNScriptDownloadCommand(self, indent): script_location = os.path.join(os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe()))), 'downloadScript.py.template') download_script = FileUtils.loadScript(script_location, '') script = """\n download_script=b'''\n###DOWNLOAD_SCRIPT###''' import subprocess dirac_env=###DIRAC_ENV### subprocess.Popen('''python -c "import sys\nexec(sys.stdin.read())"''', shell=True, env=dirac_env, stdin=subprocess.PIPE).communicate(download_script) """ script = '\n'.join([ str(indent+str(line)) for line in script.split('\n')]) replace_dict = {'###DOWNLOAD_SCRIPT###' : download_script, '###DIRAC_ENV###' : self._getDiracEnvStr(), '###LFN###' : self.lfn} for k, v in replace_dict.items(): script = script.replace(str(k), str(v)) return script def _getDiracEnvStr(self): diracEnv = str(getDiracEnv(self.credential_requirements.dirac_env)) return diracEnv def _WN_wildcard_script(self, namePattern, lfnBase, compressed): wildcard_str = """ for f in glob.glob('###NAME_PATTERN###'): processes.append(uploadFile(os.path.basename(f), '###LFN_BASE###', ###COMPRESSED###, '###NAME_PATTERN###')) """ wildcard_str = FileUtils.indentScript(wildcard_str, '###INDENT###') replace_dict = { '###NAME_PATTERN###' : namePattern, '###LFN_BASE###' : lfnBase, '###COMPRESSED###' : compressed } for k, v in replace_dict.items(): wildcard_str = wildcard_str.replace(str(k), str(v)) return wildcard_str def getWNInjectedScript(self, outputFiles, indent, patternsToZip, postProcessLocationsFP): """ Returns script that have to be injected in the jobscript for postprocessing on the WN """ script_path = os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe()))) script_location = os.path.join( script_path, 'uploadScript.py.template') upload_script = FileUtils.loadScript(script_location, '') WNscript_location = os.path.join( script_path, 'WNInjectTemplate.py.template' ) script = FileUtils.loadScript(WNscript_location, '') if not self.remoteDir: try: job = self.getJobObject() lfn_folder = os.path.join("GangaJob_%s" % job.getFQID('.'), "OutputFiles") except AssertionError: t = datetime.datetime.now() this_date = t.strftime("%H.%M_%A_%d_%B_%Y") lfn_folder = os.path.join('GangaFiles_%s' % this_date) lfn_base = os.path.join(DiracFile.diracLFNBase(self.credential_requirements), lfn_folder) else: lfn_base = os.path.join(DiracFile.diracLFNBase(self.credential_requirements), self.remoteDir) for this_file in outputFiles: isCompressed = this_file.namePattern in patternsToZip if not regex.search(this_file.namePattern) is None: script += self._WN_wildcard_script(this_file.namePattern, lfn_base, str(isCompressed)) else: script += '###INDENT###print("Uploading: %s as: %s")\n' % (this_file.namePattern, str(os.path.join(lfn_base, this_file.namePattern))) script += '###INDENT###processes.append(uploadFile("%s", "%s", %s))\n' % (this_file.namePattern, lfn_base, str(isCompressed)) if stripProxy(self)._parent is not None and stripProxy(self).getJobObject() and getName(stripProxy(self).getJobObject().backend) != 'Dirac': script_env = self._getDiracEnvStr() else: script_env = str(None) script = '\n'.join([str('###INDENT###' + str(line)) for line in script.split('\n')]) replace_dict = {'###UPLOAD_SCRIPT###' : upload_script, '###STORAGE_ELEMENTS###' : str(configDirac['allDiracSE']), '###INDENT###' : indent, '###LOCATIONSFILE###' : postProcessLocationsFP, '###DIRAC_ENV###' : script_env} for k, v in replace_dict.items(): script = script.replace(str(k), str(v)) return script def hasMatchedFiles(self): if self.lfn != "" and self.namePattern != "": if self.namePattern == os.path.basename(self.lfn): return True else: logger.error("LFN doesn't match namePattern for file: %s" % str(self.namePattern)) return False elif len(self.subfiles) > 0 and regex.search(self.namePattern) is not None: return True else: logger.error("Failed to Match file:\n%s" % str(self)) return False @staticmethod def diracLFNBase(credential_requirements): """ Compute a sensible default LFN base name If ``DiracLFNBase`` has been defined, use that. Otherwise, construct one from the user name and the user VO Args: credential_requirements (DiracProxy): This is the credential which governs how we should format the path """ if configDirac['DiracLFNBase']: return configDirac['DiracLFNBase'] user = DiracProxyInfo(credential_requirements).username return '/{0}/user/{1}/{2}'.format(configDirac['userVO'], user[0], user) # add DiracFile objects to the configuration scope (i.e. it will be # possible to write instatiate DiracFile() objects via config file) GangaCore.Utility.Config.config_scope['DiracFile'] = DiracFile exportToGPI('GangaDirac', GangaList, 'Classes')
ganga-devs/ganga
ganga/GangaDirac/Lib/Files/DiracFile.py
Python
gpl-3.0
39,137
[ "DIRAC" ]
b0c26460a6989291cd8c90f6997ea32faecc25c13b2a49f0b51d8c2379cb571e
import numpy as np from scipy import sparse from . import Mapper, _savecache from . import samplers class LineMapper(Mapper): @classmethod def _cache(cls, filename, subject, xfmname, **kwargs): from .. import db masks = [] xfm = db.get_xfm(subject, xfmname, xfmtype='coord') pia = db.get_surf(subject, "pia", merge=False, nudge=False) wm = db.get_surf(subject, "wm", merge=False, nudge=False) #iterate over hemispheres for (wpts, polys), (ppts, _) in zip(pia, wm): masks.append(cls._getmask(xfm(ppts), xfm(wpts), polys, xfm.shape, **kwargs)) _savecache(filename, masks[0], masks[1], xfm.shape) return cls(masks[0], masks[1], xfm.shape) @classmethod def _getmask(cls, pia, wm, polys, shape, npts=64, mp=True, **kwargs): valid = np.unique(polys) #vidx = np.nonzero(valid)[0] mapper = sparse.csr_matrix((len(pia), np.prod(shape))) for t in np.linspace(0, 1, npts+2)[1:-1]: i, j, data = cls.sampler(pia*t + wm*(1-t), shape) mapper = mapper + sparse.csr_matrix((data / npts, (i, j)), shape=mapper.shape) return mapper class LineNN(LineMapper): sampler = staticmethod(samplers.nearest) class LineTrilin(LineMapper): sampler = staticmethod(samplers.trilinear) class LineGauss(LineMapper): sampler = staticmethod(samplers.gaussian) class LineLanczos(LineMapper): sampler = staticmethod(samplers.lanczos)
CVML/pycortex
cortex/mapper/line.py
Python
bsd-2-clause
1,505
[ "Gaussian" ]
bb67b0f3a6b9807e6e9851f88c5f25ea7fb0561b1873dbed48190a6dcbe8e754
# Copyright (C) 2017,2018 # Max Planck Institute for Polymer Research # Copyright (C) 2016 # Jakub Krajniak (jkrajniak at gmail.com) # Copyright (C) 2012,2013,2014,2015 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ 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. # # ESPResSo++ 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/>. r""" ******************************** espressopp.interaction.Tabulated ******************************** .. function:: espressopp.interaction.Tabulated(itype, filename, cutoff) Defines a tabulated potential. :param itype: interpolation type (1,2, or 3 for linear, Akima, or cubic splines) :param filename: table filename :param cutoff: (default: infinity) interaction cutoff :type itype: int :type filename: string :type cutoff: real or "infinity" .. function:: espressopp.interaction.VerletListAdressTabulated(vl, fixedtupleList) Defines a verletlist-based AdResS interaction using tabulated potentials for both AT and CG interactions. :param vl: Verletlist AdResS object :param fixedtupleList: FixedTupleList object :type vl: shared_ptr<VerletListAdress> :type fixedtupleList: shared_ptr<FixedTupleListAdress> .. function:: espressopp.interaction.VerletListAdressTabulated.setPotentialAT(type1, type2, potential) Sets the AT potential in VerletListAdressTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListAdressTabulated.setPotentialCG(type1, type2, potential) Sets the CG potential in VerletListAdressTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListAdressCGTabulated(vl, fixedtupleList) Defines only the CG part of a verletlist-based AdResS interaction using a tabulated potential for the CG interaction. It's defined as a "NonbondedSlow" interaction (which multiple time stepping integrators can make use of). :param vl: Verletlist AdResS object :param fixedtupleList: FixedTupleList object :type vl: shared_ptr<VerletListAdress> :type fixedtupleList: shared_ptr<FixedTupleListAdress> .. function:: espressopp.interaction.VerletListAdressCGTabulated.setPotential(type1, type2, potential) Sets the CG potential in VerletListAdressCGTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListAdressCGTabulated.getPotential(type1, type2) Gets the CG potential in VerletListAdressCGTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :type type1: int :type type2: int :rtype: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListAdressCGTabulated.getVerletList() Gets the verletlist used in VerletListAdressCGTabulated interaction. :rtype: shared_ptr<VerletListAdress> .. function:: espressopp.interaction.VerletListHadressTabulated(vl, fixedtupleList) Defines a verletlist-based H-AdResS interaction using tabulated potentials for both AT and CG interactions. :param vl: Verletlist AdResS object :param fixedtupleList: FixedTupleList object :type vl: shared_ptr<VerletListAdress> :type fixedtupleList: shared_ptr<FixedTupleListAdress> .. function:: espressopp.interaction.VerletListHadressTabulated.setPotentialAT(type1, type2, potential) Sets the AT potential in VerletListHadressTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListHadressTabulated.setPotentialCG(type1, type2, potential) Sets the CG potential in VerletListHadressTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListHadressCGTabulated(vl, fixedtupleList) Defines only the CG part of a verletlist-based H-AdResS interaction using a tabulated potential for the CG interaction. It's defined as a "NonbondedSlow" interaction (which multiple time stepping integrators can make use of). :param vl: Verletlist AdResS object :param fixedtupleList: FixedTupleList object :type vl: shared_ptr<VerletListAdress> :type fixedtupleList: shared_ptr<FixedTupleListAdress> .. function:: espressopp.interaction.VerletListHadressCGTabulated.setPotential(type1, type2, potential) Sets the CG potential in VerletListHadressCGTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListHadressCGTabulated.getPotential(type1, type2) Gets the CG potential in VerletListHadressCGTabulated interaction for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :type type1: int :type type2: int :rtype: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListHadressCGTabulated.getVerletList() Gets the verletlist used in VerletListHadressCGTabulated interaction. :rtype: shared_ptr<VerletListAdress> .. function:: espressopp.interaction.VerletListTabulated(vl) Defines a verletlist-based interaction using a tabulated potential. :param vl: Verletlist object :type vl: shared_ptr<VerletList> .. function:: espressopp.interaction.VerletListTabulated.getPotential(type1, type2) Gets the tabulated interaction potential in VerletListTabulated for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :type type1: int :type type2: int :rtype: shared_ptr<Tabulated> .. function:: espressopp.interaction.VerletListTabulated.setPotential(type1, type2, potential) Sets the tabulated interaction potential in VerletListTabulated for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.CellListTabulated(stor) Defines a CellList-based interaction using a tabulated potential. :param stor: storage object :type stor: shared_ptr <storage::Storage> .. function:: espressopp.interaction.CellListTabulated.setPotential(type1, type2, potential) Sets the tabulated interaction potential in CellListTabulated for interacting particles of type1 and type2. :param type1: particle type 1 :param type2: particle type 2 :param potential: tabulated interaction potential object :type type1: int :type type2: int :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.FixedPairListTabulated(system, vl, potential) Defines a FixedPairList-based interaction using a tabulated potential. :param system: system object :param vl: FixedPairList list object :param potential: tabulated potential object :type system: shared_ptr<System> :type vl: shared_ptr<FixedPairList> :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.FixedPairListTabulated.setPotential(potential) Sets the tabulated interaction potential in FixedPairListTabulated for interacting particles. :param potential: tabulated potential object :type potential: shared_ptr<Tabulated> .. function:: espressopp.interaction.FixedPairListTypesTabulated(system, fpl) :param system: The Espresso++ system object. :type system: espressopp.System :param fpl: The FixedPairList. :type fpl: espressopp.FixedPairList .. function:: espressopp.interaction.FixedPairListTypesTabulated.setPotential(type1, type2, potential) Defines bond potential for interaction between particles of types type1-type2-type3. :param type1: Type of particle 1. :type type1: int :param type2: Type of particle 2. :type type2: int :param potential: The potential to set up. :type potential: espressopp.interaction.Potential .. function:: espressopp.interaction.FixedPairListPIadressTabulated(system, fpl, fixedtupleList, potential, ntrotter, speedup) Defines tabulated bonded pair potential for interactions based on the fixedtuplelist in the context of Path Integral AdResS. When the speedup flag is set, it will use only the centroids in the classical region, otherwise all Trotter beads. In the quantum region, always all Trotter beads are used. :param system: The Espresso++ system object. :param fpl: The FixedPairList. :param fixedtupleList: The FixedTupleListAdress object. :param potential: The potential. :param ntrotter: The Trotter number. :param speedup: Boolean flag to decide whether to use centroids in classical region or all Trotter beads :type system: espressopp.System :type fpl: espressopp.FixedPairList :type fixedtupleList: espressopp.FixedTupleListAdress :type potential: espressopp.interaction.Potential :type ntrotter: int :type speedup: bool .. function:: espressopp.interaction.FixedPairListPIadressTabulated.setPotential(potential) Sets the potential. :param potential: The potential object. :type potential: espressopp.interaction.Potential .. function:: espressopp.interaction.FixedPairListPIadressTabulated.getPotential() Gets the potential. :return: the potential :rtype: shared_ptr < Potential > .. function:: espressopp.interaction.FixedPairListPIadressTabulated.setFixedPairList(fpl) Sets the FixedPairList. :param fpl: The FixedPairList object. :type fpl: espressopp.FixedPairList .. function:: espressopp.interaction.FixedPairListPIadressTabulated.getFixedPairList() Gets the FixedPairList. :return: the FixedPairList :rtype: shared_ptr < FixedPairList > .. function:: espressopp.interaction.FixedPairListPIadressTabulated.setFixedTupleList(fixedtupleList) Sets the FixedTupleList. :param fixedtupleList: The FixedTupleListAdress object. :type fixedtupleList: espressopp.FixedTupleListAdress .. function:: espressopp.interaction.FixedPairListPIadressTabulated.getFixedTupleList() Gets the FixedTupleList. :return: the FixedTupleList :rtype: shared_ptr < FixedTupleListAdress > .. function:: espressopp.interaction.FixedPairListPIadressTabulated.setNTrotter(ntrotter) Sets the Trotter number NTrotter. :param ntrotter: The Trotter number. :type ntrotter: int .. function:: espressopp.interaction.FixedPairListPIadressTabulated.getNTrotter() Gets the Trotter number NTrotter. :param ntrotter: The Trotter number. :type ntrotter: int .. function:: espressopp.interaction.FixedPairListPIadressTabulated.setSpeedup(speedup) Sets the speedup flag. :param speedup: The speedup flag. :type speedup: bool .. function:: espressopp.interaction.FixedPairListPIadressTabulated.getSpeedup() Gets the speedup flag. :return: the speedup flag :rtype: bool .. function:: espressopp.interaction.VerletListPIadressTabulated(vl, fixedtupleList, ntrotter, speedup) Defines a non-bonded interaction using an adaptive resolution VerletList in the context of Path Integral AdResS. Two different tabulated potentials can be specified: one, which is used in the quantum region, the other one in the classical region. The interpolation proceeds according to the Path Integral AdResS scheme (see J. Chem. Phys 147, 244104 (2017)). When the speedup flag is set,it will use only the centroids in the classical region, otherwise all Trotter beads. In the quantum region, always all Trotter beads are used. :param vl: The AdResS VerletList. :param fixedtupleList: The FixedTupleListAdress object. :param ntrotter: The Trotter number. :param speedup: Boolean flag to decide whether to use centroids in classical region or all Trotter beads :type vl: espressopp.VerletListAdress :type fixedtupleList: espressopp.FixedTupleListAdress :type ntrotter: int :type speedup: bool .. function:: espressopp.interaction.VerletListPIadressTabulated.setPotentialQM(potential) Sets the potential for the quantum region (has to be a tabulated one). :param potential: The potential object. :type potential: espressopp.interaction.Potential .. function:: espressopp.interaction.VerletListPIadressTabulated.setPotentialCL(potential) Sets the potential for the classical region (has to be a tabulated one). :param potential: The potential object. :type potential: espressopp.interaction.Potential .. function:: espressopp.interaction.VerletListPIadressTabulated.setVerletList(vl) Sets the VerletList. :param vl: The VerletListAdress object. :type vl: espressopp.VerletListAdress .. function:: espressopp.interaction.VerletListPIadressTabulated.getVerletList() Gets the VerletList. :return: the Adress VerletList :rtype: shared_ptr<VerletListAdress> .. function:: espressopp.interaction.VerletListPIadressTabulated.setFixedTupleList(fixedtupleList) Sets the FixedTupleList. :param fixedtupleList: The FixedTupleListAdress object. :type fixedtupleList: espressopp.FixedTupleListAdress .. function:: espressopp.interaction.VerletListPIadressTabulated.getFixedTupleList() Gets the FixedTupleList. :return: the FixedTupleList :rtype: shared_ptr < FixedTupleListAdress > .. function:: espressopp.interaction.VerletListPIadressTabulated.setNTrotter(ntrotter) Sets the Trotter number NTrotter. :param ntrotter: The Trotter number. :type ntrotter: int .. function:: espressopp.interaction.VerletListPIadressTabulated.getNTrotter() Gets the Trotter number NTrotter. :return: the Trotter number :rtype: int .. function:: espressopp.interaction.VerletListPIadressTabulated.setSpeedup(speedup) Sets the speedup flag. :param speedup: The speedup flag. :type speedup: bool .. function:: espressopp.interaction.VerletListPIadressTabulated.getSpeedup() Gets the speedup flag. :return: the speedup flag :rtype: bool .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ(vl, fixedtupleList, ntrotter, speedup) Defines a non-bonded interaction using an adaptive resolution VerletList in the context of Path Integral AdResS. Two different potentials can be specified: one, which is used in the quantum region (tabulated), the other one in the classical region (Lennard-Jones type). The interpolation proceeds according to the Path Integral AdResS scheme (see J. Chem. Phys 147, 244104 (2017)). When the speedup flag is set,it will use only the centroids in the classical region, otherwise all Trotter beads. In the quantum region, always all Trotter beads are used. :param vl: The AdResS VerletList. :param fixedtupleList: The FixedTupleListAdress object. :param ntrotter: The Trotter number. :param speedup: Boolean flag to decide whether to use centroids in classical region or all Trotter beads :type vl: espressopp.VerletListAdress :type fixedtupleList: espressopp.FixedTupleListAdress :type ntrotter: int :type speedup: bool .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.setPotentialQM(potential) Sets the potential for the quantum region (has to be a tabulated one). :param potential: The potential object. :type potential: espressopp.interaction.Potential .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.setPotentialCL(potential) Sets the potential for the classical region (has to be a Lennard-Jones type one). :param potential: The potential object. :type potential: espressopp.interaction.Potential .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.setVerletList(vl) Sets the VerletList. :param vl: The VerletListAdress object. :type vl: espressopp.VerletListAdress .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.getVerletList() Gets the VerletList. :return: the Adress VerletList :rtype: shared_ptr<VerletListAdress> .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.setFixedTupleList(fixedtupleList) Sets the FixedTupleList. :param fixedtupleList: The FixedTupleListAdress object. :type fixedtupleList: espressopp.FixedTupleListAdress .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.getFixedTupleList() Gets the FixedTupleList. :return: the FixedTupleList :rtype: shared_ptr < FixedTupleListAdress > .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.setNTrotter(ntrotter) Sets the Trotter number NTrotter. :param ntrotter: The Trotter number. :type ntrotter: int .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.getNTrotter() Gets the Trotter number NTrotter. :return: the Trotter number :rtype: int .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.setSpeedup(speedup) Sets the speedup flag. :param speedup: The speedup flag. :type speedup: bool .. function:: espressopp.interaction.VerletListPIadressTabulatedLJ.getSpeedup() Gets the speedup flag. :return: the speedup flag :rtype: bool .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated(vl, fixedtupleList, ntrotter, speedup) Defines a non-bonded interaction using an adaptive resolution VerletList in the context of Path Integral AdResS. One tabulated potential can be specified, which is used thoughout the whole system. Hence, only the quantumness of the particles changes, but not the forcefield (see J. Chem. Phys 147, 244104 (2017)). When the speedup flag is set,it will use only the centroids in the classical region, otherwise all Trotter beads. In the quantum region, always all Trotter beads are used. :param vl: The AdResS VerletList. :param fixedtupleList: The FixedTupleListAdress object. :param ntrotter: The Trotter number. :param speedup: Boolean flag to decide whether to use centroids in classical region or all Trotter beads :type vl: espressopp.VerletListAdress :type fixedtupleList: espressopp.FixedTupleListAdress :type ntrotter: int :type speedup: bool .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.setPotential(potential) Sets the potential which is used throughout the whole system (has to be a tabulated one). :param potential: The potential object. :type potential: espressopp.interaction.Potential .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.setVerletList(vl) Sets the VerletList. :param vl: The VerletListAdress object. :type vl: espressopp.VerletListAdress .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.getVerletList() Gets the VerletList. :return: the Adress VerletList :rtype: shared_ptr<VerletListAdress> .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.setFixedTupleList(fixedtupleList) Sets the FixedTupleList. :param fixedtupleList: The FixedTupleListAdress object. :type fixedtupleList: espressopp.FixedTupleListAdress .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.getFixedTupleList() Gets the FixedTupleList. :return: the FixedTupleList :rtype: shared_ptr < FixedTupleListAdress > .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.setNTrotter(ntrotter) Sets the Trotter number NTrotter. :param ntrotter: The Trotter number. :type ntrotter: int .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.getNTrotter() Gets the Trotter number NTrotter. :return: the Trotter number :rtype: int .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.setSpeedup(speedup) Sets the speedup flag. :param speedup: The speedup flag. :type speedup: bool .. function:: espressopp.interaction.VerletListPIadressNoDriftTabulated.getSpeedup() Gets the speedup flag. :return: the speedup flag :rtype: bool """ # -*- coding: iso-8859-1 -*- from espressopp import pmi, infinity from espressopp.esutil import * from espressopp.interaction.Potential import * from espressopp.interaction.Interaction import * from _espressopp import interaction_Tabulated, \ interaction_VerletListTabulated, \ interaction_VerletListAdressTabulated, \ interaction_VerletListAdressCGTabulated, \ interaction_VerletListHadressTabulated, \ interaction_VerletListHadressCGTabulated, \ interaction_VerletListPIadressTabulated, \ interaction_VerletListPIadressTabulatedLJ, \ interaction_VerletListPIadressNoDriftTabulated, \ interaction_CellListTabulated, \ interaction_FixedPairListTabulated, \ interaction_FixedPairListTypesTabulated, \ interaction_FixedPairListPIadressTabulated class TabulatedLocal(PotentialLocal, interaction_Tabulated): def __init__(self, itype, filename, cutoff=infinity): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_Tabulated, itype, filename, cutoff) class VerletListAdressCGTabulatedLocal(InteractionLocal, interaction_VerletListAdressCGTabulated): def __init__(self, vl, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListAdressCGTabulated, vl, fixedtupleList) def setPotential(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, type1, type2, potential) def getPotential(self, type1, type2): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getPotential(self, type1, type2) def getVerletListLocal(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getVerletList(self) class VerletListAdressTabulatedLocal(InteractionLocal, interaction_VerletListAdressTabulated): def __init__(self, vl, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListAdressTabulated, vl, fixedtupleList) def setPotentialAT(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialAT(self, type1, type2, potential) def setPotentialCG(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialCG(self, type1, type2, potential) class VerletListHadressCGTabulatedLocal(InteractionLocal, interaction_VerletListHadressCGTabulated): def __init__(self, vl, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListHadressCGTabulated, vl, fixedtupleList) def setPotential(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, type1, type2, potential) def getPotential(self, type1, type2): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getPotential(self, type1, type2) def getVerletListLocal(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getVerletList(self) class VerletListHadressTabulatedLocal(InteractionLocal, interaction_VerletListHadressTabulated): def __init__(self, vl, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListHadressTabulated, vl, fixedtupleList) def setPotentialAT(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialAT(self, type1, type2, potential) def setPotentialCG(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialCG(self, type1, type2, potential) class VerletListPIadressTabulatedLocal(InteractionLocal, interaction_VerletListPIadressTabulated): def __init__(self, vl, fixedtupleList, ntrotter, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListPIadressTabulated, vl, fixedtupleList, ntrotter, speedup) def setPotentialQM(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialQM(self, type1, type2, potential) def setPotentialCL(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialCL(self, type1, type2, potential) def setVerletList(self, vl): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setVerletList(self, vl) def getVerletList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getVerletList(self) def setFixedTupleList(self, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setFixedTupleList(self, fixedtupleList) def getFixedTupleList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getFixedTupleList(self) def setNTrotter(self, ntrotter): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setNTrotter(self, ntrotter) def getNTrotter(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getNTrotter(self) def setSpeedup(self, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setSpeedup(self, speedup) def getSpeedup(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getSpeedup(self) class VerletListPIadressTabulatedLJLocal(InteractionLocal, interaction_VerletListPIadressTabulatedLJ): def __init__(self, vl, fixedtupleList, ntrotter, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListPIadressTabulatedLJ, vl, fixedtupleList, ntrotter, speedup) def setPotentialQM(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialQM(self, type1, type2, potential) def setPotentialCL(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotentialCL(self, type1, type2, potential) def setVerletList(self, vl): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setVerletList(self, vl) def getVerletList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getVerletList(self) def setFixedTupleList(self, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setFixedTupleList(self, fixedtupleList) def getFixedTupleList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getFixedTupleList(self) def setNTrotter(self, ntrotter): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setNTrotter(self, ntrotter) def getNTrotter(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getNTrotter(self) def setSpeedup(self, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setSpeedup(self, speedup) def getSpeedup(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getSpeedup(self) class VerletListPIadressNoDriftTabulatedLocal(InteractionLocal, interaction_VerletListPIadressNoDriftTabulated): def __init__(self, vl, fixedtupleList, ntrotter, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListPIadressNoDriftTabulated, vl, fixedtupleList, ntrotter, speedup) def setPotential(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, type1, type2, potential) def setVerletList(self, vl): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setVerletList(self, vl) def getVerletList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getVerletList(self) def setFixedTupleList(self, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setFixedTupleList(self, fixedtupleList) def getFixedTupleList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getFixedTupleList(self) def setNTrotter(self, ntrotter): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setNTrotter(self, ntrotter) def getNTrotter(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getNTrotter(self) def setSpeedup(self, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setSpeedup(self, speedup) def getSpeedup(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getSpeedup(self) class VerletListTabulatedLocal(InteractionLocal, interaction_VerletListTabulated): def __init__(self, vl): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_VerletListTabulated, vl) def setPotential(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, type1, type2, potential) def getPotential(self, type1, type2): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getPotential(self, type1, type2) class CellListTabulatedLocal(InteractionLocal, interaction_CellListTabulated): def __init__(self, stor): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_CellListTabulated, stor) def setPotential(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, type1, type2, potential) class FixedPairListTabulatedLocal(InteractionLocal, interaction_FixedPairListTabulated): def __init__(self, system, vl, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_FixedPairListTabulated, system, vl, potential) def setPotential(self, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, potential) class FixedPairListTypesTabulatedLocal(InteractionLocal, interaction_FixedPairListTypesTabulated): def __init__(self, system, vl): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_FixedPairListTypesTabulated, system, vl) def setPotential(self, type1, type2, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, type1, type2, potential) def getPotential(self, type1, type2): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getPotential(self, type1, type2) def setFixedPairList(self, fixedpairlist): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setFixedPairList(self, fixedpairlist) def getFixedPairList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getFixedPairList(self) class FixedPairListPIadressTabulatedLocal(InteractionLocal, interaction_FixedPairListPIadressTabulated): def __init__(self, system, fpl, fixedtupleList, potential, ntrotter, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): cxxinit(self, interaction_FixedPairListPIadressTabulated, system, fpl, fixedtupleList, potential, ntrotter, speedup) def setPotential(self, potential): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setPotential(self, potential) def getPotential(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getPotential(self) def setFixedPairList(self, fpl): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setFixedPairList(self, fpl) def getFixedPairList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): return self.cxxclass.getFixedPairList(self) def setFixedTupleList(self, fixedtupleList): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setFixedTupleList(self, fixedtupleList) def getFixedTupleList(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getFixedTupleList(self) def setNTrotter(self, ntrotter): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setNTrotter(self, ntrotter) def getNTrotter(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getNTrotter(self) def setSpeedup(self, speedup): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.setSpeedup(self, speedup) def getSpeedup(self): if not (pmi._PMIComm and pmi._PMIComm.isActive()) or pmi._MPIcomm.rank in pmi._PMIComm.getMPIcpugroup(): self.cxxclass.getSpeedup(self) if pmi.isController: class Tabulated(Potential): 'The Tabulated potential.' pmiproxydefs = dict( cls = 'espressopp.interaction.TabulatedLocal', pmiproperty = ['itype', 'filename', 'cutoff'] ) class VerletListAdressCGTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListAdressCGTabulatedLocal', pmicall = ['setPotential', 'getPotential', 'getVerletList'] ) class VerletListAdressTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListAdressTabulatedLocal', pmicall = ['setPotentialAT', 'setPotentialCG'] ) class VerletListHadressCGTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListHadressCGTabulatedLocal', pmicall = ['setPotential', 'getPotential', 'getVerletList'] ) class VerletListHadressTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListHadressTabulatedLocal', pmicall = ['setPotentialAT', 'setPotentialCG'] ) class VerletListPIadressTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListPIadressTabulatedLocal', pmicall = ['setPotentialQM','setPotentialCL','setVerletList', 'getVerletList', 'setFixedTupleList', 'getFixedTupleList', 'setNTrotter', 'getNTrotter', 'setSpeedup', 'getSpeedup'] ) class VerletListPIadressTabulatedLJ(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListPIadressTabulatedLJLocal', pmicall = ['setPotentialQM','setPotentialCL','setVerletList', 'getVerletList', 'setFixedTupleList', 'getFixedTupleList', 'setNTrotter', 'getNTrotter', 'setSpeedup', 'getSpeedup'] ) class VerletListPIadressNoDriftTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListPIadressNoDriftTabulatedLocal', pmicall = ['setPotential','setVerletList', 'getVerletList', 'setFixedTupleList', 'getFixedTupleList', 'setNTrotter', 'getNTrotter', 'setSpeedup', 'getSpeedup'] ) class VerletListTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.VerletListTabulatedLocal', pmicall = ['setPotential','getPotential'] ) class CellListTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.CellListTabulatedLocal', pmicall = ['setPotential'] ) class FixedPairListTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.FixedPairListTabulatedLocal', pmicall = ['setPotential', 'setFixedPairList', 'getFixedPairList'] ) class FixedPairListTypesTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.FixedPairListTypesTabulatedLocal', pmicall = ['setPotential','getPotential','setFixedPairList','getFixedPairList'] ) class FixedPairListPIadressTabulated(Interaction): __metaclass__ = pmi.Proxy pmiproxydefs = dict( cls = 'espressopp.interaction.FixedPairListPIadressTabulatedLocal', pmicall = ['setPotential', 'getPotential', 'setFixedPairList', 'getFixedPairList', 'setFixedTupleList', 'getFixedTupleList', 'setNTrotter', 'getNTrotter', 'setSpeedup', 'getSpeedup'] )
kkreis/espressopp
src/interaction/Tabulated.py
Python
gpl-3.0
44,792
[ "ESPResSo" ]
74ef8f8b45d1134baf4b2239f22854bda2c312b0322ed1dec9d586b65a8ccce0
# Orca # # Copyright 2016 Igalia, S.L. # Author: Joanmarie Diggs <jdiggs@igalia.com> # # This library 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 2.1 of the License, or (at your option) any later version. # # This library 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 library; if not, write to the # Free Software Foundation, Inc., Franklin Street, Fifth Floor, # Boston MA 02110-1301 USA. __id__ = "$Id$" __version__ = "$Revision$" __date__ = "$Date$" __copyright__ = "Copyright (c) 2016 Igalia, S.L." __license__ = "LGPL" from orca import debug from orca import orca from orca import orca_state from orca.scripts import default from .braille_generator import BrailleGenerator from .speech_generator import SpeechGenerator from .script_utilities import Utilities class Script(default.Script): def __init__(self, app): super().__init__(app) self.presentIfInactive = False def deactivate(self): """Called when this script is deactivated.""" self.utilities.clearCache() super().deactivate() def getBrailleGenerator(self): """Returns the braille generator for this script.""" return BrailleGenerator(self) def getSpeechGenerator(self): """Returns the speech generator for this script.""" return SpeechGenerator(self) def getUtilities(self): """Returns the utilites for this script.""" return Utilities(self) def onFocus(self, event): """Callback for focus: accessibility events.""" # https://bugzilla.gnome.org/show_bug.cgi?id=748311 orca.setLocusOfFocus(event, event.source) def onTextDeleted(self, event): """Callback for object:text-changed:delete accessibility events.""" if self.utilities.treatEventAsNoise(event): msg = "TERMINAL: Deletion is believed to be noise" debug.println(debug.LEVEL_INFO, msg, True) return super().onTextDeleted(event) def onTextInserted(self, event): """Callback for object:text-changed:insert accessibility events.""" if not self.utilities.treatEventAsCommand(event): msg = "TERMINAL: Passing along event to default script." debug.println(debug.LEVEL_INFO, msg, True) super().onTextInserted(event) return msg = "TERMINAL: Insertion is believed to be due to terminal command" debug.println(debug.LEVEL_INFO, msg, True) self.updateBraille(event.source) newString = self.utilities.insertedText(event) if len(newString) == 1: self.speakCharacter(newString) else: voice = self.speechGenerator.voice(obj=event.source, string=newString) self.speakMessage(newString, voice=voice) if self.flatReviewContext: return try: text = event.source.queryText() except: pass else: self._saveLastCursorPosition(event.source, text.caretOffset) self.utilities.updateCachedTextSelection(event.source) def presentKeyboardEvent(self, event): if orca_state.learnModeEnabled or not event.isPrintableKey(): return super().presentKeyboardEvent(event) if event.isPressedKey(): return False self._sayAllIsInterrupted = False self.utilities.clearCachedCommandState() if event.shouldEcho == False or event.isOrcaModified() or event.isCharacterEchoable(): return False # We have no reliable way of knowing a password is being entered into # a terminal -- other than the fact that the text typed isn't there. try: text = event.getObject().queryText() offset = text.caretOffset prevChar = text.getText(offset - 1, offset) char = text.getText(offset, offset + 1) except: return False string = event.event_string if string not in [prevChar, "space", char]: return False msg = "TERMINAL: Presenting keyboard event %s" % string debug.println(debug.LEVEL_INFO, msg, True) self.speakKeyEvent(event) return True def skipObjectEvent(self, event): if event.type == "object:text-changed:insert": return False newEvent, newTime = None, 0 if event.type == "object:text-changed:delete": if self.utilities.isBackSpaceCommandTextDeletionEvent(event): return False newEvent, newTime = self.eventCache.get("object:text-changed:insert", [None, 0]) if newEvent is None or newEvent.source != event.source: return super().skipObjectEvent(event) if event.detail1 != newEvent.detail1: return False data = "\n%s%s" % (" " * 11, str(newEvent).replace("\t", " " * 11)) msg = "TERMINAL: Skipping due to more recent event at offset%s" % data debug.println(debug.LEVEL_INFO, msg, True) return True
GNOME/orca
src/orca/scripts/terminal/script.py
Python
lgpl-2.1
5,468
[ "ORCA" ]
e104f1a4804ee92a06573e2ad5be2b031d3ad8b6490f8f1c2afa84387fd5b7f9
from __future__ import absolute_import, division, print_function # ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # ---------------------------------------------------------------------------- import numpy as np from skbio.stats.distance import DistanceMatrix from skbio.tree import TreeNode def nj(dm, disallow_negative_branch_length=True, result_constructor=None): """ Apply neighbor joining for phylogenetic reconstruction. Parameters ---------- dm : skbio.DistanceMatrix Input distance matrix containing distances between OTUs. disallow_negative_branch_length : bool, optional Neighbor joining can result in negative branch lengths, which don't make sense in an evolutionary context. If `True`, negative branch lengths will be returned as zero, a common strategy for handling this issue that was proposed by the original developers of the algorithm. result_constructor : function, optional Function to apply to construct the result object. This must take a newick-formatted string as input. The result of applying this function to a newick-formatted string will be returned from this function. This defaults to ``TreeNode.from_newick``. Returns ------- TreeNode By default, the result object is a `TreeNode`, though this can be overridden by passing `result_constructor`. See Also -------- TreeNode.root_at_midpoint Notes ----- Neighbor joining was initially described in Saitou and Nei (1987) [1]_. The example presented here is derived from the Wikipedia page on neighbor joining [2]_. The Phylip manual also describes the method [3]_ and Phylip itself provides an implementation which is useful for comparison. Neighbor joining, by definition, creates unrooted trees. One strategy for rooting the resulting trees is midpoint rooting, which is accessible as ``TreeNode.root_at_midpoint``. References ---------- .. [1] Saitou N, and Nei M. (1987) "The neighbor-joining method: a new method for reconstructing phylogenetic trees." Molecular Biology and Evolution. PMID: 3447015. .. [2] http://en.wikipedia.org/wiki/Neighbour_joining .. [3] http://evolution.genetics.washington.edu/phylip/doc/neighbor.html Examples -------- Define a new distance matrix object describing the distances between five OTUs: a, b, c, d, and e. >>> from skbio import DistanceMatrix >>> from skbio.tree import nj >>> data = [[0, 5, 9, 9, 8], ... [5, 0, 10, 10, 9], ... [9, 10, 0, 8, 7], ... [9, 10, 8, 0, 3], ... [8, 9, 7, 3, 0]] >>> ids = list('abcde') >>> dm = DistanceMatrix(data, ids) Contstruct the neighbor joining tree representing the relationship between those OTUs. This is returned as a TreeNode object. >>> tree = nj(dm) >>> print(tree.ascii_art()) /-d | | /-c |---------| ---------| | /-b | \--------| | \-a | \-e Again, construct the neighbor joining tree, but instead return the newick string representing the tree, rather than the TreeNode object. (Note that in this example the string output is truncated when printed to facilitate rendering.) >>> newick_str = nj(dm, result_constructor=str) >>> print(newick_str[:55], "...") (d:2.000000, (c:4.000000, (b:3.000000, a:2.000000):3.00 ... """ if dm.shape[0] < 3: raise ValueError( "Distance matrix must be at least 3x3 to " "generate a neighbor joining tree.") if result_constructor is None: result_constructor = TreeNode.from_newick # initialize variables node_definition = None # while there are still more than three distances in the distance matrix, # join neighboring nodes. while(dm.shape[0] > 3): # compute the Q matrix q = _compute_q(dm) # identify the pair of nodes that have the lowest Q value. if multiple # pairs have equally low Q values, the first pair identified (closest # to the top-left of the matrix) will be chosen. these will be joined # in the current node. idx1, idx2 = _lowest_index(q) pair_member_1 = dm.ids[idx1] pair_member_2 = dm.ids[idx2] # determine the distance of each node to the new node connecting them. pair_member_1_len, pair_member_2_len = _pair_members_to_new_node( dm, idx1, idx2, disallow_negative_branch_length) # define the new node in newick style node_definition = "(%s:%f, %s:%f)" % (pair_member_1, pair_member_1_len, pair_member_2, pair_member_2_len) # compute the new distance matrix, which will contain distances of all # other nodes to this new node dm = _compute_collapsed_dm( dm, pair_member_1, pair_member_2, disallow_negative_branch_length=disallow_negative_branch_length, new_node_id=node_definition) # When there are three distances left in the distance matrix, we have a # fully defined tree. The last node is internal, and its distances are # defined by these last three values. # First determine the distance between the last two nodes to be joined in # a pair... pair_member_1 = dm.ids[1] pair_member_2 = dm.ids[2] pair_member_1_len, pair_member_2_len = \ _pair_members_to_new_node(dm, pair_member_1, pair_member_2, disallow_negative_branch_length) # ...then determine their distance to the other remaining node, but first # handle the trival case where the input dm was only 3 x 3 node_definition = node_definition or dm.ids[0] internal_len = _otu_to_new_node( dm, pair_member_1, pair_member_2, node_definition, disallow_negative_branch_length=disallow_negative_branch_length) # ...and finally create the newick string describing the whole tree. newick = "(%s:%f, %s:%f, %s:%f);" % (pair_member_1, pair_member_1_len, node_definition, internal_len, pair_member_2, pair_member_2_len) # package the result as requested by the user and return it. return result_constructor(newick) def _compute_q(dm): """Compute Q matrix, used to identify the next pair of nodes to join. """ q = np.zeros(dm.shape) n = dm.shape[0] for i in range(n): for j in range(i): q[i, j] = q[j, i] = \ ((n - 2) * dm[i, j]) - dm[i].sum() - dm[j].sum() return DistanceMatrix(q, dm.ids) def _compute_collapsed_dm(dm, i, j, disallow_negative_branch_length, new_node_id): """Return the distance matrix resulting from joining ids i and j in a node. If the input distance matrix has shape ``(n, n)``, the result will have shape ``(n-1, n-1)`` as the ids `i` and `j` are collapsed to a single new ids. """ in_n = dm.shape[0] out_n = in_n - 1 out_ids = [new_node_id] out_ids.extend([e for e in dm.ids if e not in (i, j)]) result = np.zeros((out_n, out_n)) for idx1, out_id1 in enumerate(out_ids[1:]): result[0, idx1 + 1] = result[idx1 + 1, 0] = _otu_to_new_node( dm, i, j, out_id1, disallow_negative_branch_length) for idx2, out_id2 in enumerate(out_ids[1:idx1+1]): result[idx1+1, idx2+1] = result[idx2+1, idx1+1] = \ dm[out_id1, out_id2] return DistanceMatrix(result, out_ids) def _lowest_index(dm): """Return the index of the lowest value in the input distance matrix. If there are ties for the lowest value, the index of top-left most occurrence of that value will be returned. This should be ultimately be replaced with a new DistanceMatrix object method (#228). """ lowest_value = np.inf for i in range(dm.shape[0]): for j in range(i): curr_index = i, j curr_value = dm[curr_index] if curr_value < lowest_value: lowest_value = curr_value result = curr_index return result def _otu_to_new_node(dm, i, j, k, disallow_negative_branch_length): """Return the distance between a new node and some other node. Parameters ---------- dm : skbio.DistanceMatrix The input distance matrix. i, j : str Identifiers of entries in the distance matrix to be collapsed. These get collapsed to a new node, internally represented as `u`. k : str Identifier of the entry in the distance matrix for which distance to `u` will be computed. disallow_negative_branch_length : bool Neighbor joining can result in negative branch lengths, which don't make sense in an evolutionary context. If `True`, negative branch lengths will be returned as zero, a common strategy for handling this issue that was proposed by the original developers of the algorithm. """ k_to_u = 0.5 * (dm[i, k] + dm[j, k] - dm[i, j]) if disallow_negative_branch_length and k_to_u < 0: k_to_u = 0 return k_to_u def _pair_members_to_new_node(dm, i, j, disallow_negative_branch_length): """Return the distance between a new node and decendants of that new node. Parameters ---------- dm : skbio.DistanceMatrix The input distance matrix. i, j : str Identifiers of entries in the distance matrix to be collapsed (i.e., the descendents of the new node, which is internally represented as `u`). disallow_negative_branch_length : bool Neighbor joining can result in negative branch lengths, which don't make sense in an evolutionary context. If `True`, negative branch lengths will be returned as zero, a common strategy for handling this issue that was proposed by the original developers of the algorithm. """ n = dm.shape[0] i_to_j = dm[i, j] i_to_u = (0.5 * i_to_j) + ((dm[i].sum() - dm[j].sum()) / (2 * (n - 2))) if disallow_negative_branch_length and i_to_u < 0: i_to_u = 0 j_to_u = i_to_j - i_to_u if disallow_negative_branch_length and j_to_u < 0: j_to_u = 0 return i_to_u, j_to_u
JWDebelius/scikit-bio
skbio/tree/_nj.py
Python
bsd-3-clause
10,840
[ "scikit-bio" ]
9723b37db240477c8a76c5484ec1e50fc0dba1bfe0ad9fbb646a9ee2240f53ec
import shutil import jinja2 as j2 import pytoml from pathlib import Path from core import Model, ModelType from core.ModelValidator import ModelValidator folders = { "F-IND": "F-IND", } mfDict = { # 'pairwise-linear': , 'triangle': 'TRI_MF', 'trapezoid': 'TRAP_MF', # 'gaussian-bell': , # 'gaussian2': , 'gaussian': 'GAUSSIAN_MF', 'sigmoid': 'SIGMOID_MF', 'diff_sigmoid': 'DIF_SIGMOID_MF', 'singleton': 'SPIKE_MF', } class templateRenderer(object): def __init__(self, model, path): #self.tmplDir = Path(__file__).parent / '..' / 'templates' / folders[model.type.lower()] self.tmplDir = path self.tmplDir.resolve() loader = j2.FileSystemLoader(str(self.tmplDir)) self.env = j2.Environment( loader=loader, trim_blocks=True, lstrip_blocks=True) self.model = model def render(self, template): tmpl = self.env.get_template(template) return tmpl.render(model=self.model, mfDict=mfDict) def write(self, fileOut, template): with fileOut.open('w') as fo: fo.write(self.render(template)) class fuzzyCreator(object): def __init__(self, modelString, outDir): conf = pytoml.loads(modelString) self.models = [] for m in conf['model']: if m['type'].upper() == 'F-IND': self.models.append(Model.ModelFIND(m)) if m['type'].upper() == 'FEQ': self.models.append(Model.ModelFeq(m)) if m['type'].upper() != 'F-IND' and m['type'].upper() != 'FEQ': self.models.append(Model.ModelFis(m)) self.outDir = outDir def __process_template__(self, renderer, template_name, out_dir, add_model_name=None): try: tmplSplit = template_name.split('.') if add_model_name is None: outfile = tmplSplit[0] + '.' + tmplSplit[1] else: outfile = tmplSplit[0] + '_' + \ add_model_name + '.' + tmplSplit[1] renderer.write(out_dir / outfile, template_name) except j2.TemplateSyntaxError as e: print("Exception in ", template_name, ":") raise e def render(self, subfolder=True, include_strings=False): if not self.outDir.exists(): self.outDir.mkdir(parents=True) # Validate the models validator = ModelValidator(self.models) validator.validate() model_types_added = ModelType.ModelTypeSet() outDir = self.outDir for model in self.models: model.include_strings = include_strings if subfolder: outDir = self.outDir / model.name if not outDir.exists(): outDir.mkdir() templ_dir = Path(__file__).parent / '..' / \ 'templates' / folders[model.type.upper()] renderer = templateRenderer(model, templ_dir) template_list = templ_dir.glob('*.j2') template_list = [x.name for x in template_list] for tmpl in template_list: self.__process_template__(renderer, tmpl, outDir, model.name) model_types_added.update(model) # Check if the model type has any common that should be copied as well for mt in model_types_added: mt.include_strings = include_strings templ_dir = Path(__file__).parent / '..' / \ 'templates' / folders[mt.type] common = (templ_dir / 'common').exists() if common: renderer = templateRenderer(mt, templ_dir / "common") fileDir = templ_dir / 'common' fileList = fileDir.glob('*') for f in fileList: if f.is_file(): if f.suffix == ".j2": self.__process_template__( renderer, f.name, self.outDir) else: shutil.copy(str(f), str(self.outDir)) # Copies common model types files fileDir = Path(__file__).parent / '..' / 'templates' / "common" fileList = fileDir.glob('*') renderer = templateRenderer(model_types_added, fileDir) for f in fileList: if f.is_file(): if f.suffix == ".j2": self.__process_template__(renderer, f.name, self.outDir) else: shutil.copy(str(f), str(self.outDir))
lab-robotics-unipv/pyFUZZYgenerator
core/fuzzyCreator.py
Python
lgpl-3.0
4,604
[ "Gaussian" ]
fa1fb85df9562641448a888e2b522c76499aa31c13b365860ed37de506f6c029
#################################################################################################### # Copyright 2013 John Crawford # # This file is part of PatchCorral. # # PatchCorral 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. # # PatchCorral 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 PatchCorral. If not, see <http://www.gnu.org/licenses/>. #################################################################################################### ## @file # Module Information. # @date 3/10/2013 Created file. -jc # @author John Crawford NAME = 'GM' PATCHES = [ # Name, MSB, LSB, PC, Group Name, Voice Num Name ('Piano 1', 121, 0, 0, 'AC.PIANO', 'GM 001'), ('Piano 2', 121, 0, 1, 'AC.PIANO', 'GM 002'), ('Piano 3', 121, 0, 2, 'AC.PIANO', 'GM 003'), ('Honky-tonk', 121, 0, 3, 'AC.PIANO', 'GM 004'), ('E.Piano 1', 121, 0, 4, 'EL.PIANO', 'GM 005'), ('E.Piano 2', 121, 0, 5, 'EL.PIANO', 'GM 006'), ('Harpsichord', 121, 0, 6, 'KEYBOARDS', 'GM 007'), ('Clav.', 121, 0, 7, 'KEYBOARDS', 'GM 008'), ('Celesta', 121, 0, 8, 'KEYBOARDS', 'GM 009'), ('Glockenspiel', 121, 0, 9, 'BELL', 'GM 010'), ('Music Box', 121, 0, 10, 'BELL', 'GM 011'), ('Vibraphone', 121, 0, 11, 'MALLET', 'GM 012'), ('Marimba', 121, 0, 12, 'MALLET', 'GM 013'), ('Xylophone', 121, 0, 13, 'MALLET', 'GM 014'), ('Tubular-bell', 121, 0, 14, 'BELL', 'GM 015'), ('Santur', 121, 0, 15, 'PLUCKED', 'GM 016'), ('Organ 1', 121, 0, 16, 'ORGAN', 'GM 017'), ('Organ 2', 121, 0, 17, 'ORGAN', 'GM 018'), ('Organ 3', 121, 0, 18, 'ORGAN', 'GM 019'), ('Church Org.1', 121, 0, 19, 'ORGAN', 'GM 020'), ('Reed Organ', 121, 0, 20, 'ORGAN', 'GM 021'), ('Accordion Fr', 121, 0, 21, 'ACCORDION', 'GM 022'), ('HARMONICA', 121, 0, 22, 'HARMONICA', 'GM 023'), ('Bandoneon', 121, 0, 23, 'ACCORDION', 'GM 024'), ('Nylon-str.Gt', 121, 0, 24, 'AC.GUITAR', 'GM 025'), ('Steel-str.Gt', 121, 0, 25, 'AC.GUITAR', 'GM 026'), ('Jazz Gt.', 121, 0, 26, 'EL.GUITAR', 'GM 027'), ('Clean Gt.', 121, 0, 27, 'EL.GUITAR', 'GM 028'), ('Muted Gt.', 121, 0, 28, 'EL.GUITAR', 'GM 029'), ('Overdrive Gt', 121, 0, 29, 'DIST.GUITAR', 'GM 030'), ('DistortionGt', 121, 0, 30, 'DIST.GUITAR', 'GM 031'), ('Gt.Harmonics', 121, 0, 31, 'EL.GUITAR', 'GM 032'), ('Acoustic Bs.', 121, 0, 32, 'BASS', 'GM 033'), ('Fingered Bs.', 121, 0, 33, 'BASS', 'GM 034'), ('Picked Bass', 121, 0, 34, 'BASS', 'GM 035'), ('Fretless Bs.', 121, 0, 35, 'BASS', 'GM 036'), ('Slap Bass 1', 121, 0, 36, 'BASS', 'GM 037'), ('Slap Bass 2', 121, 0, 37, 'BASS', 'GM 038'), ('Synth Bass 1', 121, 0, 38, 'SYNTH BASS', 'GM 039'), ('Synth Bass 2', 121, 0, 39, 'SYNTH BASS', 'GM 040'), ('Violin', 121, 0, 40, 'STRINGS', 'GM 041'), ('Viola', 121, 0, 41, 'STRINGS', 'GM 042'), ('Cello', 121, 0, 42, 'STRINGS', 'GM 043'), ('Contrabass', 121, 0, 43, 'STRINGS', 'GM 044'), ('Tremolo Str', 121, 0, 44, 'STRINGS', 'GM 045'), ('PizzicatoStr', 121, 0, 45, 'STRINGS', 'GM 046'), ('Harp', 121, 0, 46, 'PLUCKED', 'GM 047'), ('Timpani', 121, 0, 47, 'PERCUSSION', 'GM 048'), ('Orche str', 121, 0, 48, 'STRINGS', 'GM 049'), ('Slow Strings', 121, 0, 49, 'STRINGS', 'GM 050'), ('Syn.Strings1', 121, 0, 50, 'STRINGS', 'GM 051'), ('Syn.Strings2', 121, 0, 51, 'SOFT PAD', 'GM 052'), ('Choir Aahs', 121, 0, 52, 'VOX', 'GM 053'), ('Voice Oohs', 121, 0, 53, 'VOX', 'GM 054'), ('SynVox', 121, 0, 54, 'VOX', 'GM 055'), ('OrchestraHit', 121, 0, 55, 'HIT&STAB', 'GM 056'), ('Trumpet', 121, 0, 56, 'AC.BRASS', 'GM 057'), ('Trombone', 121, 0, 57, 'AC.BRASS', 'GM 058'), ('Tuba', 121, 0, 58, 'AC.BRASS', 'GM 059'), ('MutedTrumpet', 121, 0, 59, 'AC.BRASS', 'GM 060'), ('French Horns', 121, 0, 60, 'AC.BRASS', 'GM 061'), ('Brass 1', 121, 0, 61, 'AC.BRASS', 'GM 062'), ('Synth Brass1', 121, 0, 62, 'SYNTH BRASS', 'GM 063'), ('Synth Brass2', 121, 0, 63, 'SYNTH BRASS', 'GM 064'), ('Soprano Sax', 121, 0, 64, 'SAX', 'GM 065'), ('Alto Sax', 121, 0, 65, 'SAX', 'GM 066'), ('Tenor Sax', 121, 0, 66, 'SAX', 'GM 067'), ('Baritone Sax', 121, 0, 67, 'SAX', 'GM 068'), ('Oboe', 121, 0, 68, 'WIND', 'GM 069'), ('English Horn', 121, 0, 69, 'WIND', 'GM 070'), ('Bassoon', 121, 0, 70, 'WIND', 'GM 071'), ('Clarinet', 121, 0, 71, 'WIND', 'GM 072'), ('Piccolo', 121, 0, 72, 'FLUTE', 'GM 073'), ('FLUTE', 121, 0, 73, 'FLUTE', 'GM 074'), ('Recorder', 121, 0, 74, 'FLUTE', 'GM 075'), ('Pan Flute', 121, 0, 75, 'FLUTE', 'GM 076'), ('Bottle Blow', 121, 0, 76, 'FLUTE', 'GM 077'), ('Shakuhachi', 121, 0, 77, 'ETHNIC', 'GM 078'), ('Whistle', 121, 0, 78, 'FLUTE', 'GM 079'), ('Ocarina', 121, 0, 79, 'FLUTE', 'GM 080'), ('Square Wave', 121, 0, 80, 'HARD LEAD', 'GM 081'), ('Saw Wave', 121, 0, 81, 'HARD LEAD', 'GM 082'), ('Syn.Calliope', 121, 0, 82, 'SOFT LEAD', 'GM 083'), ('Chiffer Lead', 121, 0, 83, 'SOFT LEAD', 'GM 084'), ('Charang', 121, 0, 84, 'HARD LEAD', 'GM 085'), ('Solo Vox', 121, 0, 85, 'SOFT LEAD', 'GM 086'), ('5th Saw Wave', 121, 0, 86, 'HARD LEAD', 'GM 087'), ('Bass & Lead', 121, 0, 87, 'HARD LEAD', 'GM 088'), ('Fantasia', 121, 0, 88, 'OTHER SYNTH', 'GM 089'), ('Warm Pad', 121, 0, 89, 'SOFT PAD', 'GM 090'), ('Polysynth', 121, 0, 90, 'OTHER SYNTH', 'GM 091'), ('Space Voice', 121, 0, 91, 'VOX', 'GM 092'), ('Bowed Glass', 121, 0, 92, 'SOFT PAD', 'GM 093'), ('Metal Pad', 121, 0, 93, 'BRIGHT PAD', 'GM 094'), ('Halo Pad', 121, 0, 94, 'BRIGHT PAD', 'GM 095'), ('Sweep Pad', 121, 0, 95, 'SOFT PAD', 'GM 096'), ('Ice Rain', 121, 0, 96, 'OTHER SYNTH', 'GM 097'), ('Soundtrack', 121, 0, 97, 'SOFT PAD', 'GM 098'), ('Crystal', 121, 0, 98, 'BELL', 'GM 099'), ('Atmosphere', 121, 0, 99, 'AC.GUITAR', 'GM 100'), ('Brightness', 121, 0, 100, 'OTHER SYNTH', 'GM 101'), ('Goblin', 121, 0, 101, 'PULSATING', 'GM 102'), ('Echo Drops', 121, 0, 102, 'BRIGHT PAD', 'GM 103'), ('Star Theme', 121, 0, 103, 'BRIGHT PAD', 'GM 104'), ('Sitar', 121, 0, 104, 'PLUCKED', 'GM 105'), ('Banjo', 121, 0, 105, 'PLUCKED', 'GM 106'), ('Shamisen', 121, 0, 106, 'PLUCKED', 'GM 107'), ('Koto', 121, 0, 107, 'PLUCKED', 'GM 108'), ('Kalimba', 121, 0, 108, 'PLUCKED', 'GM 109'), ('Bagpipe', 121, 0, 109, 'ETHNIC', 'GM 110'), ('Fiddle', 121, 0, 110, 'STRINGS', 'GM 111'), ('Shanai', 121, 0, 111, 'ETHNIC', 'GM 112'), ('Tinkle Bell', 121, 0, 112, 'BELL', 'GM 113'), ('Agogo', 121, 0, 113, 'PERCUSSION', 'GM 114'), ('Steel Drums', 121, 0, 114, 'MALLET', 'GM 115'), ('Woodblock', 121, 0, 115, 'PERCUSSION', 'GM 116'), ('Taiko', 121, 0, 116, 'PERCUSSION', 'GM 117'), ('Melo. Tom 1', 121, 0, 117, 'PERCUSSION', 'GM 118'), ('Synth Drum', 121, 0, 118, 'PERCUSSION', 'GM 119'), ('Reverse Cym.', 121, 0, 119, 'PERCUSSION', 'GM 120'), ('Gt.FretNoise', 121, 0, 120, 'AC.GUITAR', 'GM 121'), ('Breath Noise', 121, 0, 121, 'SYNTH FX', 'GM 122'), ('Seashore', 121, 0, 122, 'SOUND FX', 'GM 123'), ('Bird', 121, 0, 123, 'SOUND FX', 'GM 124'), ('Telephone 1', 121, 0, 124, 'SOUND FX', 'GM 125'), ('Helicopter', 121, 0, 125, 'SOUND FX', 'GM 126'), ('Applause', 121, 0, 126, 'SOUND FX', 'GM 127'), ('Gun Shot', 121, 0, 127, 'SOUND FX', 'GM 128'), ]
psychobaka/PatchCorral
src/data/synthesizers/generalmidi/GM.py
Python
gpl-3.0
7,553
[ "CRYSTAL" ]
4406add65fe239f7481e9b289612b722b20d6043c7f96a5bd9a1adc27e3f2681
"""Command line interface module""" import sys import logging from pathlib import Path from argparse import ArgumentParser import helper import helper.main import helper.device LOGGER = logging.getLogger(__name__) PARSER = ArgumentParser( prog="helper", description="CLI utility for interfacing with Android devices", epilog="""You can pass the '-h' argument to all of the above commands for detailed description. Feel free to check out the source code and report any issues at github.com/rmmbear/Android-QA-Helper""" ) PARSER.add_argument( "-v", "--version", action="version", version="%(prog)s {}".format(helper.VERSION)) COMMANDS = PARSER.add_subparsers(title="Commands", dest="command", metavar="") ### Gneral-use optional arguments OPT_DEVICE = ArgumentParser("device", add_help=False) OPT_DEVICE.add_argument( "-d", "--device", default="", metavar="device", help="""Specify command target by passing a device's serial number. This value must be given if there are multiple devices connected.""") OPT_OUTPUT = ArgumentParser("output", add_help=False) OPT_OUTPUT.add_argument( "-o", "--output", default=".", metavar="directory", help="""Specify the output directory. If no directory is chosen, the files will be saved in the same directory helper was launched from.""") ### Helper Commands definitions CMD = COMMANDS.add_parser( "install", parents=[OPT_DEVICE, OPT_OUTPUT], aliases=["i"], help="Install an app on connected device.", epilog="""If another version of the app is already on the device, helper will attempt to remove it and all its data first before replacing it. Note that system apps can only be replaced with newer versions and the '--replace-system-apps' argument must be used.""") CMD.add_argument( "install", metavar="APK", help=".apk file.") CMD.add_argument( "--obb", nargs="+", metavar="OBB", help="Keep data and cache directories when replacing apps.") CMD.add_argument( "--keep-data", action="store_true", help="Keep data and cache directories when replacing apps.") CMD.add_argument( "--location", choices=["internal", "external"], default="automatic", help="""Set the install location to either internal or external SD card. By default it is set to 'automatic', which lets the device decide the location based on available storage space and install location set in app's AndroidManifest.xml.""") CMD.add_argument( "--installer-name", default="android.helper", help="""Use this option to set the installer name used during installation. By default it is 'android.helper'. Under normal circumstances this would be the name of the appstore app used, so for example: com.sec.android.app.samsungapps (Samsung Galaxy Apps), com.android.vending (Google Play Store), com.amazon.mShop.android (Amazon Underground - Android app), com.amazon.venezia (Amazon appstore - native Kindle Fire). Changing installer name may be useful for testing store-specific functionality.""") CMD = COMMANDS.add_parser( "clean", parents=[OPT_DEVICE, OPT_OUTPUT], aliases="c", help="Clean the device storage as per the instructions in cleaner config.", epilog=f"""By default, this command removes only helper-created files but its behavior can be customized with cleaner config file. Currently available options are: removing files and directories, clearing app data, uninstalling apps and replacing files on device with local versions. For configuration example, see the default config file: {helper.CLEANER_CONFIG}.""") CMD.add_argument( "clean", nargs="?", default=helper.CLEANER_CONFIG, metavar="config", help="""Path to a valid cleaner config file. For example of a valid config, see the default file in this program's root directory.""") CMD = COMMANDS.add_parser( "record", parents=[OPT_DEVICE, OPT_OUTPUT], aliases="r", help="Record the screen of your device.", epilog="""To stop and save the recorded video, press 'ctrl+c'. Videos have a hard time-limit of three minutes -- this is imposed by the internal command and cannot be extended -- recording will be stopped automatically after reaching that limit. NOTE: Sound is not recorded.""") CMD = COMMANDS.add_parser( "traces", parents=[OPT_DEVICE, OPT_OUTPUT], aliases="t", help="Save the dalvik vm stack traces (aka ANR log) to a file.", epilog="Save the dalvik vm stack traces (aka ANR log) to a file.") # TODO: Update detailed description after implementing obb extraction CMD = COMMANDS.add_parser( "extract", parents=[OPT_DEVICE, OPT_OUTPUT], aliases="x", help="""Extract .apk file of an installed application.""", epilog="""Extract the .apk file from device's storage. On some devices the archives cannot be extracted. In general, if it is possible to extract third part apps, it should be also possible to the same with system apps. Note: app's expansion files (OBBs) cannot yet be extracted.""") CMD.add_argument( "extract_apk", nargs="+", metavar="app name", help="Package ID of an installed app. For example: android.com.browser.") COMMANDS.add_parser( "scan", aliases="s", help="Show status of all connected devices.", epilog="""Scan shows serial number, manufacturer, model and connection status of all devices connected. If a connection with device could not be established, only its serial and connection status is shown.""") COMMANDS.add_parser( "dump", aliases=["d"], parents=[OPT_DEVICE, OPT_OUTPUT], help="Dump all available device information to file.", epilog="Dump all available device information to file.") CMD = COMMANDS.add_parser( "shell", aliases=["sh"], parents=[OPT_DEVICE], help="Issue a shell command for a device.", epilog="Issue a shell command for a device.") CMD.add_argument( "command_", nargs="*", metavar="command", help="""Note: put "--" as the first argument to suppress argument parsing (necessary if your shell command contains dashes).""") CMD = COMMANDS.add_parser( "adb", parents=[OPT_DEVICE], help="Issue an adb command for a device.", epilog="Issue an adb command for a device.") CMD .add_argument( "command_", nargs="*", metavar="command", help="""Note: put "--" as the first argument to suppress argument parsing (necessary if your shell command contains dashes).""") ### Hidden commands CMD = COMMANDS.add_parser("debug-dump", parents=[OPT_DEVICE, OPT_OUTPUT]) CMD.add_argument("--full", action="store_true") COMMANDS.add_parser("run-tests") del CMD PARSER_NO_ARGS = PARSER.parse_args([]) def find_adb_and_aapt(require_adb=True, require_aapt=True): """Find and set paths of the necessary tools. Invokes helper.tools.tool_grabber if tools are not found. This function modifies global state - it sets paths of ADB and AAPT, as well as their _VERSION variables, in package's __init__'s scope . """ if not require_adb and not require_aapt: return tools = ("ADB", "AAPT") missing = [] required = {"ADB":require_adb, "AAPT":require_aapt} for tool_name in tools: tool_path = getattr(helper, tool_name) # only care about the executable if it's required if required[tool_name] and not tool_path: missing.append(tool_name) if missing: print(f"Tools missing: {missing}") print("Helper cannot run without above tools - would you like to download them now?") try: userinput = input("Y/N ") except EOFError: print("Aborting...") sys.exit() if userinput[0] not in "yY": LOGGER.info("early exit - user did not allow download of missing tools") sys.exit() if len(missing) == 2: tool = "all" else: tool = missing[0].lower() # download the missing tool(s) using helper.tools.tool_grabber from .tools import tool_grabber tool_grabber.main(arguments=f"--tool {tool}".split()) for tool in missing: out = helper.find_executable(tool.lower()) setattr(helper, tool, out[0]) setattr(helper, f"{tool}_VERSION", out[1]) # it is possible that tool_grabber fails to download all tools # this could be because of user-side errors # (faulty internet connection, for example) # so we need to make sure they have really been found found_all = True for tool in missing: if not getattr(helper, tool): found_all = False if not found_all: LOGGER.error("Could not find downloaded tools, aborting") sys.exit() def pick_device(): """Ask the user to pick a device from list of currently connected devices. If only one is available, it will be chosen automatically. None is returned if there aren't any devices. """ device_list = helper.device.get_devices(limit_init=["identity"]) if not device_list: return None if len(device_list) == 1: return device_list[0] print("Multiple devices detected!\n") print("Please choose which of devices below you want to work with.\n") for counter, device in enumerate(device_list): print(f"{counter} : {device.name}") while True: print("Pick a device: ") user_choice = input().strip() if not user_choice.isnumeric(): print("The answer must be a number!") continue user_choice = int(user_choice) if user_choice < 0 or user_choice >= len(device_list): print("Answer must be one of the above numbers!") continue return device_list[user_choice] def record(device, args): destination = helper.main.record(device, args.output) if destination: print("Recorded video was saved to:") print(destination) return destination return False def install(device, args): if not Path(args.install).is_file(): print("ERROR: Provided path does not point to an existing file:") print(args.install) return helper.main.install( device, args.install, args.obb, install_location=args.location, keep_data=args.keep_data, installer_name=args.installer_name) def pull_traces(device, args): """""" destination = helper.main.pull_traces(device, args.output) if destination: print("Traces file was saved to:") print(destination) return True return False def extract_apk(device, args): for app_name in args.extract_apk: out = device.extract_apk(app_name, args.output) if out: print("Package saved to:") print(out) def clean(device, args): """""" config_file = args.clean if not Path(config_file).is_file(): print("Provided path does not point to an existing config file:") print(config_file) return helper.main.clean(device, config_file) def scan(args): """""" device_list = helper.device.get_devices(True, ["identity"], True) if not device_list: print() print("No devices detected") return # Load everything into lines, including the headers lengths = [2, 10, 12, 5, 6] lines = [("#", "Serial #", "Manufacturer", "Model", "Status")] for count, device in enumerate(device_list): count = str(count + 1) serial = device.serial manufacturer = device.info_dict["device_manufacturer"] manufacturer = manufacturer if manufacturer else "Unknown" model = device.info_dict["device_manufacturer"] model = model if model else "Unknown" status = device._status for x, item in enumerate((count, serial, manufacturer, model, status)): lengths[x] = max(len(item), lengths[x]) lines.append((count, serial, manufacturer, model, status)) # create format string dynamically # each column has a width of its widest element + 2 format_str = "{:" + "}{:".join([str(x+2) for x in lengths]) + "}" for line in lines: print(format_str.format(*line)) def info_dump(device, args): """""" device.extract_data(limit_to=["identity"]) print(f"Collecting info from {device.name} ...") filename = f"{device.filename}_REPORT" output_path = (Path(args.output) / filename).resolve() with output_path.open(mode="w") as device_report: device.info_dump(device_report) print(f"Report saved to {str(output_path)}") def debug_dump(device, args): """Dump device data to files. What is dumped is controlled by extract_data's INFO_SOURCES. This data is meant to be loaded into DummyDevice for debugging and compatibility tests. """ print("Please remember that dumped files may contain sensitive data. Use caution.") directory = Path(args.output) directory.mkdir(exist_ok=True) # this is very silly # make _init_cache getter retrieve the value from immortal_cache # while its setter simply does nothing, which prevents device.get_data from # "deleting" the cache (it does so by assigning an empty dict to _init_cache) # because doing it this way modifies the class definition at runtime and prevents # updating device information (except for methods which skip cache checks # explicitly), helper should exit immediately after data is dumped # The only reason I'm going with this is because I don't want to mess with # device module right now device.immortal_cache = {} helper.device.Device._init_cache = property( lambda self: self.immortal_cache, lambda self, value: None ) print("-----") print("\nDumping", device.name) device_dir = Path(directory, (device.filename + "_DUMP")) device_dir.mkdir(exist_ok=True) from helper.extract_data import INFO_SOURCES for source_name, command in INFO_SOURCES.items(): if source_name.startswith("debug") and not args.full: continue if source_name in device.immortal_cache: output = device.immortal_cache[source_name] else: output = device.shell_command(*command, return_output=True, as_list=False) with Path(device_dir, source_name).open(mode="w", encoding="utf-8") as dump_file: dump_file.write(output) print(".", end="", flush=True) print("\nDumping device's info_dict") print("\nLoading data") try: device.extract_data() except: print("ERROR: Encountered an exception during load, dumping as-is") with Path(device_dir, "device_info_dict").open(mode="w", encoding="utf-8") as info_dict_file: for key, value in device.info_dict.items(): info_dict_file.write(f"{key}: {str(value)}\n") print("Device dumped to", str(device_dir)) def run_tests(args): try: import pytest except ImportError: print("Could not import pytest, cannot run tests") return sys.argv = [sys.argv[0]] pytest.main() def shell_command(device, args): """""" print() device.shell_command(*args.command_, return_output=False, check_server=False) def adb_command(args): """""" helper.device.adb_command(*args.command_, return_output=False, check_server=False) COMMAND_DICT = { #command : (function, required_devices), #No device commands "adb":(adb_command, 0), "run-tests":(run_tests, 0), "scan":(scan, 0), "s": (scan, 0), #Single device commands "extract":(extract_apk, 1), "x":(extract_apk, 1), "install":(install, 1), "i":(install, 1), "record":(record, 1), "r":(record, 1), "shell":(shell_command, 1), "sh":(shell_command, 1), "traces":(pull_traces, 1), "t":(pull_traces, 1), #Multi device commands #these commands will run even when only one device is available "clean":(clean, 2), "c":(clean, 2), "debug-dump":(debug_dump, 2), "dump":(info_dump, 2), "d":(info_dump, 2), } def main(args=None): """Parse and execute input commands.""" find_adb_and_aapt() LOGGER.info("Starting parsing arguments") args = PARSER.parse_args(args) LOGGER.info("Starting helper with option %s", args.command) if args == PARSER_NO_ARGS: PARSER.parse_args(["-h"]) return if hasattr(args, "output"): if not Path(args.output[0]).is_dir(): print("ERROR: The provided path does not point to an existing directory!") return command, required_devices = COMMAND_DICT[args.command] #No devices required, call function directly if required_devices == 0: command(args) return chosen_device = None #FIXME: do not initialize other devices when performing actions on specific device #TODO: Implement a timeout print("Waiting for any device to come online...") helper.device.adb_command('wait-for-device', return_output=True) connected_devices = helper.device.get_devices(initialize=False) connected_serials = {device.serial:device for device in connected_devices} if hasattr(args, "device"): if args.device: LOGGER.debug("Chosen device set to %s", args.device) try: chosen_device = connected_serials[args.device] except KeyError: print(f"Device with serial number {args.device} was not found by Helper!") return #TODO: implement concurrent commands if required_devices == 1: if not chosen_device: chosen_device = pick_device() try: command(chosen_device, args) except helper.device.DeviceOfflineError: print("Device has been suddenly disconnected!") if required_devices == 2: if chosen_device: connected_devices = [chosen_device] for device in connected_devices: try: command(device, args) except helper.device.DeviceOfflineError: print(f"Device {device.name} has been suddenly disconnected!") #TODO: Implement screenshot command #TODO: Implement keyboard and keyboard-interactive # Enter text into textfields on Android device using PC's keyboard
rmmbear/Android-QA-Helper
helper/cli.py
Python
gpl-3.0
18,327
[ "Galaxy" ]
bda2dc66376dd41ede28047aa709a805689b11bc14ccd7e3e7522337949fc62b
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 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 abc import abstractmethod from dataclasses import dataclass from typing import Callable, Dict, List, Union import numpy as np from psi4.driver import constants @dataclass class Lineshape: """Lineshape ABC Attributes ---------- domain : Union[numpy.ndarray, List[float]] Domain of the spectral band. gamma : Callable[[float], float] A function returning the broadening factor. Notes ----- Why do we use a callable broadening factor? For plots in the *wavelength domain*, the broadening factor depends on the location of the band's maximum. """ domain: Union[np.ndarray, List[float]] gamma: Callable[[float], float] @abstractmethod def lineshape(self, x_0: float) -> np.ndarray: pass @abstractmethod def maximum(self, x_0: float) -> float: pass class Gaussian(Lineshape): r"""Gaussian function on `domain`, centered at `x_0` with broadening `gamma`. Parameters ---------- domain : Union[List[float], numpy.ndarray] The domain of the Gaussian profile. gamma : float Broadening parameter. This is related to the full width at half maximum as :math:`\mathrm{FWHM} = \gamma \sqrt{2\ln 2}` Notes ----- Use this profile to model inhomegenous broadening. """ def lineshape(self, x_0: float) -> np.ndarray: """Gaussian function on `self.domain`, centered at `x_0` with broadening `self.gamma`. Parameters ---------- x_0 : float Center of the Gaussian, i.e. its maximum. Returns ------- gauss : numpy.ndarray The Gaussian profile. """ prefactor = 2.0 / (self.gamma(x_0) * np.sqrt(2.0 * np.pi)) exponent = -2.0 * ((self.domain - x_0) / self.gamma(x_0))**2 return prefactor * np.exp(exponent) def maximum(self, x_0: float) -> float: return 2.0 / (self.gamma(x_0) * np.sqrt(2.0 * np.pi)) class Lorentzian(Lineshape): """Lorentzian function on `domain`, centered at `x_0` with broadening `gamma`. Parameters ---------- domain : Union[List[float], numpy.ndarray] The domain of the Lorentzian profile. gamma : float Broadening parameter. This is the full width at half maximum (FWHM). Notes ----- Use this profile to model homogeneous broadening. """ def lineshape(self, x_0: float) -> np.ndarray: """Lorentzian function on :py:attr:`Lineshape.domain`, centered at `x_0` with broadening :py:attr:`Lineshape.gamma`. Parameters ---------- x_0 Center of the Lorentzian, i.e. its maximum. Returns ------- lorentz : numpy.ndarray The Lorentzian profile. """ prefactor = 1.0 / np.pi numerator = self.gamma(x_0) / 2.0 denominator = (self.domain - x_0)**2 + numerator**2 return prefactor * (numerator / denominator) def maximum(self, x_0: float) -> float: return 2.0 / (np.pi * self.gamma(x_0)) def prefactor_opa() -> float: r"""Prefactor for converting microscopic observable to decadic molar extinction coefficient in one-photon absorption. Returns ------- prefactor : float Notes ----- This function implements the calculation of the following prefactor: .. math:: k = \frac{4\pi^{2}N_{\mathrm{A}}}{3\times 1000\times \ln(10) (4 \pi \epsilon_{0}) n \hbar c} The prefactor is computed in SI units and then adjusted for the fact that we use atomic units to express microscopic observables: excitation energies and transition dipole moments. The refractive index :math:`n` is, in general, frequency-dependent. We assume it to be constant and equal to 1. """ N_A = constants.get("Avogadro constant") c = constants.get("speed of light in vacuum") hbar = constants.get("Planck constant over 2 pi") e_0 = constants.get("electric constant") au_to_Coulomb_centimeter = constants.get("elementary charge") * constants.get( "Bohr radius") * constants.conversion_factor("m", "cm") numerator = 4.0 * np.pi**2 * N_A denominator = 3 * 1000 * np.log(10) * (4 * np.pi * e_0) * hbar * c return (numerator / denominator) * au_to_Coulomb_centimeter**2 def prefactor_ecd() -> float: r"""Prefactor for converting microscopic observable to decadic molar extinction coefficient in electronic circular dichroism. Returns ------- prefactor : float Notes ----- This function implements the calculation of the following prefactor: .. math:: k = \frac{16\pi^{2}N_{\mathrm{A}}}{3\times 1000\times \ln(10) (4 \pi \epsilon_{0}) n \hbar c^{2}} The prefactor is computed in SI units and then adjusted for the fact that we use atomic units to express microscopic observables: excitation energies and transition dipole moments. The refractive index :math:`n` is, in general, frequency-dependent. We assume it to be constant and equal to 1. """ N_A = constants.get("Avogadro constant") c = constants.get("speed of light in vacuum") hbar = constants.get("Planck constant over 2 pi") e_0 = constants.get("electric constant") au_to_Coulomb_centimeter = constants.get("elementary charge") * constants.get( "Bohr radius") * constants.conversion_factor("m", "cm") au_to_Joule_inverse_Tesla = 2.0 * constants.get("Bohr magneton") * constants.conversion_factor("m", "cm") conversion = au_to_Coulomb_centimeter * au_to_Joule_inverse_Tesla numerator = 16.0 * np.pi**2 * N_A denominator = 3 * 1000 * np.log(10) * (4 * np.pi * e_0) * hbar * c**2 return (numerator / denominator) * conversion def spectrum(*, poles: Union[List[float], np.ndarray], residues: Union[List[float], np.ndarray], kind: str = "opa", lineshape: str = "gaussian", gamma: float = 0.2, npoints: int = 5000, out_units: str = "nm") -> Dict[str, np.ndarray]: r"""One-photon absorption (OPA) or electronic circular dichroism (ECD) spectra with phenomenological line broadening. This function gives arrays of values ready to be plotted as OPA spectrum: .. math:: \varepsilon(\omega) = \frac{4\pi^{2}N_{\mathrm{A}}\omega}{3\times 1000\times \ln(10) (4 \pi \epsilon_{0}) n \hbar c} \sum_{i \rightarrow j}g_{ij}(\omega)|\mathbf{\mu}_{ij}|^{2} or ECD spectrum: .. math:: \Delta\varepsilon(\omega) = \frac{16\pi^{2}N_{\mathrm{A}}\omega}{3\times 1000\times \ln(10) (4 \pi \epsilon_{0}) n \hbar c^{2}} \sum_{i \rightarrow j}g_{ij}(\omega)\Im(\mathbf{\mu}_{ij}\cdot\mathbf{m}_{ij}) in macroscopic units of :math:`\mathrm{L}\cdot\mathrm{mol}^{-1}\cdot\mathrm{cm}^{-1}`. The lineshape function :math:`g_{ij}(\omega)` with phenomenological broadening :math:`\gamma` is used for the convolution of the infinitely narrow results from a linear response calculation. Parameters ---------- poles Poles of the response function, i.e. the excitation energies. These are **expected** in atomic units of angular frequency. residues Residues of the linear response functions, i.e. transition dipole moments (OPA) and rotatory strengths (ECD). These are **expected** in atomic units. kind {"opa", "ecd"} Which kind of spectrum to generate, one-photon absorption ("opa") or electronic circular dichroism ("ecd"). Default is `opa`. lineshape {"gaussian", "lorentzian"} The lineshape function to use in the fitting. Default is `gaussian`. gamma Full width at half maximum of the lineshape function. Default is 0.2 au of angular frequency. This value is **expected** in atomic units of angular frequency. npoints How many points to generate for the x axis. Default is 5000. out_units Units for the output array `x`, the x axis of the spectrum plot. Default is wavelengths in nanometers. Valid (and case-insensitive) values for the units are: - `au` atomic units of angular frequency - `Eh` atomic units of energy - `eV` - `nm` - `THz` Returns ------- spectrum : Dict The fitted electronic absorption spectrum, with units for the x axis specified by the `out_units` parameter. This is a dictionary containing the convoluted (key: `convolution`) and the infinitely narrow spectra (key: `sticks`). .. code-block:: python {"convolution": {"x": np.ndarray, "y": np.ndarray}, "sticks": {"poles": np.ndarray, "residues": np.ndarray}} Notes ----- * Conversion of the broadening parameter :math:`\gamma`. The lineshape functions are formulated as functions of the angular frequency :math:`\omega`. When converting to other physical quantities, the broadening parameter has to be modified accordingly. If :math:`\gamma_{\omega}` is the chosen broadening parameter then: - Wavelength: :math:`gamma_{\lambda} = \frac{\lambda_{ij}^{2}}{2\pi c}\gamma_{\omega}` - Frequency: :math:`gamma_{\nu} = \frac{\gamma_{\omega}}{2\pi}` - Energy: :math:`gamma_{E} = \gamma_{\omega}\hbar` References ---------- A. Rizzo, S. Coriani, K. Ruud, "Response Function Theory Computational Approaches to Linear and Nonlinear Optical Spectroscopy". In Computational Strategies for Spectroscopy. """ # Transmute inputs to np.ndarray if isinstance(poles, list): poles = np.array(poles) if isinstance(residues, list): residues = np.array(residues) # Validate input arrays if poles.shape != residues.shape: raise ValueError(f"Shapes of poles ({poles.shape}) and residues ({residues.shape}) vectors do not match!") # Validate kind of spectrum kind = kind.lower() valid_kinds = ["opa", "ecd"] if kind not in valid_kinds: raise ValueError(f"Spectrum kind {kind} not among recognized ({valid_kinds})") # Validate output units out_units = out_units.lower() valid_out_units = ["au", "eh", "ev", "nm", "thz"] if out_units not in valid_out_units: raise ValueError(f"Output units {out_units} not among recognized ({valid_out_units})") c = constants.get("speed of light in vacuum") c_nm = c * constants.conversion_factor("m", "nm") hbar = constants.get("Planck constant over 2 pi") h = constants.get("Planck constant") Eh = constants.get("Hartree energy") au_to_nm = 2.0 * np.pi * c_nm * hbar / Eh au_to_THz = (Eh / h) * constants.conversion_factor("Hz", "THz") au_to_eV = constants.get("Hartree energy in eV") converters = { "au": lambda x: x, # Angular frequency in atomic units "eh": lambda x: x, # Energy in atomic units "ev": lambda x: x * au_to_eV, # Energy in electronvolts "nm": lambda x: au_to_nm / x, # Wavelength in nanometers "thz": lambda x: x * au_to_THz, # Frequency in terahertz } # Perform conversion of poles from au of angular frequency to output units poles = converters[out_units](poles) # Broadening functions gammas = { "au": lambda x_0: gamma, # Angular frequency in atomic units "eh": lambda x_0: gamma, # Energy in atomic units "ev": lambda x_0: gamma * au_to_eV, # Energy in electronvolts "nm": lambda x_0: ((x_0**2 * gamma * (Eh / hbar)) / (2 * np.pi * c_nm)), # Wavelength in nanometers "thz": lambda x_0: gamma * au_to_THz, # Frequency in terahertz } # Generate x axis # Add a fifth of the range on each side expand_side = (np.max(poles) - np.min(poles)) / 5 x = np.linspace(np.min(poles) - expand_side, np.max(poles) + expand_side, npoints) # Validate lineshape lineshape = lineshape.lower() valid_lineshapes = ["gaussian", "lorentzian"] if lineshape not in valid_lineshapes: raise ValueError(f"Lineshape {lineshape} not among recognized ({valid_lineshapes})") # Obtain lineshape function shape = Gaussian(x, gammas[out_units]) if lineshape == "gaussian" else Lorentzian(x, gammas[out_units]) # Generate y axis, i.e. molar decadic absorption coefficient prefactor = prefactor_opa() if kind == "opa" else prefactor_ecd() transform_residue = (lambda x: x**2) if kind == "opa" else (lambda x: x) y = prefactor * x * np.sum([transform_residue(r) * shape.lineshape(p) for p, r in zip(poles, residues)], axis=0) # Generate sticks sticks = prefactor * np.array([p * transform_residue(r) * shape.maximum(p) for p, r in zip(poles, residues)]) return {"convolution": {"x": x, "y": y}, "sticks": {"poles": poles, "residues": sticks}}
jturney/psi4
psi4/driver/p4util/spectrum.py
Python
lgpl-3.0
13,818
[ "Avogadro", "Gaussian", "Psi4" ]
07fb4c1b9714feef5de615531a982d1d76855e367786ad10738888093717b14d
#!/usr/bin/env python # Pyctools-pal - PAL coding and decoding with Pyctools. # http://github.com/jim-easterbrook/pyctools-pal # Copyright (C) 2014-20 Jim Easterbrook jim@jim-easterbrook.me.uk # # 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/>. __all__ = ['Coder', 'CoderCore', 'PostFilterPAL', 'PreFilterUV', 'UVtoC'] import numpy from pyctools.core.compound import Compound from pyctools.core.frame import Frame from pyctools.components.arithmetic import Arithmetic2 from pyctools.components.colourspace.rgbtoyuv import RGBtoYUV from pyctools.components.colourspace.matrix import Matrix from pyctools.components.interp.filterdesign import FilterDesign from pyctools.components.interp.gaussianfilter import GaussianFilter from pyctools.components.interp.resize import Resize from .common import ModulateUV, To4Fsc class PreFilterUV(Resize): """Gaussian low-pass filter suitable for filtering chrominance before modulation. According to the "White Book" the chrominance shall be attenuated by <3 dB at 1.3 MHz and >20 dB at 4 MHz. """ def __init__(self, config={}, **kwds): super(PreFilterUV, self).__init__(config=config, **kwds) self.filter(GaussianFilter.core(x_sigma=1.659)) class PostFilterPAL(Compound): """5.5 MHz low pass filter. According to the "White Book" the luminance shall be substantially uniform from 0 to 5.5 MHz. It needs to be attenuated at 6 MHz to leave space for the sound carrier. """ def __init__(self, config={}, **kwds): cfg = {} cfg.update(config) cfg.update(kwds) super(PostFilterPAL, self).__init__( resize = Resize(), fildes = FilterDesign( frequency='0.0, 0.307, 0.317, 0.346, 0.356, 0.5', gain=' 1.0, 1.0, 1.0, 0.0, 0.0, 0.0', weight=' 1.0, 1.0, 0.0, 0.0, 1.0, 1.0', aperture=61, ), config = cfg, config_map = { 'frequency' : ('fildes.frequency',), 'gain' : ('fildes.gain',), 'weight' : ('fildes.weight',), 'aperture' : ('fildes.aperture',), 'outframe_pool_len': ('resize.outframe_pool_len',), }, linkages = { ('self', 'input') : [('resize', 'input')], ('fildes', 'filter') : [('resize', 'filter')], ('resize', 'output') : [('self', 'output')], ('fildes', 'response') : [('self', 'response')], } ) class UVtoC(Matrix): """Matrix modulated Cb,Cr to a single chroma component. This includes level conversions as specified in the "White Book". """ def __init__(self, config={}, **kwds): super(UVtoC, self).__init__(config=config, **kwds) mat = Frame() mat.data = numpy.array( [[2.0 * 0.886 / 2.02, 2.0 * 0.701 / 1.14]], dtype=numpy.float32) mat.type = 'mat' audit = mat.metadata.get('audit') audit += 'data = Modulated CbCr -> PAL chroma matrix\n' audit += ' values: %s\n' % (str(mat.data)) mat.metadata.set('audit', audit) self.matrix(mat) class Coder(Compound): """Conventional PAL coder. The input is RGB, sampled at 4 fsc. Other input sampling rates will work, but the output will not be a valid PAL signal. """ def __init__(self, config={}, **kwds): cfg = {} cfg.update(config) cfg.update(kwds) super(Coder, self).__init__( rgbyuv = RGBtoYUV(outframe_pool_len=5, matrix='601', audit='Y'), prefilter = PreFilterUV(), modulator = ModulateUV(), matrix = UVtoC(), assemble = Arithmetic2( func='((data1 + data2) * pt_float(140.0 / 255.0)) + pt_float(64.0)'), postfilter = PostFilterPAL(), config = cfg, config_map = { 'sc_phase' : ('modulator.sc_phase',), 'VAS_phase' : ('modulator.VAS_phase',), 'frequency' : ('postfilter.frequency',), 'gain' : ('postfilter.gain',), 'weight' : ('postfilter.weight',), 'aperture' : ('postfilter.aperture',), 'outframe_pool_len': ('postfilter.outframe_pool_len',), }, linkages = { ('self', 'input') : [('rgbyuv', 'input')], ('rgbyuv', 'output_Y') : [('assemble', 'input1')], ('rgbyuv', 'output_UV') : [('prefilter', 'input')], ('prefilter', 'output') : [('modulator', 'input')], ('modulator', 'output') : [('matrix', 'input')], ('matrix', 'output') : [('assemble', 'input2')], ('assemble', 'output') : [('postfilter', 'input')], ('postfilter', 'output') : [('self', 'output')], ('prefilter', 'filter') : [('self', 'pre_filt')], ('postfilter', 'response') : [('self', 'post_resp')], } ) class CoderCore(Compound): """Conventional PAL coder core. The input is YUV422, assumed to be Rec 601 13.5 MHz sampled. The output is sampled at 4 fsc. Other input sampling rates will work, but the output will not be a valid PAL signal. """ def __init__(self, config={}, **kwds): cfg = {} cfg.update(config) cfg.update(kwds) super(CoderCore, self).__init__( scale_Y = To4Fsc(outframe_pool_len=5), scale_UV = To4Fsc(up=922), prefilter = PreFilterUV(), modulator = ModulateUV(), matrix = UVtoC(), assemble = Arithmetic2( func='((data1 + data2) * pt_float(140.0 / 255.0)) + pt_float(64.0)'), config = cfg, config_map = { 'sc_phase' : ('modulator.sc_phase',), 'VAS_phase' : ('modulator.VAS_phase',), 'outframe_pool_len': ('assemble.outframe_pool_len',), }, linkages = { ('self', 'input_Y') : [('scale_Y', 'input')], ('scale_Y', 'output') : [('assemble', 'input1')], ('self', 'input_UV') : [('scale_UV', 'input')], ('scale_UV', 'output') : [('prefilter', 'input')], ('prefilter', 'output') : [('modulator', 'input')], ('modulator', 'output') : [('matrix', 'input')], ('matrix', 'output') : [('assemble', 'input2')], ('assemble', 'output') : [('self', 'output')], ('prefilter', 'filter') : [('self', 'pre_filt')], } )
jim-easterbrook/pyctools-pal
src/pyctools/components/pal/coder.py
Python
gpl-3.0
7,608
[ "Gaussian" ]
36a1a8792e18a7ddc2e50222ef899160fc749e39f512b56f2d199e15f3e9bdbd
# -*- coding: utf-8 -*- from __future__ import print_function import sys from itertools import chain from itertools import cycle import pytest import requests TEST_HOSTNAME = 'localhost' TEST_PORT = 4301 ANDROID_PHONE_UA = [ # Samsung Galaxy S6 'Mozilla/5.0 (Linux; Android 6.0.1; SM-G920V Build/MMB29K) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.98 Mobile Safari/537.36', # Samsung Galaxy S6 Edge Plus 'Mozilla/5.0 (Linux; Android 5.1.1; SM-G928X Build/LMY47X) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/47.0.2526.83 Mobile Safari/537.36', # Nexus 6P 'Mozilla/5.0 (Linux; Android 6.0.1; Nexus 6P Build/MMB29P) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/47.0.2526.83 Mobile Safari/537.36', # Sony Xperia Z5 'Mozilla/5.0 (Linux; Android 6.0.1; E6653 Build/32.2.A.0.253) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.98 Mobile Safari/537.36', # HTC One M9 'Mozilla/5.0 (Linux; Android 6.0; HTC One M9 Build/MRA58K) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.98 Mobile Safari/537.36', ] ANDROID_TABLET_UA = [ # Google Pixel C 'Mozilla/5.0 (Linux; Android 7.0; Pixel C Build/NRD90M; wv) AppleWebKit/537.36 (KHTML, like Gecko) Version/4.0 Chrome/52.0.2743.98 Safari/537.36', # Sony Xperia Z4 'Mozilla/5.0 (Linux; Android 6.0.1; SGP771 Build/32.2.A.0.253; wv) AppleWebKit/537.36 (KHTML, like Gecko) Version/4.0 Chrome/52.0.2743.98 Safari/537.36', # Nvidia Shield Tablet 'Mozilla/5.0 (Linux; Android 5.1.1; SHIELD Tablet Build/LMY48C) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.98 Safari/537.36', # Samsung Galaxy Tab A 'Mozilla/5.0 (Linux; Android 5.0.2; SAMSUNG SM-T550 Build/LRX22G) AppleWebKit/537.36 (KHTML, like Gecko) SamsungBrowser/3.3 Chrome/38.0.2125.102 Safari/537.36', ] ANDROID_WEBVIEW_UA = [ # KitKat 'Mozilla/5.0 (Linux; U; Android 4.1.1; en-gb; Build/KLP) AppleWebKit/534.30 (KHTML, like Gecko) Version/4.0 Safari/534.30', # Lillipop 'Mozilla/5.0 (Linux; Android 4.4; Nexus 5 Build/_BuildID_) AppleWebKit/537.36 (KHTML, like Gecko) Version/4.0 Chrome/30.0.0.0 Mobile Safari/537.36', # Lollipop+ 'Mozilla/5.0 (Linux; Android 5.1.1; Nexus 5 Build/LMY48B; wv) AppleWebKit/537.36 (KHTML, like Gecko) Version/4.0 Chrome/43.0.2357.65 Mobile Safari/537.36' ] IPHONE_UA = [ # iOS 7 'Mozilla/5.0 (iPhone; CPU iPhone OS 6_1_4 like Mac OS X) AppleWebKit/536.26 (KHTML, like Gecko) Version/6.0 Mobile/10B350 Safari/8536.25', # iOS 6 'Mozilla/5.0 (iPhone; CPU iPhone OS 6_1_3 like Mac OS X) AppleWebKit/536.26 (KHTML, like Gecko) Version/6.0 Mobile/10B329 Safari/8536.25', # iOS 5 'Mozilla/5.0 (iPhone; CPU iPhone OS 5_1_1 like Mac OS X) AppleWebKit/534.46 (KHTML, like Gecko) Version/5.1 Mobile/9B206 Safari/7534.48.3', ] IPAD_UA = [ # iOS 7 'Mozilla/5.0 (iPad; CPU OS 7_0 like Mac OS X) AppleWebKit/537.51.1 (KHTML, like Gecko) CriOS/30.0.1599.12 Mobile/11A465 Safari/8536.25 (3B92C18B-D9DE-4CB7-A02A-22FD2AF17C8F)', # iOS 5 'Mozilla/5.0 (iPad; CPU OS 5_1_1 like Mac OS X) AppleWebKit/534.46 (KHTML, like Gecko) Version/5.1 Mobile/9B206 Safari/7534.48.3' ] WINDOW_PHONE_UA = [ # MS Lumia 950 'Mozilla/5.0 (Windows Phone 10.0; Android 4.2.1; Microsoft; Lumia 950) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/46.0.2486.0 Mobile Safari/537.36 Edge/13.10586', ] DESKTOP_BROWSER_UA = [ # Firefox on Windows 'Mozilla/5.0 (Windows NT x.y; rv:10.0) Gecko/20100101 Firefox/10.0', # Firefox on OSX 'Mozilla/5.0 (Macintosh; Intel Mac OS X x.y; rv:10.0) Gecko/20100101 Firefox/10.0', # Firefox on Linux i686 'Mozilla/5.0 (X11; Linux i686; rv:10.0) Gecko/20100101 Firefox/10.0', # Firefox on Linux x86_64 'Mozilla/5.0 (X11; Linux x86_64; rv:10.0) Gecko/20100101 Firefox/10.0', # Google Chrome on Win 10 'Mozilla/5.0 (Windows NT 10.0; WOW64) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.116 Safari/537.36', # Google Chrome on Win 7 'Mozilla/5.0 (Windows NT 6.1; WOW64) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.116 Safari/537.36', # Google Chrome on OSX 'Mozilla/5.0 (Macintosh; Intel Mac OS X 10_11_6) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.116 Safari/537.36', # Google Chrome on Linux 'Mozilla/5.0 (X11; Linux x86_64) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/52.0.2743.116 Safari/537.36', # Firefox on Win 10 'Mozilla/5.0 (Windows NT 10.0; WOW64; rv:48.0) Gecko/20100101 Firefox/48.0', # Firefox on OSX 'Mozilla/5.0 (Macintosh; Intel Mac OS X 10.11; rv:47.0) Gecko/20100101 Firefox/47.0', # Firefox on Linux 'Mozilla/5.0 (X11; Linux x86_64; rv:45.0) Gecko/20100101 Firefox/45.0', # Safari on OSX 'Mozilla/5.0 (Macintosh; Intel Mac OS X 10_11_6) AppleWebKit/601.7.8 (KHTML, like Gecko) Version/9.1.3 Safari/601.7.8', # IE 11 on Win 7 'Mozilla/5.0 (Windows NT 6.1; WOW64; Trident/7.0; rv:11.0) like Gecko', ] MOBILE_BROWSER_UA = [ # Firefox on Android 'Mozilla/5.0 (Android; Mobile; rv:40.0) Gecko/40.0 Firefox/40.0', # Firefox OS phone 'Mozilla/5.0 (Mobile; rv:26.0) Gecko/26.0 Firefox/26.0', ] WHITELISTED_ROUTES = [ '/', '/comments/', '/login', '/message/', '/r/nba', '/register/', '/report', '/search', '/submit', '/submit_to_community', '/u/wting', '/vote/', '/help', '/w', '/wiki', '/apple-app-site-association', '/csp-report', '/error', '/favicon/64x64.png', '/favicon.ico', '/fonts/', '/health', '/img/', '/loginproxy', '/refreshproxy', '/registerproxy', '/logout', '/ProductionClient.feijofejoiefjio12343.css', '/ProductionClient.feijofejoiefjio12343.js', '/robots.txt', '/routes', '/timings', '/XXX?key=1239034&jijio132jio23', '/u/XXX?key=1239034&jijio132jio23', ] BLACKLISTED_ROUTES = [ '/gilded', '/thebutton', ] def is_mweb(resp): # We force www site to its own status code. return resp.status_code == 200 def is_soft_mweb(resp): # We're testing endpoints that may or may not exist, but really we just # care if we're routing to the www backend instead of actually 200'ing. return resp.status_code != 400 def is_www(resp): return resp.status_code == 400 @pytest.mark.parametrize( 'user_agent_string, validation_fn', chain( zip(DESKTOP_BROWSER_UA, cycle([is_www])), zip(ANDROID_PHONE_UA, cycle([is_mweb])), zip(ANDROID_TABLET_UA, cycle([is_mweb])), zip(ANDROID_WEBVIEW_UA, cycle([is_mweb])), zip(IPAD_UA, cycle([is_mweb])), zip(IPHONE_UA, cycle([is_mweb])), zip(WINDOW_PHONE_UA, cycle([is_mweb])), zip(MOBILE_BROWSER_UA, cycle([is_mweb])), ) ) def test_user_agent(user_agent_string, validation_fn): resp = requests.get( 'http://%s:%s/' % (TEST_HOSTNAME, TEST_PORT), headers={'User-Agent': user_agent_string}, ) assert validation_fn(resp) is True @pytest.mark.parametrize( 'user_agent_string, cookies, validation_fn', [ (DESKTOP_BROWSER_UA[0], None, is_www), (DESKTOP_BROWSER_UA[0], {'mweb-no-redirect': '0'}, is_www), (DESKTOP_BROWSER_UA[0], {'mweb-no-redirect': '1'}, is_www), (ANDROID_PHONE_UA[0], None, is_mweb), (ANDROID_PHONE_UA[0], {'mweb-no-redirect': '0'}, is_mweb), (ANDROID_PHONE_UA[0], {'mweb-no-redirect': '1'}, is_www), (MOBILE_BROWSER_UA[0], None, is_mweb), (MOBILE_BROWSER_UA[0], {'mweb-no-redirect': '0'}, is_mweb), (MOBILE_BROWSER_UA[0], {'mweb-no-redirect': '1'}, is_www), # Test multiple cookies where the override cookie can be in the middle # since we're using regex string detection. ( MOBILE_BROWSER_UA[0], { 'foo': 'bar', 'mweb-no-redirect': '1', 'zab': 'zoo', }, is_www ), ] ) def test_cookie_override(user_agent_string, cookies, validation_fn): resp = requests.get( 'http://%s:%s/' % (TEST_HOSTNAME, TEST_PORT), headers={'User-Agent': user_agent_string}, cookies=cookies, ) assert validation_fn(resp) is True @pytest.mark.parametrize( 'path, validation_fn', chain( zip(WHITELISTED_ROUTES, cycle([is_soft_mweb])), zip(BLACKLISTED_ROUTES, cycle([is_www])), ) ) def test_whitelisted_routes(path, validation_fn): resp = requests.get( 'http://%s:%s%s' % (TEST_HOSTNAME, TEST_PORT, path), headers={'User-Agent': MOBILE_BROWSER_UA[0]}, cookies=None, ) assert validation_fn(resp) is True if __name__ == '__main__': print('Make sure the docker-compose is up and run Python tests via tox.') sys.exit(1)
ajacksified/reddit-mobile
test/test_vcl.py
Python
mit
8,795
[ "Galaxy" ]
34517ae805d25b544fea7d67abb81859c521ffbaf184724510637bc082321d4f
import os from os.path import join import numpy as n def writeScript(rootName, plate): f=open(rootName+".sh",'w') f.write("#!/bin/bash \n") f.write("#PBS -l walltime=260:00:00 \n") f.write("#PBS -o "+plate+".o.$PBS_JOBID \n") f.write("#PBS -e "+plate+".e$PBS_JOBID \n") f.write("#PBS -M comparat@mpe.mpg.de \n") f.write("module load apps/anaconda/2.4.1 \n") f.write("module load apps/python/2.7.8/gcc-4.4.7 \n") f.write("export PYTHONPATH=$PYTHONPATH:/users/comparat/pySU/galaxy/python/ \n") f.write("export PYTHONPATH=$PYTHONPATH:/users/comparat/pySU/spm/python/ \n") f.write(" \n") f.write("cd /users/comparat/pySU/spm/bin \n") f.write("python run_stellarpop_ebossdr14_chabrier "+plate+" \n") f.write(" \n") f.close() plates = n.loadtxt( join(os.environ['EBOSSDR14_DIR'], "catalogs", "plateNumberList"), unpack=True, dtype='str') for plate in plates: rootName = join(os.environ['HOME'], "batch_dr14_firefly_chabrier", plate) writeScript(rootName, plate)
JohanComparat/pySU
spm/bin/write_run_scripts_dr14_chabrier.py
Python
cc0-1.0
973
[ "Galaxy" ]
3faf701da6819b246152b8a2a8f8ab5ba249c43eddfbc891ea2df800df7e3f2d
""" Utilities for handling the Graphic Unit Interface. .. todo:: Switch to Ttk instead of Tk for a better look of the GUI """ import Tkinter from tkFileDialog import askopenfilename import pygem as pg import sys import os import webbrowser from matplotlib.backends.backend_tkagg import FigureCanvasTkAgg from matplotlib.figure import Figure class Gui(object): """ The class for the Graphic Unit Interface. :cvar string filename_geometry: input geometry to be morphed. :cvar string filename_parameters: input parameters file for FFD. :cvar int check_var_1: dump or not the original FFD lattice. :cvar int check_var_2: dump or not the morphed FFD lattice. :cvar string outfilename: name of the output file geometry. The extension of the file is set automatically equal to the on of input file 'filename_geometry'. :cvar string outfilename_lattice_orig: name of the dumped file for the original lattice. The extension of the file is set automatically equal to '.vtk'. :cvar string outfilename_lattice_mod: name of the dumped file for the morphed lattice. The extension of the file is set automatically equal to '.vtk'. :cvar Tkinter.Tk root: main window object of the GUI. :cvar string print_geometry_path: geometry path to be printed close to the 'pick geometry' button. :cvar string print_parameter_path: parameters file path to be printed close to the 'pick parameters' button. :cvar Tkinter.Label label_geo: label related to 'print_geometry_path'. :cvar Tkinter.Label label_params: label related to 'print_parameters_path'. :cvar string url: url of the github page of PyGeM. :cvar Tkinter.Canvas logo_panel: canvas for PyGeM logo. :cvar Tkinter.PhotoImage img: PyGeM logo. :cvar Tkinter.Frame orig_geo_frame: frame for plotting of the original geometry. :cvar Tkinter.Frame mod_geo_frame: frame for plotting of the final geometry. """ def __init__(self): self.root = Tkinter.Tk() self.root.resizable(width=False, height=False) self.root.minsize(width=1400, height=400) self.root.maxsize(width=1400, height=400) self.root.title('PyGeM') self.filename_geometry = Tkinter.StringVar() self.filename_parameters = Tkinter.StringVar() self.check_var_1 = Tkinter.IntVar() self.check_var_2 = Tkinter.IntVar() self.outfilename = Tkinter.StringVar() self.outfilename_lattice_orig = Tkinter.StringVar() self.outfilename_lattice_mod = Tkinter.StringVar() self.print_geometry_path = Tkinter.StringVar() self.print_parameter_path = Tkinter.StringVar() self.label_geo = None self.label_params = None self.url = 'https://github.com/mathLab/PyGeM' self.logo_panel = None self.img = None self.orig_geo_frame = None self.mod_geo_frame = None def _chose_geometry(self): """ The private method explores the file system and allows to select the wanted geometry. Up to now, you can select only IGES, OpenFOAM, STL, UNV or VTK geometry file. """ self.filename_geometry = askopenfilename(filetypes=[("IGES File",('*.iges', '*.igs')), \ ("OpenFOAM File",'*'),('STL File','*.stl'),('UNV File','*.unv'),('VTK File','*.vtk'),('All','*')]) self.print_geometry_path.set(self.filename_geometry) self.label_geo.configure(fg='green') def _chose_parameters(self): """ The private method explores the file system and allows to select the wanted parameters file. It visualizes only .prm files. """ self.filename_parameters = askopenfilename(filetypes=[("Params File","*.prm")]) self.print_parameter_path.set(self.filename_parameters) self.label_params.configure(fg='green') def _run_simulation(self): """ The private method runs the geometrical morphing. """ params = pg.params.FFDParameters() params.read_parameters(filename=self.filename_parameters) (__,file_extension_in) = os.path.splitext(self.filename_geometry) if file_extension_in == '.stl': geo_handler = pg.stlhandler.StlHandler() elif file_extension_in in ['.iges', '.igs']: geo_handler = pg.igeshandler.IgesHandler() elif file_extension_in == '.unv': geo_handler = pg.unvhandler.UnvHandler() elif file_extension_in == '': geo_handler = pg.openfhandler.OpenFoamHandler() elif file_extension_in == '.vtk': geo_handler = pg.vtkhandler.VtkHandler() else: raise NotImplementedError("Format not implemented yet") mesh_points = geo_handler.parse(self.filename_geometry) free_form = pg.freeform.FFD(params, mesh_points) free_form.perform() new_mesh_points = free_form.modified_mesh_points geo_handler.write(new_mesh_points, self.outfilename.get() + file_extension_in) if self.check_var_1.get() == 1: pg.utils.write_bounding_box(params, self.outfilename_lattice_orig.get() + '.vtk', False) if self.check_var_2.get() == 1: pg.utils.write_bounding_box(params, self.outfilename_lattice_mod.get() + '.vtk', True) if file_extension_in in ['.vtk', '.stl', '.iges', '.igs']: figure_in = geo_handler.plot() figure_in.set_size_inches(4, 3) FigureCanvasTkAgg(figure_in, master=self.orig_geo_frame).get_tk_widget().grid(row=1, column=0, padx=5, pady=5) figure_out = geo_handler.plot(self.outfilename.get() + file_extension_in) figure_out.set_size_inches(4, 3) FigureCanvasTkAgg(figure_out, master=self.mod_geo_frame).get_tk_widget().grid(row=1, column=0, padx=5, pady=5) def _goto_website(self): """ The private method opens the PyGeM main page on github. It is used for info about PyGeM in the menu. """ webbrowser.open(self.url) def main(self): """ The method inizializes and visualizes the window. """ self.logo_panel = Tkinter.Canvas(self.root, height=60 , width=60) self.logo_panel.pack(side="bottom", padx=5, pady=5,anchor=Tkinter.SE) self.img = Tkinter.PhotoImage(master=self.logo_panel, file='readme/logo_PyGeM_gui.gif') self.logo_panel.create_image(35,35, image=self.img) self.orig_geo_frame = Tkinter.Frame(self.root, height=450, width=360, bg='#c1d0f0') self.orig_geo_frame.pack(side="left", padx=5, pady=5) self.orig_geo_frame.pack_propagate(0) Tkinter.Label(self.orig_geo_frame, text="INPUT GEOMETRY", bg='#c1d0f0', font=("Arial", 20)).grid(row=0, column=0, padx=3, pady=3) self.mod_geo_frame = Tkinter.Frame(self.root, height=450, width=360, bg='#80ff80', padx=5, pady=5) self.mod_geo_frame.pack(side="right", padx=5, pady=5) self.mod_geo_frame.pack_propagate(0) Tkinter.Label(self.mod_geo_frame, text="OUTPUT GEOMETRY", bg='#80ff80', font=("Arial", 20)).grid(row=0, column=0, padx=3, pady=3) code_frame = Tkinter.Frame(self.root, height=490, width=360, relief=Tkinter.GROOVE, borderwidth=1) code_frame.pack(padx=5, pady=5) code_frame.pack_propagate(0) # Buttons 1 Tkinter.Button(code_frame, text ="Pick the geometry", command = self._chose_geometry).grid(row=0, column=0, padx=3, pady=3) self.label_geo=Tkinter.Label(code_frame, textvariable=self.print_geometry_path, fg='red') self.print_geometry_path.set("No geometry chosen!") self.label_geo.grid(row=0, column=1, padx=3, pady=3) # Button 2 Tkinter.Button(code_frame, text ="Pick the parameters", command = self._chose_parameters).grid(row=1, column=0, padx=3, pady=3) self.label_params = Tkinter.Label(code_frame, textvariable=self.print_parameter_path, fg='red') self.print_parameter_path.set("No parameters file chosen!") self.label_params.grid(row=1, column=1, padx=3, pady=3) # Entry Tkinter.Label(code_frame, text="Output geometry file").grid(row=2, column=0, padx=3, pady=3) Tkinter.Entry(code_frame, bd =5, textvariable=self.outfilename).grid(row=2, column=1, padx=3, pady=3) # Checkboxes Tkinter.Checkbutton(code_frame, text = "Dump Original FFD lattice", variable = self.check_var_1, \ onvalue = 1, offvalue = 0, height=3, \ width = 20).grid(row=3, column=0) Tkinter.Entry(code_frame, bd =5, textvariable=self.outfilename_lattice_orig).grid(row=3, column=1) Tkinter.Checkbutton(code_frame, text = "Dump Morphed FFD lattice", variable = self.check_var_2, \ onvalue = 1, offvalue = 0, height=3, \ width = 20).grid(row=4, column=0) Tkinter.Entry(code_frame, bd =5, textvariable=self.outfilename_lattice_mod).grid(row=4, column=1) # Run button Tkinter.Button(code_frame, text ="Run PyGeM", command = self._run_simulation, bg='#065893', fg='#f19625', \ font='bold').grid(row=5, column=0, columnspan=2, padx=3, pady=3) # Menu menubar = Tkinter.Menu(self.root) helpmenu = Tkinter.Menu(menubar, tearoff=0) helpmenu.add_command(label="About...", command=self._goto_website) menubar.add_cascade(label="Help", menu=helpmenu) self.root.config(menu=menubar) def start(self): self.root.mainloop()
fsalmoir/PyGeM
pygem/gui.py
Python
mit
8,725
[ "VTK" ]
a084582cc605a066b771b5d75ecdac97b908f95538d33ab9287703ea826ddcac
# Authors: Alexandre Gramfort <alexandre.gramfort@inria.fr> # Mathieu Blondel <mathieu@mblondel.org> # Olivier Grisel <olivier.grisel@ensta.org> # License: BSD from collections import Sequence import numpy as np import scipy.sparse as sp from .utils import check_arrays, array2d from .utils import warn_if_not_float from .utils.fixes import unique from .base import BaseEstimator, TransformerMixin from .utils.sparsefuncs import inplace_csr_row_normalize_l1 from .utils.sparsefuncs import inplace_csr_row_normalize_l2 from .utils.sparsefuncs import inplace_csr_column_scale from .utils.sparsefuncs import mean_variance_axis0 __all__ = ['Binarizer', 'KernelCenterer', 'LabelBinarizer', 'LabelEncoder', 'Normalizer', 'Scaler', 'binarize', 'normalize', 'scale'] 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.asarray(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 or CSR matrix. 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). Notes ----- This implementation will refuse to center scipy.sparse matrices since it would make them non-sparse and would potentially crash the program with memory exhaustion problems. Instead the caller is expected to either set explicitly `with_mean=False` (in that case, only variance scaling will be performed on the features of the CSR matrix) or to call `X.toarray()` if he/she expects the materialized dense array to fit in memory. To avoid memory copy the caller should pass a CSR matrix. 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): if with_mean: raise ValueError( "Cannot center sparse matrices: pass `with_mean=False` instead" " See docstring for motivation and alternatives.") if axis != 0: raise ValueError("Can only scale sparse matrix on axis=0, " " got axis=%d" % axis) warn_if_not_float(X, estimator='The scale function') if not sp.isspmatrix_csr(X): X = X.tocsr() copy = False if copy: X = X.copy() _, var = mean_variance_axis0(X) var[var == 0.0] = 1.0 inplace_csr_column_scale(X, 1 / np.sqrt(var)) else: X = np.asarray(X) warn_if_not_float(X, estimator='The scale function') mean_, std_ = _mean_and_std( X, axis, with_mean=with_mean, with_std=with_std) if copy: X = X.copy() # Xr is a view on the original array that enables easy use of # broadcasting on the axis in which we are interested in 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 or CSR matrix 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): if self.with_mean: raise ValueError( "Cannot center sparse matrices: pass `with_mean=False` " "instead See docstring for motivation and alternatives.") warn_if_not_float(X, estimator=self) copy = self.copy if not sp.isspmatrix_csr(X): X = X.tocsr() copy = False if copy: X = X.copy() self.mean_ = None _, var = mean_variance_axis0(X) self.std_ = np.sqrt(var) self.std_[var == 0.0] = 1.0 return self else: X = np.asarray(X) warn_if_not_float(X, estimator=self) 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): if self.with_mean: raise ValueError( "Cannot center sparse matrices: pass `with_mean=False` " "instead See docstring for motivation and alternatives.") warn_if_not_float(X, estimator=self) if not sp.isspmatrix_csr(X): X = X.tocsr() copy = False if copy: X = X.copy() inplace_csr_column_scale(X, 1 / self.std_) else: X = np.asarray(X) warn_if_not_float(X, estimator=self) 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): if self.with_mean: raise ValueError( "Cannot uncenter sparse matrices: pass `with_mean=False` " "instead See docstring for motivation and alternatives.") if not sp.isspmatrix_csr(X): X = X.tocsr() copy = False if copy: X = X.copy() inplace_csr_column_scale(X, self.std_) else: X = np.asarray(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] warn_if_not_float(X, 'The normalize function') 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). Notes ----- 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_label_indicator_matrix(y): return hasattr(y, "shape") and len(y.shape) == 2 def _is_multilabel(y): # the explicit check for ndarray is for forward compatibility; future # versions of Numpy might want to register ndarray as a Sequence return not isinstance(y[0], np.ndarray) and isinstance(y[0], Sequence) \ and not isinstance(y[0], basestring) \ or _is_label_indicator_matrix(y) class LabelEncoder(BaseEstimator, TransformerMixin): """Encode labels with value between 0 and n_classes-1. Attributes ---------- `classes_`: array of shape [n_class] Holds the label for each class. Examples -------- `LabelEncoder` can be used to normalize labels. >>> from sklearn import preprocessing >>> le = preprocessing.LabelEncoder() >>> le.fit([1, 2, 2, 6]) LabelEncoder() >>> le.classes_ array([1, 2, 6]) >>> le.transform([1, 1, 2, 6]) #doctest: +ELLIPSIS array([0, 0, 1, 2]...) >>> le.inverse_transform([0, 0, 1, 2]) array([1, 1, 2, 6]) It can also be used to transform non-numerical labels (as long as they are hashable and comparable) to numerical labels. >>> le = preprocessing.LabelEncoder() >>> le.fit(["paris", "paris", "tokyo", "amsterdam"]) LabelEncoder() >>> list(le.classes_) ['amsterdam', 'paris', 'tokyo'] >>> le.transform(["tokyo", "tokyo", "paris"]) #doctest: +ELLIPSIS array([2, 2, 1]...) >>> list(le.inverse_transform([2, 2, 1])) ['tokyo', 'tokyo', 'paris'] """ def _check_fitted(self): if not hasattr(self, "classes_"): raise ValueError("LabelNormalizer was not fitted yet.") def fit(self, y): """Fit label encoder Parameters ---------- y : array-like of shape [n_samples] Target values. Returns ------- self : returns an instance of self. """ self.classes_ = np.unique(y) return self def fit_transform(self, y): """Fit label encoder and return encoded labels Parameters ---------- y : array-like of shape [n_samples] Target values. Returns ------- y : array-like of shape [n_samples] """ self.classes_, y = unique(y, return_inverse=True) return y def transform(self, y): """Transform labels to normalized encoding. Parameters ---------- y : array-like of shape [n_samples] Target values. Returns ------- y : array-like of shape [n_samples] """ self._check_fitted() classes = np.unique(y) if len(np.intersect1d(classes, self.classes_)) < len(classes): diff = np.setdiff1d(classes, self.classes_) raise ValueError("y contains new labels: %s" % str(diff)) return np.searchsorted(self.classes_, y) def inverse_transform(self, y): """Transform labels back to original encoding. Parameters ---------- y : numpy array of shape [n_samples] Target values. Returns ------- y : numpy array of shape [n_samples] """ self._check_fitted() y = np.asarray(y) return self.classes_[y] 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. Parameters ---------- neg_label: int (default: 0) Value with which negative labels must be encoded. pos_label: int (default: 1) Value with which positive labels must be encoded. Attributes ---------- `classes_`: array of shape [n_class] Holds the label for each class. Examples -------- >>> from sklearn import preprocessing >>> lb = preprocessing.LabelBinarizer() >>> lb.fit([1, 2, 6, 4, 2]) LabelBinarizer(neg_label=0, pos_label=1) >>> lb.classes_ array([1, 2, 4, 6]) >>> lb.transform([1, 6]) array([[1, 0, 0, 0], [0, 0, 0, 1]]) >>> lb.fit_transform([(1, 2), (3,)]) array([[1, 1, 0], [0, 0, 1]]) >>> lb.classes_ array([1, 2, 3]) """ def __init__(self, neg_label=0, pos_label=1): if neg_label >= pos_label: raise ValueError("neg_label must be strictly less than pos_label.") self.neg_label = neg_label self.pos_label = pos_label def _check_fitted(self): if not hasattr(self, "classes_"): raise ValueError("LabelBinarizer was not fitted yet.") 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: self.indicator_matrix_ = _is_label_indicator_matrix(y) if self.indicator_matrix_: self.classes_ = np.arange(y.shape[1]) else: self.classes_ = np.array(sorted(set.union(*map(set, 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] """ self._check_fitted() if self.multilabel or len(self.classes_) > 2: if _is_label_indicator_matrix(y): # nothing to do as y is already a label indicator matrix return y Y = np.zeros((len(y), len(self.classes_)), dtype=np.int) else: Y = np.zeros((len(y), 1), dtype=np.int) Y += self.neg_label 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]] = self.pos_label return Y else: y = np.asarray(y) if len(self.classes_) == 2: Y[y == self.classes_[1], 0] = self.pos_label return Y elif len(self.classes_) >= 2: for i, k in enumerate(self.classes_): Y[y == k, i] = self.pos_label return Y else: # Only one class, returns a matrix with all negative labels. return Y def inverse_transform(self, Y, threshold=None): """Transform binary labels back to multi-class labels Parameters ---------- Y : numpy array of shape [n_samples, n_classes] Target values. threshold : float or None Threshold used in the binary and multi-label cases. Use 0 when: - Y contains the output of decision_function (classifier) Use 0.5 when: - Y contains the output of predict_proba If None, the threshold is assumed to be half way between neg_label and pos_label. 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. Notes ----- 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. """ self._check_fitted() if threshold is None: half = (self.pos_label - self.neg_label) / 2.0 threshold = self.neg_label + half if self.multilabel: Y = np.array(Y > threshold, dtype=int) # Return the predictions in the same format as in fit if self.indicator_matrix_: # Label indicator matrix format return Y else: # Lists of tuples format 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, y=None): """Fit KernelCenterer Parameters ---------- K : numpy array of shape [n_samples, n_samples] Kernel matrix. Returns ------- self : returns an instance of self. """ K = array2d(K) 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, y=None, 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] """ K = array2d(K) 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
GbalsaC/bitnamiP
venv/lib/python2.7/site-packages/sklearn/preprocessing.py
Python
agpl-3.0
29,089
[ "Gaussian" ]
20228e7a9e46f5f4990f6ad0b560cefe7702cd506357796c9ea22b4f0eaf0ccb
import pysam from readtagger.cluster import evidence_for TEST_BAM = 'improve_counting_support.bam' GOOD_BREAKPOINT = [13813889, 13813894] WRONG_BREAKPOINT = 13813890 WRONG_BREAKPOINT_SEQS = {'ATATA', 'ATATA'} GOOD_BREAKPOINT_SEQS = {'TAAGT', 'GTAAC'} def test_evidence_for(datadir_copy): # noqa: D103 three_p_qname = 'HISEQ:788:H2G5VBCX2:1:2109:14202:61591' five_p_qname = 'HISEQ:788:H2G5VBCX2:1:2109:11125:90225' random_qname = 'HISEQ:785:H2G75BCX2:2:1202:6302:39767' three_p_read = _get_read(datadir_copy, qname=three_p_qname, is_read1=False) _breakpoint_and_sequence_combinations(three_p_read, should_be='three_p') five_p_read = _get_read(datadir_copy, qname=five_p_qname, is_read1=True) _breakpoint_and_sequence_combinations(five_p_read, breakpoint=1, should_be='five_p') random_read = _get_read(datadir_copy, qname=random_qname, is_read1=True) _breakpoint_and_sequence_combinations(random_read, should_be=False) def _get_read(datadir_copy, qname, is_read1): p = str(datadir_copy[TEST_BAM]) with pysam.AlignmentFile(p) as f: reads = [r for r in f if r.query_name == qname and r.is_read1 == is_read1] assert len(reads) == 1, "Should have 1 read, but got %d reads" % len(reads) return reads[0] def _breakpoint_and_sequence_combinations(read, breakpoint=0, should_be=False): assert evidence_for(read, {GOOD_BREAKPOINT[0]: WRONG_BREAKPOINT_SEQS}) is False, str(read) assert evidence_for(read, {WRONG_BREAKPOINT: GOOD_BREAKPOINT_SEQS}) is False, str(read) assert evidence_for(read, {GOOD_BREAKPOINT[breakpoint]: GOOD_BREAKPOINT_SEQS}) == should_be, str(read)
bardin-lab/readtagger
tests/test_evidence.py
Python
mit
1,650
[ "pysam" ]
548043c2fa77e00cd5621b25ca313b122fc62a463a3bddd4b870fe7d17264f3a
# Copyright (C) 2007 Google 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. # Unit tests for the schedule module. from __future__ import absolute_import from tests import util import transitfeed class MinimalWriteTestCase(util.TempFileTestCaseBase): """ This test case simply constructs an incomplete feed with very few fields set and ensures that there are no exceptions when writing it out. This is very similar to TransitFeedSampleCodeTestCase below, but that one will no doubt change as the sample code is altered. """ def runTest(self): schedule = transitfeed.Schedule() schedule.AddAgency("Sample Agency", "http://example.com", "America/Los_Angeles") route = transitfeed.Route() route.route_id = "SAMPLE_ID" route.route_type = 3 route.route_short_name = "66" route.route_long_name = "Sample Route acute letter e\202" schedule.AddRouteObject(route) service_period = transitfeed.ServicePeriod("WEEK") service_period.SetStartDate("20070101") service_period.SetEndDate("20071231") service_period.SetWeekdayService(True) schedule.AddServicePeriodObject(service_period) trip = transitfeed.Trip() trip.route_id = "SAMPLE_ID" trip.service_period = service_period trip.trip_id = "SAMPLE_TRIP" schedule.AddTripObject(trip) stop1 = transitfeed.Stop() stop1.stop_id = "STOP1" stop1.stop_name = u'Stop 1 acute letter e\202' stop1.stop_lat = 78.243587 stop1.stop_lon = 32.258937 schedule.AddStopObject(stop1) trip.AddStopTime(stop1, arrival_time="12:00:00", departure_time="12:00:00") stop2 = transitfeed.Stop() stop2.stop_id = "STOP2" stop2.stop_name = "Stop 2" stop2.stop_lat = 78.253587 stop2.stop_lon = 32.258937 schedule.AddStopObject(stop2) trip.AddStopTime(stop2, arrival_time="12:05:00", departure_time="12:05:00") schedule.Validate() schedule.WriteGoogleTransitFeed(self.tempfilepath) class ScheduleBuilderTestCase(util.TempFileTestCaseBase): """Tests for using a Schedule object to build a GTFS file.""" def testBuildFeedWithUtf8Names(self): problems = util.GetTestFailureProblemReporter(self) schedule = transitfeed.Schedule(problem_reporter=problems) schedule.AddAgency("\xc8\x8b Fly Agency", "http://iflyagency.com", "America/Los_Angeles") service_period = schedule.GetDefaultServicePeriod() service_period.SetDateHasService('20070101') # "u020b i with inverted accent breve" encoded in utf-8 stop1 = schedule.AddStop(lng=140, lat=48.2, name="\xc8\x8b hub") # "u020b i with inverted accent breve" as unicode string stop2 = schedule.AddStop(lng=140.001, lat=48.201, name=u"remote \u020b station") route = schedule.AddRoute(u"\u03b2", "Beta", "Bus") trip = route.AddTrip(schedule, u"to remote \u020b station") repr(stop1) repr(stop2) repr(route) repr(trip) trip.AddStopTime(stop1, schedule=schedule, stop_time='10:00:00') trip.AddStopTime(stop2, stop_time='10:10:00') schedule.Validate(problems) schedule.WriteGoogleTransitFeed(self.tempfilepath) read_schedule = \ transitfeed.Loader(self.tempfilepath, problems=problems, extra_validation=True).Load() self.assertEquals(u'\u020b Fly Agency', read_schedule.GetDefaultAgency().agency_name) self.assertEquals(u'\u03b2', read_schedule.GetRoute(route.route_id).route_short_name) self.assertEquals(u'to remote \u020b station', read_schedule.GetTrip(trip.trip_id).trip_headsign) def testBuildSimpleFeed(self): """Make a very simple feed using the Schedule class.""" problems = util.GetTestFailureProblemReporter(self, ("ExpirationDate", "NoServiceExceptions")) schedule = transitfeed.Schedule(problem_reporter=problems) schedule.AddAgency("Test Agency", "http://example.com", "America/Los_Angeles") service_period = schedule.GetDefaultServicePeriod() self.assertTrue(service_period.service_id) service_period.SetWeekdayService(has_service=True) service_period.SetStartDate("20070320") service_period.SetEndDate("20071231") stop1 = schedule.AddStop(lng=-140.12, lat=48.921, name="one forty at forty eight") stop2 = schedule.AddStop(lng=-140.22, lat=48.421, name="west and south") stop3 = schedule.AddStop(lng=-140.32, lat=48.121, name="more away") stop4 = schedule.AddStop(lng=-140.42, lat=48.021, name="more more away") route = schedule.AddRoute(short_name="R", long_name="My Route", route_type="Bus") self.assertTrue(route.route_id) self.assertEqual(route.route_short_name, "R") self.assertEqual(route.route_type, 3) trip = route.AddTrip(schedule, headsign="To The End", service_period=service_period) trip_id = trip.trip_id self.assertTrue(trip_id) trip = schedule.GetTrip(trip_id) self.assertEqual("To The End", trip.trip_headsign) self.assertEqual(service_period, trip.service_period) trip.AddStopTime(stop=stop1, arrival_secs=3600*8, departure_secs=3600*8) trip.AddStopTime(stop=stop2) trip.AddStopTime(stop=stop3, arrival_secs=3600*8 + 60*60, departure_secs=3600*8 + 60*60) trip.AddStopTime(stop=stop4, arrival_time="9:13:00", departure_secs=3600*8 + 60*103, stop_headsign="Last stop", pickup_type=1, drop_off_type=3) schedule.Validate() schedule.WriteGoogleTransitFeed(self.tempfilepath) read_schedule = \ transitfeed.Loader(self.tempfilepath, problems=problems, extra_validation=True).Load() self.assertEqual(4, len(read_schedule.GetTrip(trip_id).GetTimeStops())) self.assertEqual(1, len(read_schedule.GetRouteList())) self.assertEqual(4, len(read_schedule.GetStopList())) def testStopIdConflict(self): problems = util.GetTestFailureProblemReporter(self) schedule = transitfeed.Schedule(problem_reporter=problems) schedule.AddStop(lat=3, lng=4.1, name="stop1", stop_id="1") schedule.AddStop(lat=3, lng=4.0, name="stop0", stop_id="0") schedule.AddStop(lat=3, lng=4.2, name="stop2") schedule.AddStop(lat=3, lng=4.2, name="stop4", stop_id="4") # AddStop will try to use stop_id=4 first but it is taken schedule.AddStop(lat=3, lng=4.2, name="stop5") stop_list = sorted(schedule.GetStopList(), key=lambda s: s.stop_name) self.assertEqual("stop0 stop1 stop2 stop4 stop5", " ".join([s.stop_name for s in stop_list])) self.assertMatchesRegex(r"0 1 2 4 \d{7,9}", " ".join(s.stop_id for s in stop_list)) def testRouteIdConflict(self): problems = util.GetTestFailureProblemReporter(self) schedule = transitfeed.Schedule(problem_reporter=problems) route0 = schedule.AddRoute("0", "Long Name", "Bus") route1 = schedule.AddRoute("1", "", "Bus", route_id="1") route3 = schedule.AddRoute("3", "", "Bus", route_id="3") route_rand = schedule.AddRoute("R", "LNR", "Bus") route4 = schedule.AddRoute("4", "GooCar", "Bus") route_list = schedule.GetRouteList() route_list.sort(key=lambda r: r.route_short_name) self.assertEqual("0 1 3 4 R", " ".join(r.route_short_name for r in route_list)) self.assertMatchesRegex("0 1 3 4 \d{7,9}", " ".join(r.route_id for r in route_list)) self.assertEqual("Long Name,,,GooCar,LNR", ",".join(r.route_long_name for r in route_list)) def testTripIdConflict(self): problems = util.GetTestFailureProblemReporter(self) schedule = transitfeed.Schedule(problem_reporter=problems) service_period = schedule.GetDefaultServicePeriod() service_period.SetDateHasService("20070101") route = schedule.AddRoute("0", "Long Name", "Bus") route.AddTrip() route.AddTrip(schedule=schedule, headsign="hs1", service_period=service_period, trip_id="1") route.AddTrip(schedule, "hs2", service_period, "2") route.AddTrip(trip_id="4") route.AddTrip() # This will be given a random trip_id trip_list = sorted(schedule.GetTripList(), key=lambda t: int(t.trip_id)) self.assertMatchesRegex("0 1 2 4 \d{7,9}", " ".join(t.trip_id for t in trip_list)) self.assertEqual(",hs1,hs2,,", ",".join(t["trip_headsign"] for t in trip_list)) for t in trip_list: self.assertEqual(service_period.service_id, t.service_id) self.assertEqual(route.route_id, t.route_id) class WriteSampleFeedTestCase(util.TempFileTestCaseBase): def assertEqualTimeString(self, a, b): """Assert that a and b are equal, even if they don't have the same zero padding on the hour. IE 08:45:00 vs 8:45:00.""" if a[1] == ':': a = '0' + a if b[1] == ':': b = '0' + b self.assertEqual(a, b) def assertEqualWithDefault(self, a, b, default): """Assert that a and b are equal. Treat None and default as equal.""" if a == b: return if a in (None, default) and b in (None, default): return self.assertTrue(False, "a=%s b=%s" % (a, b)) def runTest(self): accumulator = util.RecordingProblemAccumulator( self, ignore_types=("ExpirationDate",)) problems = transitfeed.ProblemReporter(accumulator) schedule = transitfeed.Schedule(problem_reporter=problems) agency = transitfeed.Agency() agency.agency_id = "DTA" agency.agency_name = "Demo Transit Authority" agency.agency_url = "http://google.com" agency.agency_timezone = "America/Los_Angeles" agency.agency_lang = 'en' # Test that unknown columns, such as agency_mission, are preserved agency.agency_mission = "Get You There" schedule.AddAgencyObject(agency) routes = [] route_data = [ ("AB", "DTA", "10", "Airport - Bullfrog", 3), ("BFC", "DTA", "20", "Bullfrog - Furnace Creek Resort", 3), ("STBA", "DTA", "30", "Stagecoach - Airport Shuttle", 3), ("CITY", "DTA", "40", "City", 3), ("AAMV", "DTA", "50", "Airport - Amargosa Valley", 3) ] for route_entry in route_data: route = transitfeed.Route() (route.route_id, route.agency_id, route.route_short_name, route.route_long_name, route.route_type) = route_entry routes.append(route) schedule.AddRouteObject(route) shape_data = [ (36.915760, -116.751709), (36.905018, -116.763206), (36.902134, -116.777969), (36.904091, -116.788185), (36.883602, -116.814537), (36.874523, -116.795593), (36.873302, -116.786491), (36.869202, -116.784241), (36.868515, -116.784729), ] shape = transitfeed.Shape("BFC1S") for (lat, lon) in shape_data: shape.AddPoint(lat, lon) schedule.AddShapeObject(shape) week_period = transitfeed.ServicePeriod() week_period.service_id = "FULLW" week_period.start_date = "20070101" week_period.end_date = "20071231" week_period.SetWeekdayService() week_period.SetWeekendService() week_period.SetDateHasService("20070604", False) schedule.AddServicePeriodObject(week_period) weekend_period = transitfeed.ServicePeriod() weekend_period.service_id = "WE" weekend_period.start_date = "20070101" weekend_period.end_date = "20071231" weekend_period.SetWeekendService() schedule.AddServicePeriodObject(weekend_period) stops = [] stop_data = [ ("FUR_CREEK_RES", "Furnace Creek Resort (Demo)", 36.425288, -117.133162, "zone-a", "1234"), ("BEATTY_AIRPORT", "Nye County Airport (Demo)", 36.868446, -116.784682, "zone-a", "1235"), ("BULLFROG", "Bullfrog (Demo)", 36.88108, -116.81797, "zone-b", "1236"), ("STAGECOACH", "Stagecoach Hotel & Casino (Demo)", 36.915682, -116.751677, "zone-c", "1237"), ("NADAV", "North Ave / D Ave N (Demo)", 36.914893, -116.76821, "", ""), ("NANAA", "North Ave / N A Ave (Demo)", 36.914944, -116.761472, "", ""), ("DADAN", "Doing AVe / D Ave N (Demo)", 36.909489, -116.768242, "", ""), ("EMSI", "E Main St / S Irving St (Demo)", 36.905697, -116.76218, "", ""), ("AMV", "Amargosa Valley (Demo)", 36.641496, -116.40094, "", ""), ] for stop_entry in stop_data: stop = transitfeed.Stop() (stop.stop_id, stop.stop_name, stop.stop_lat, stop.stop_lon, stop.zone_id, stop.stop_code) = stop_entry schedule.AddStopObject(stop) stops.append(stop) # Add a value to an unknown column and make sure it is preserved schedule.GetStop("BULLFROG").stop_sound = "croak!" trip_data = [ ("AB", "FULLW", "AB1", "to Bullfrog", "0", "1", None), ("AB", "FULLW", "AB2", "to Airport", "1", "2", None), ("STBA", "FULLW", "STBA", "Shuttle", None, None, None), ("CITY", "FULLW", "CITY1", None, "0", None, None), ("CITY", "FULLW", "CITY2", None, "1", None, None), ("BFC", "FULLW", "BFC1", "to Furnace Creek Resort", "0", "1", "BFC1S"), ("BFC", "FULLW", "BFC2", "to Bullfrog", "1", "2", None), ("AAMV", "WE", "AAMV1", "to Amargosa Valley", "0", None, None), ("AAMV", "WE", "AAMV2", "to Airport", "1", None, None), ("AAMV", "WE", "AAMV3", "to Amargosa Valley", "0", None, None), ("AAMV", "WE", "AAMV4", "to Airport", "1", None, None), ] trips = [] for trip_entry in trip_data: trip = transitfeed.Trip() (trip.route_id, trip.service_id, trip.trip_id, trip.trip_headsign, trip.direction_id, trip.block_id, trip.shape_id) = trip_entry trips.append(trip) schedule.AddTripObject(trip) stop_time_data = { "STBA": [("6:00:00", "6:00:00", "STAGECOACH", None, None, None, None), ("6:20:00", "6:20:00", "BEATTY_AIRPORT", None, None, None, None)], "CITY1": [("6:00:00", "6:00:00", "STAGECOACH", 1.34, 0, 0, "stop 1"), ("6:05:00", "6:07:00", "NANAA", 2.40, 1, 2, "stop 2"), ("6:12:00", "6:14:00", "NADAV", 3.0, 2, 2, "stop 3"), ("6:19:00", "6:21:00", "DADAN", 4, 2, 2, "stop 4"), ("6:26:00", "6:28:00", "EMSI", 5.78, 2, 3, "stop 5")], "CITY2": [("6:28:00", "6:28:00", "EMSI", None, None, None, None), ("6:35:00", "6:37:00", "DADAN", None, None, None, None), ("6:42:00", "6:44:00", "NADAV", None, None, None, None), ("6:49:00", "6:51:00", "NANAA", None, None, None, None), ("6:56:00", "6:58:00", "STAGECOACH", None, None, None, None)], "AB1": [("8:00:00", "8:00:00", "BEATTY_AIRPORT", None, None, None, None), ("8:10:00", "8:15:00", "BULLFROG", None, None, None, None)], "AB2": [("12:05:00", "12:05:00", "BULLFROG", None, None, None, None), ("12:15:00", "12:15:00", "BEATTY_AIRPORT", None, None, None, None)], "BFC1": [("8:20:00", "8:20:00", "BULLFROG", None, None, None, None), ("9:20:00", "9:20:00", "FUR_CREEK_RES", None, None, None, None)], "BFC2": [("11:00:00", "11:00:00", "FUR_CREEK_RES", None, None, None, None), ("12:00:00", "12:00:00", "BULLFROG", None, None, None, None)], "AAMV1": [("8:00:00", "8:00:00", "BEATTY_AIRPORT", None, None, None, None), ("9:00:00", "9:00:00", "AMV", None, None, None, None)], "AAMV2": [("10:00:00", "10:00:00", "AMV", None, None, None, None), ("11:00:00", "11:00:00", "BEATTY_AIRPORT", None, None, None, None)], "AAMV3": [("13:00:00", "13:00:00", "BEATTY_AIRPORT", None, None, None, None), ("14:00:00", "14:00:00", "AMV", None, None, None, None)], "AAMV4": [("15:00:00", "15:00:00", "AMV", None, None, None, None), ("16:00:00", "16:00:00", "BEATTY_AIRPORT", None, None, None, None)], } for trip_id, stop_time_list in stop_time_data.items(): for stop_time_entry in stop_time_list: (arrival_time, departure_time, stop_id, shape_dist_traveled, pickup_type, drop_off_type, stop_headsign) = stop_time_entry trip = schedule.GetTrip(trip_id) stop = schedule.GetStop(stop_id) trip.AddStopTime(stop, arrival_time=arrival_time, departure_time=departure_time, shape_dist_traveled=shape_dist_traveled, pickup_type=pickup_type, drop_off_type=drop_off_type, stop_headsign=stop_headsign) self.assertEqual(0, schedule.GetTrip("CITY1").GetStopTimes()[0].pickup_type) self.assertEqual(1, schedule.GetTrip("CITY1").GetStopTimes()[1].pickup_type) headway_data = [ ("STBA", "6:00:00", "22:00:00", 1800), ("CITY1", "6:00:00", "7:59:59", 1800), ("CITY2", "6:00:00", "7:59:59", 1800), ("CITY1", "8:00:00", "9:59:59", 600), ("CITY2", "8:00:00", "9:59:59", 600), ("CITY1", "10:00:00", "15:59:59", 1800), ("CITY2", "10:00:00", "15:59:59", 1800), ("CITY1", "16:00:00", "18:59:59", 600), ("CITY2", "16:00:00", "18:59:59", 600), ("CITY1", "19:00:00", "22:00:00", 1800), ("CITY2", "19:00:00", "22:00:00", 1800), ] headway_trips = {} for headway_entry in headway_data: (trip_id, start_time, end_time, headway) = headway_entry headway_trips[trip_id] = [] # adding to set to check later trip = schedule.GetTrip(trip_id) trip.AddFrequency(start_time, end_time, headway, 0, problems) for trip_id in headway_trips: headway_trips[trip_id] = \ schedule.GetTrip(trip_id).GetFrequencyTuples() fare_data = [ ("p", 1.25, "USD", 0, 0), ("a", 5.25, "USD", 0, 0), ] fares = [] for fare_entry in fare_data: fare = transitfeed.FareAttribute(fare_entry[0], fare_entry[1], fare_entry[2], fare_entry[3], fare_entry[4]) fares.append(fare) schedule.AddFareAttributeObject(fare) fare_rule_data = [ ("p", "AB", "zone-a", "zone-b", None), ("p", "STBA", "zone-a", None, "zone-c"), ("p", "BFC", None, "zone-b", "zone-a"), ("a", "AAMV", None, None, None), ] for fare_id, route_id, orig_id, dest_id, contains_id in fare_rule_data: rule = transitfeed.FareRule( fare_id=fare_id, route_id=route_id, origin_id=orig_id, destination_id=dest_id, contains_id=contains_id) schedule.AddFareRuleObject(rule, problems) schedule.Validate(problems) accumulator.AssertNoMoreExceptions() schedule.WriteGoogleTransitFeed(self.tempfilepath) read_schedule = \ transitfeed.Loader(self.tempfilepath, problems=problems, extra_validation=True).Load() e = accumulator.PopException("UnrecognizedColumn") self.assertEqual(e.file_name, "agency.txt") self.assertEqual(e.column_name, "agency_mission") e = accumulator.PopException("UnrecognizedColumn") self.assertEqual(e.file_name, "stops.txt") self.assertEqual(e.column_name, "stop_sound") accumulator.AssertNoMoreExceptions() self.assertEqual(1, len(read_schedule.GetAgencyList())) self.assertEqual(agency, read_schedule.GetAgency(agency.agency_id)) self.assertEqual(len(routes), len(read_schedule.GetRouteList())) for route in routes: self.assertEqual(route, read_schedule.GetRoute(route.route_id)) self.assertEqual(2, len(read_schedule.GetServicePeriodList())) self.assertEqual(week_period, read_schedule.GetServicePeriod(week_period.service_id)) self.assertEqual(weekend_period, read_schedule.GetServicePeriod(weekend_period.service_id)) self.assertEqual(len(stops), len(read_schedule.GetStopList())) for stop in stops: self.assertEqual(stop, read_schedule.GetStop(stop.stop_id)) self.assertEqual("croak!", read_schedule.GetStop("BULLFROG").stop_sound) self.assertEqual(len(trips), len(read_schedule.GetTripList())) for trip in trips: self.assertEqual(trip, read_schedule.GetTrip(trip.trip_id)) for trip_id in headway_trips: self.assertEqual(headway_trips[trip_id], read_schedule.GetTrip(trip_id).GetFrequencyTuples()) for trip_id, stop_time_list in stop_time_data.items(): trip = read_schedule.GetTrip(trip_id) read_stoptimes = trip.GetStopTimes() self.assertEqual(len(read_stoptimes), len(stop_time_list)) for stop_time_entry, read_stoptime in zip(stop_time_list, read_stoptimes): (arrival_time, departure_time, stop_id, shape_dist_traveled, pickup_type, drop_off_type, stop_headsign) = stop_time_entry self.assertEqual(stop_id, read_stoptime.stop_id) self.assertEqual(read_schedule.GetStop(stop_id), read_stoptime.stop) self.assertEqualTimeString(arrival_time, read_stoptime.arrival_time) self.assertEqualTimeString(departure_time, read_stoptime.departure_time) self.assertEqual(shape_dist_traveled, read_stoptime.shape_dist_traveled) self.assertEqualWithDefault(pickup_type, read_stoptime.pickup_type, 0) self.assertEqualWithDefault(drop_off_type, read_stoptime.drop_off_type, 0) self.assertEqualWithDefault(stop_headsign, read_stoptime.stop_headsign, '') self.assertEqual(len(fares), len(read_schedule.GetFareAttributeList())) for fare in fares: self.assertEqual(fare, read_schedule.GetFareAttribute(fare.fare_id)) read_fare_rules_data = [] for fare in read_schedule.GetFareAttributeList(): for rule in fare.GetFareRuleList(): self.assertEqual(fare.fare_id, rule.fare_id) read_fare_rules_data.append((fare.fare_id, rule.route_id, rule.origin_id, rule.destination_id, rule.contains_id)) fare_rule_data.sort() read_fare_rules_data.sort() self.assertEqual(len(read_fare_rules_data), len(fare_rule_data)) for rf, f in zip(read_fare_rules_data, fare_rule_data): self.assertEqual(rf, f) self.assertEqual(1, len(read_schedule.GetShapeList())) self.assertEqual(shape, read_schedule.GetShape(shape.shape_id))
zarnold/transitfeed
tests/transitfeed/testschedule_write.py
Python
apache-2.0
23,071
[ "CASINO" ]
89db0e4ae6d34c9aa072d5eb7f7d9d4d5a26361e9b06f6b3b5b52f0305096893
#!/usr/bin/python """ gene_server v0.01 - a xmlrpc server providing a storage/query service for the GA trade system Copyright 2011 Brian Monkaba This file is part of ga-bitbot. ga-bitbot 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. ga-bitbot 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 ga-bitbot. If not, see <http://www.gnu.org/licenses/>. """ # # gene server # - a xmlrpc server providing a storage/query/configuration/monitoring service for the GA trade system # import gene_server_config __server__ = gene_server_config.__server__ __port__ = gene_server_config.__port__ __path__ = "/gene" import sys import time import json import hashlib import SocketServer from SimpleXMLRPCServer import SimpleXMLRPCServer from SimpleXMLRPCServer import SimpleXMLRPCRequestHandler from operator import itemgetter, attrgetter from copy import deepcopy from threading import Lock import paths import call_metrics quit = 0 MAX_PID_MESSAGE_BUFFER_SIZE = 255 AUTO_BACKUP_AFTER_N_SAVES = 60 max_len = 600 max_bobs = 1000 # The default group is set by the first client connection. g_default_group_set = False g_undefined_gene_def_hash = '0db45d2a4141101bdfe48e3314cfbca3' #precalculated md5 hash of the UNDEFINED gene_def config. g_default_group_gene_def_hash = g_undefined_gene_def_hash g_gene_conf = {'gene_def_hash':g_undefined_gene_def_hash,'gene_def':'UNDEFINED','gene_high_scores':[[],[],[],[]],'gene_best':[[],[],[],[]],'g_trgt':json.dumps({'buy':0}),'g_active_quartile':0,'trade_enabled':0,'trade_priority':0} g_gene_library = {'0db45d2a4141101bdfe48e3314cfbca3':deepcopy(g_gene_conf)} #default library starts with the default UNDEFINED group. g_signed_package_library = {} g_save_counter = 0 g_trgt = json.dumps({'buy':0}) g_active_quartile = 0 g_d = [[],[],[],[]] #default group high scores - quartiles 1-4 g_bobs = [[],[],[],[]] #default group best of the best - quartiles 1-4 g_pids = {} def echo(msg): return msg @call_metrics.call_metrics def put_signed_package(package): global g_signed_package_library try: package = json.loads(package) except: return "NOK" g_signed_package_library.update({package['package_name']:package}) return "OK" @call_metrics.call_metrics def get_signed_package(package_name): global g_signed_package_library if g_signed_package_library.has_key(package_name): return json.dumps(g_signed_package_library[package_name]) return "NOK" @call_metrics.call_metrics def check_signed_package(package_name,MD5): """ used by clients to check that local packages are in synch with the signed package library """ global g_signed_package_library if g_signed_package_library.has_key(package_name): if g_signed_package_library[package_name]['MD5'] == MD5: return "OK" return "NOK" return "NA" @call_metrics.call_metrics def trade_enable(state,gdh): """ sets the trade_enable state state = 0, disable trading state = 1, enable trading """ global g_gene_library try: state = int(state) except: return "NOK : state",state if not (state==1 or state==0): return "NOK : val" if not g_gene_library.has_key(gdh): return "NOK : gdh",gdh g_gene_library[gdh]['trade_enabled'] = state return "OK" @call_metrics.call_metrics def trade_priority(priority,gdh): """ sets the trade priority priority = 0, highest priority . . priority = 9, lowest priority """ global g_gene_library try: priority = int(priority) except: return "NOK:priority",priority if (priority < 0 or priority > 9): return "NOK:val",priority if not g_gene_library.has_key(gdh): return "NOK:gdh",gdh g_gene_library[gdh]['trade_priority'] = priority return "OK" @call_metrics.call_metrics def put_target(target,pid=None): global g_trgt global g_gene_library gdh = get_pid_gene_def_hash(pid) g_gene_library[gdh]['g_trgt'] = target return "OK" @call_metrics.call_metrics def get_target(pid=None): global g_trgt global g_gene_library gdh = get_pid_gene_def_hash(pid) return g_gene_library[gdh]['g_trgt'] @call_metrics.call_metrics def put_active_quartile(quartile,pid=None): global g_active_quartile global g_gene_library g_active_quartile = quartile gdh = get_pid_gene_def_hash(pid) g_gene_library[gdh]['g_active_quartile'] = quartile if gdh == g_default_group_gene_def_hash: g_active_quartile = quartile return "OK" @call_metrics.call_metrics def get_active_quartile(pid=None): global g_active_quartile global g_gene_library gdh = get_pid_gene_def_hash(pid) #return g_gene_library[gdh]['g_active_quartile'] return g_active_quartile @call_metrics.call_metrics def get_gene(n_sec,quartile,pid = None): global g_d global g_bobs global g_gene_library gdh = get_pid_gene_def_hash(pid) t = time.time() - n_sec #get the highest score calculated within the last n seconds #or return the latest if none are found. r = [] #collect the high scoring records for a_d in g_gene_library[gdh]['gene_high_scores'][quartile - 1]: if a_d['time'] > t: r.append(a_d) #collect the bob records for a_d in g_gene_library[gdh]['gene_best'][quartile - 1]: if a_d['time'] > t: r.append(a_d) #if no records found, grab the most recent if len(r) == 0 and len(g_gene_library[gdh]['gene_high_scores'][quartile - 1]) > 0: r = sorted(g_gene_library[gdh]['gene_high_scores'][quartile - 1], key=itemgetter('time'),reverse = True)[0] print "get",r['time'],r['score'] elif len(g_gene_library[gdh]['gene_high_scores'][quartile - 1]) > 0: #if more than one record found find the highest scoring one r = sorted(r, key=itemgetter('score'),reverse = True)[0] print "get",r['time'],r['score'] else: r = {} return json.dumps(r) @call_metrics.call_metrics def get_all_genes(quartile,pid = None): global g_d global g_gene_library gdh = get_pid_gene_def_hash(pid) return json.dumps(sorted(g_gene_library[gdh]['gene_high_scores'][quartile - 1], key=itemgetter('score'))) #return json.dumps(sorted(g_d[quartile - 1], key=itemgetter('score'))) @call_metrics.call_metrics def get_bobs(quartile,pid = None): global g_bobs global g_gene_library gdh = get_pid_gene_def_hash(pid) return json.dumps(sorted(g_gene_library[gdh]['gene_best'][quartile - 1], key=itemgetter('score'))) #return json.dumps(sorted(g_bobs[quartile - 1], key=itemgetter('score'))) @call_metrics.call_metrics def put_gene(d,quartile,pid = None): global g_d global g_bobs global g_gene_library gdh = get_pid_gene_def_hash(pid) #dictionary must have two key values, time & score #add the record and sort the dictionary list d = json.loads(d) if any(adict['gene'] == d['gene'] for adict in g_gene_library[gdh]['gene_high_scores'][quartile - 1]): print "put_gene: duplicate gene detected" for i in xrange(len(g_gene_library[gdh]['gene_high_scores'][quartile - 1])): if g_gene_library[gdh]['gene_high_scores'][quartile - 1][i]['gene'] == d['gene']: print "put_gene: removing previous record" g_gene_library[gdh]['gene_high_scores'][quartile - 1].pop(i) break if d['score'] != -987654321.12346: #timestamp the gene submission d['time'] = time.time() g_gene_library[gdh]['gene_high_scores'][quartile - 1].append(d) g_gene_library[gdh]['gene_high_scores'][quartile - 1] = sorted(g_gene_library[gdh]['gene_high_scores'][quartile - 1], key=itemgetter('score'),reverse = True) print "put",d['time'],d['score'] #prune the dictionary list if len(g_gene_library[gdh]['gene_high_scores'][quartile - 1]) > max_len: g_gene_library[gdh]['gene_high_scores'][quartile - 1] = g_gene_library[gdh]['gene_high_scores'][quartile - 1][:max_len] #update the bob dict if needed. if any(adict['gene'] == d['gene'] for adict in g_gene_library[gdh]['gene_best'][quartile - 1]): print "put_gene: BOB gene detected" #update the gene put_bob(json.dumps(d),quartile,pid) return "OK" @call_metrics.call_metrics def put_gene_buffered(d_buffer,quartile,pid = None): for d in d_buffer: put_gene(d,quartile,pid) return "OK" @call_metrics.call_metrics def put_bob(d,quartile,pid = None): global g_bobs global g_gene_library gdh = get_pid_gene_def_hash(pid) #dictionary must have two key values, time & score #add the record and sort the dictionary list d = json.loads(d) if any(adict['gene'] == d['gene'] for adict in g_gene_library[gdh]['gene_best'][quartile - 1]): print "put_bob: duplicate gene detected" for i in xrange(len(g_gene_library[gdh]['gene_best'][quartile - 1])): if g_gene_library[gdh]['gene_best'][quartile - 1][i]['gene'] == d['gene']: print "put_bob: removing previous record" g_gene_library[gdh]['gene_best'][quartile - 1].pop(i) break if d['score'] != -987654321.12346: #timestamp the gene submission d['time'] = time.time() g_gene_library[gdh]['gene_best'][quartile - 1].append(d) g_gene_library[gdh]['gene_best'][quartile - 1] = sorted(g_gene_library[gdh]['gene_best'][quartile - 1], key=itemgetter('score'),reverse = True) print "put bob",d['time'],d['score'] #prune the dictionary list if len(g_gene_library[gdh]['gene_best'][quartile - 1]) > max_bobs: g_gene_library[gdh]['gene_best'][quartile - 1] = g_gene_library[gdh]['gene_best'][quartile - 1][:max_bobs] return "OK" #remote process services @call_metrics.call_metrics def pid_register_gene_def(pid,gene_def): global g_pids global g_gene_library global g_gene_conf #calc the hash of gene_def conf_hash = hashlib.md5(gene_def).hexdigest() if conf_hash in g_gene_library.keys(): #gene_def already exists pass else: gc = deepcopy(g_gene_conf) gc['gene_def_hash'] = conf_hash gc['gene_def'] = gene_def g_gene_library.update({conf_hash:gc}) pid_register_client(pid,conf_hash) return conf_hash @call_metrics.call_metrics def pid_register_client(pid,gene_def_hash): global g_pids global g_gene_library global g_default_group_gene_def_hash global g_default_group_set print pid,gene_def_hash if gene_def_hash in g_gene_library.keys(): #the first registered client sets the default group if g_default_group_set == False: g_default_group_set = True g_default_group_gene_def_hash = gene_def_hash pid_alive(pid) g_pids[pid].update({'gene_def_hash':gene_def_hash}) return "OK" return "NOK:HASH NOT FOUND:"+gene_def_hash @call_metrics.call_metrics def pid_alive(pid): global g_pids global g_undefined_gene_def_hash global g_default_group_gene_def_hash global g_default_group_set #pid ping (watchdog reset) if pid in g_pids.keys(): #existing pid g_pids[pid]['watchdog_reset'] = time.time() else: #new pid g_pids.update({pid:{'watchdog_reset':time.time(),'msg_buffer':[],'gene_def_hash':None}}) pid_register_gene_def(pid,"UNDEFINED") #g_undefined_gene_def_hash if g_default_group_set == False: g_default_group_set = True g_default_group_gene_def_hash = g_undefined_gene_def_hash return "OK" @call_metrics.call_metrics def pid_check(pid,time_out): global g_pids #check for PID watchdog timeout (seconds) if pid in g_pids.keys(): dt = time.time() - g_pids[pid]['watchdog_reset'] if dt > time_out: return "NOK" else: return "OK" else: return "NOK" @call_metrics.call_metrics def pid_remove(pid): global g_pids try: g_pids.pop(pid) except: pass return "OK" @call_metrics.call_metrics def pid_msg(pid,msg): global g_pids #append a message to the PID buffer if pid in g_pids.keys(): #existing pid g_pids[pid]['msg_buffer'].insert(0,msg) #limit the message buffer size if len(g_pids[pid]['msg_buffer']) > MAX_PID_MESSAGE_BUFFER_SIZE: g_pids[pid]['msg_buffer'] = g_pids[pid]['msg_buffer'][:-1] return "OK" else: return "NOK" @call_metrics.call_metrics def pid_list(ping_seconds=9999999): global g_pids pids = [] for pid in g_pids.keys(): if pid_check(pid,ping_seconds) == "OK": pids.append(pid) return json.dumps(pids) @call_metrics.call_metrics def get_pids(): global g_pids js_pids = json.dumps(g_pids) #clear the message buffers #for pid in g_pids.keys(): # g_pids[pid]['msg_buffer'] = '' return js_pids def get_pid_gene_def_hash(pid): global g_pids global g_undefined_gene_def_hash if pid == None: return g_undefined_gene_def_hash elif pid in g_pids.keys(): return g_pids[pid]['gene_def_hash'] else: return "NOK:PID_NOT_FOUND" @call_metrics.call_metrics def get_default_gene_def_hash(): global g_default_group_gene_def_hash return json.dumps(g_default_group_gene_def_hash) @call_metrics.call_metrics def get_gene_def_hash_list(): global g_gene_library return json.dumps(g_gene_library.keys()) @call_metrics.call_metrics def get_gene_def(gene_def_hash): global g_gene_library if gene_def_hash in g_gene_library.keys(): return g_gene_library[gene_def_hash]['gene_def'] return json.dumps('NOK:NOT_FOUND') @call_metrics.call_metrics def set_default_gene_def_hash(gd_hash): global g_default_group_gene_def_hash if get_gene_def(gd_hash).find('NOK:') < 0: g_default_group_set = True g_default_group_gene_def_hash = gd_hash return json.dumps(gd_hash) #system services def shutdown(): global quit quit = 1 save_db() return 1 @call_metrics.call_metrics def get_db(): global g_gene_library return json.dumps(g_gene_library) @call_metrics.call_metrics def get_db_stripped(): global g_gene_library #sdb = deepcopy(g_gene_library) #for key in sdb: # sdb[key].pop('gene_def') # sdb[key].pop('gene_high_scores') # sdb[key].pop('gene_best') #return json.dumps(sdb) strip_list = ['gene_def','gene_high_scores','gene_best'] sdbl = {} for db_key in g_gene_library: sdb = {} for item_key in g_gene_library[db_key]: if not item_key in strip_list: sdb.update({item_key:g_gene_library[db_key][item_key]}) sdbl.update({db_key:sdb}) return json.dumps(sdbl) @call_metrics.call_metrics def save_db(): global AUTO_BACKUP_AFTER_N_SAVES global g_save_counter global g_gene_library global g_signed_package_library g_save_counter += 1 if g_save_counter == AUTO_BACKUP_AFTER_N_SAVES: g_save_counter = 0 backup = True else: backup = False #embed the signed package library into the gene library g_gene_library.update({'signed_package_library':g_signed_package_library}) if backup: f = open('./config/gene_server_db_library.json.bak','w') f.write(json.dumps(g_gene_library)) f.close() f = open('./config/gene_server_db_library.json','w') f.write(json.dumps(g_gene_library)) #pop the signed package library back out of the gene library g_gene_library.pop('signed_package_library') return 'OK' @call_metrics.call_metrics def reload_db(): global g_gene_library global g_signed_package_library import os reload_error = False #save the gene db before shut down print "reloading stored gene data into server..." # # migrate any old style db archives from old db format into the new format...delete the old files once migrated # for quartile in [1,2,3,4]: try: f = open('./config/gene_server_db_backup_quartile' + str(quartile) + '.json','r') d = json.loads(f.read()) f.close() for g in d['bobs']: put_bob(json.dumps(g),quartile) for g in d['high_scores']: put_gene(json.dumps(g),quartile) reload_error = True #force load the backup too save_db() #save using the new format #delete the old format files once loaded. os.remove('./config/gene_server_db_backup_quartile' + str(quartile) + '.json') except: reload_error = True #migrate the backups too... if reload_error == True: for quartile in [1,2,3,4]: try: f = open('./config/gene_server_db_backup_quartile' + str(quartile) + '.json.bak','r') d = json.loads(f.read()) f.close() for g in d['bobs']: put_bob(json.dumps(g),quartile) for g in d['high_scores']: put_gene(json.dumps(g),quartile) save_db() #save using the new format #delete the old format files once loaded. os.remove('./config/gene_server_db_backup_quartile' + str(quartile) + '.json.bak') except: reload_error = True pass #try to load new db archive format try: f = open('./config/gene_server_db_library.json','r') g_gene_library = json.loads(f.read()) f.close() reload_error = False except: reload_error = True if reload_error == True: try: f = open('./config/gene_server_db_library.json.bak','r') g_gene_library = json.loads(f.read()) f.close() reload_error = False except: reload_error = True if reload_error == True: return "NOK" #extract the signed code library if one's available if g_gene_library.has_key('signed_package_library'): g_signed_package_library = g_gene_library.pop('signed_package_library') #upgrade old db format to include new records for key in g_gene_library.keys(): if g_gene_library[key].has_key('trade_enabled') == False: g_gene_library[key].update({'trade_enabled':0}) if g_gene_library[key].has_key('trade_priority') == False: g_gene_library[key].update({'trade_priority':0}) return "OK" def get_gene_server_metrics(): return json.dumps(call_metrics.get_metrics()) #set the service url class RequestHandler(SimpleXMLRPCRequestHandler): rpc_paths = ('/gene','/RPC2') # Threaded mix-in class AsyncXMLRPCServer(SocketServer.ThreadingMixIn,SimpleXMLRPCServer): def __init__(self, *args, **kwargs): SimpleXMLRPCServer.__init__(self, *args, **kwargs) self.lock = Lock() def process_request_thread(self, request, client_address): # Blatant copy of SocketServer.ThreadingMixIn, but we need a single threaded handling of the request self.lock.acquire() try: self.finish_request(request, client_address) self.shutdown_request(request) except: self.handle_error(request, client_address) self.shutdown_request(request) finally: self.lock.release() #create the server server = AsyncXMLRPCServer((__server__, __port__),requestHandler = RequestHandler,logRequests = False, allow_none = True) #register the functions #client services server.register_function(put_signed_package,'put_signed_package') server.register_function(get_signed_package,'get_signed_package') server.register_function(check_signed_package,'check_signed_package') server.register_function(trade_enable,'trade_enable') server.register_function(trade_priority,'trade_priority') server.register_function(get_target,'get_target') server.register_function(put_target,'put_target') server.register_function(get_active_quartile,'get_active_quartile') server.register_function(put_active_quartile,'put_active_quartile') server.register_function(get_gene,'get') server.register_function(get_all_genes,'get_all') server.register_function(put_gene,'put') server.register_function(put_bob,'put_bob') server.register_function(get_bobs,'get_bobs') server.register_function(get_gene_def_hash_list,'get_gene_def_hash_list') server.register_function(get_default_gene_def_hash,'get_default_gene_def_hash') server.register_function(get_gene_def,'get_gene_def') server.register_function(get_pid_gene_def_hash,'get_pid_gene_def_hash') server.register_function(set_default_gene_def_hash,'set_default_gene_def_hash') #process & monitoring services server.register_function(pid_register_gene_def,'pid_register_gene_def') server.register_function(pid_register_client,'pid_register_client') server.register_function(pid_alive,'pid_alive') server.register_function(pid_check,'pid_check') server.register_function(pid_remove,'pid_remove') server.register_function(pid_remove,'pid_exit') server.register_function(pid_msg,'pid_msg') server.register_function(get_pids,'get_pids') server.register_function(pid_list,'pid_list') #debug services server.register_function(echo,'echo') #system services server.register_function(shutdown,'shutdown') server.register_function(reload_db,'reload') server.register_function(save_db,'save') server.register_function(get_db,'get_db') server.register_function(get_db_stripped,'get_db_stripped') server.register_function(get_gene_server_metrics,'get_gene_server_metrics') server.register_multicall_functions() server.register_function(put_gene,'mc_put') server.register_introspection_functions() if __name__ == "__main__": print "gene_server: running on port %s"%__port__ while not quit: server.handle_request()
stahn/ga-bitbot
gene_server.py
Python
gpl-3.0
23,193
[ "Brian" ]
73121898ae09e867f0d6f554de90486ea6a56456d0ea150f76380291ce73942b
# $Id$ # # Copyright (C) 2003-2006 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. # import copy urlBase="http://eutils.ncbi.nlm.nih.gov/entrez/eutils" searchBase=urlBase+"/esearch.fcgi" summaryBase=urlBase+"/esummary.fcgi" fetchBase=urlBase+"/efetch.fcgi" linkBase=urlBase+"/elink.fcgi" # for links to pubmed web pages: queryBase="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi" _details = { 'db':'pubmed', 'retmode':'xml', 'tool':'RDPMTools', 'email':'Info@RationalDiscovery.com', } def details(): return copy.copy(_details) # FIX: Allow PMID searches searchableFields={ "Author":("AU","Authors' Name "), "Keyword":("MH","MeSH keyword"), "Substance":("NM","Substance Name"), "Title":("TI","Text from the article title"), "Title/Abstract":("TIAB","Text from the article title and/or abstract"), "Registry Number":("RN","CAS Registry Number"), "Subject":("SB","Pubmed Subject Subset (tox,aids,cancer,bioethics,cam,history,space,systematic)"), "Journal":("TA","Journal Name"), "Year":("DP","Publication Date"), "Affiliation":("AD","Authors' affiliation"), } searchableFieldsOrder=[ "Author", "Keyword", "Title", "Title/Abstract", "Substance", "Registry Number", "Subject", "Journal", "Year", "Affiliation", ]
rdkit/rdkit-orig
rdkit/Dbase/Pubmed/QueryParams.py
Python
bsd-3-clause
1,462
[ "RDKit" ]
2934936b45b422247a7a2685c352b9e72f043d0bb35bf6b4643edee42eb8601a
#!/usr/bin/env python import os import numpy as np import matplotlib.pyplot as plt compare = True # flag to plot the comparison plot between Lammps dump file and values computed by sim using the Lammps traj doPairWrite = True # flag to plot comparison between sim and Lammps pair_write doParseLog = True # flag to plot data parsed from input LD file supplied by user. Used to verify if the parsing is correct plot_force = True # flag to plot the force (derivative of the LD potential) def plot1(): """ Plot the soft sphere and LD energies computed in sim, using the Lammps trajectory. Also compares the total energies computed by sim from the Lammps traj and the Lammps dump file """ if compare and os.path.isfile('compare.txt'): data = np.loadtxt('compare.txt', skiprows = 1) data = data[np.argsort(data[:,0])] r = data[:,0] e_ss = data[:,2] e_ld = data[:,3] e_tot = data[:,4] e_lmp = data[:,5] plt.figure(figsize = (10,10)) sp = plt.subplot(221) sp.set_xlabel('r (LJ units)', fontsize = 20) sp.set_ylabel('Energy (kT)', fontsize = 20) sp.plot(r, e_ss, linewidth = 3) sp.set_title('Ene_SS with sim using Lammps traj') sp = plt.subplot(222) sp.set_xlabel('r (LJ units)', fontsize = 20) sp.set_ylabel('Energy (kT)', fontsize = 20) sp.plot(r,e_ld, linewidth = 3) sp.set_title('Ene_LD with sim using Lammps traj') sp = plt.subplot(223) sp.set_xlabel('r (LJ units)', fontsize = 20) sp.set_ylabel('Energy (kT)', fontsize = 20) sp.plot(r,e_tot, linewidth = 1, linestyle = 'solid', color = 'red', label = 'Total PE sim') sp.plot(r,e_lmp, linewidth = 1, marker = 'o', markersize = 4, markerfacecolor= 'None', linestyle = 'None', color = 'blue', label = 'Total PE Lammps') sp.legend(loc = 4) #plt.tight_layout def plot2(): """ Compare the LD potential and the force as drawn with sim and with pair_write function of Lammps """ if doPairWrite and os.path.isfile('LD_potential_sim.txt') and os.path.isfile('LD_potential_lammps.txt'): data1 = np.loadtxt('LD_potential_sim.txt'); data2 = np.loadtxt('LD_potential_lammps.txt', skiprows = 5) plt.figure(figsize = (10,10)) sp = plt.subplot(211) sp.set_xlabel('r(LJ units)', fontsize = 20); sp.set_ylabel(r'$U_{LD} (r) \mathrm{kT}$', fontsize = 20) sp.plot(data1[:,0], data1[:,1], linestyle = 'solid', linewidth = 3, color = 'green', label = 'Energy - Sim') if plot_force: sp.plot(data1[:,0], data1[:,2], linestyle = 'solid', linewidth = 3, color = 'red', label = 'Force - Sim') sp.legend(loc = 4, prop = {'size' : 12}) sp = plt.subplot(212) sp.set_xlabel('r(LJ units)', fontsize = 20); sp.set_ylabel(r'$U_{LD} (r) \mathrm{kT}$', fontsize = 20) sp.plot(data2[:,1], data2[:,2], linewidth = 3, color = 'green', label = 'Energy - Lammps (pair_write)') if plot_force: sp.plot(data2[:,1], data2[:,3], linewidth = 3, color = 'red', label = 'Force-Lammps(pair_write)') sp.legend(loc = 4, prop = {'size': 12}) #plt.tight_layout def plot3(): """ -----------------Test of the Lammps interpolation routine------------------------ """ if doParseLog and os.path.isfile('parselog.txt'): lines = open('parselog.txt', 'r').readlines() ### EXTRACTING SPLINE COEFFICIENTS CALCULATED INSIDE THE LAMMPS ROUTINE - interpolate() start = [lines.index(line) for line in lines if line.startswith('>>> LD POTENTIAL 1')][0] + 1 stop = start + 500 rho = np.zeros([500], np.float64) frho = np.zeros([500], np.float64) for i, line in enumerate(lines[start:stop]): rho[i] = float(line.split()[0]) frho[i] = float(line.split()[1]) start = [lines.index(line) for line in lines if line.startswith('FRHO SPLINE COEFFICIENTS')][0] + 2 stop = start + 500 frho_spline = np.zeros([500,7], np.float64) for i, line in enumerate(lines[start:stop]): for j in range(7): frho_spline[i][j] = float(line.split()[j]) ### REPLICATING THE LAMMPS ROUTINE interpolate() nrho = 500 delta = rho[1]-rho[0] rho_min = 0.01 rho_max = 2.0 spline = np.zeros([nrho, 7], np.float64) for m in range(nrho): spline[m,6] = frho[m] spline[0, 5] = spline[1, 6] - spline[0, 6] spline[1, 5] = 0.5 * (spline[2,6]-spline[0,6]) spline[nrho-2,5] = 0.5 * (spline[nrho-1, 6]-spline[nrho-3,6]) spline[nrho-1,5] = spline[nrho-1,6] - spline[nrho-2,6] for m in range(2,nrho-3): spline[m,5] = ((spline[m-2,6]-spline[m+2,6]) + 8.0*(spline[m+1,6]-spline[m-1,6])) / 12.0 for m in range(nrho-2): spline[m,4] = 3.0*(spline[m+1,6]-spline[m,6]) -2.0*spline[m,5] - spline[m+1,5]; spline[m,3] = spline[m,5] + spline[m+1,5] -2.0*(spline[m+1,6]-spline[m,6]); spline[nrho-1,4] = 0.0 spline[nrho-1,3] = 0.0 for m in range(nrho): spline[m,2] = spline[m,5]/delta; spline[m,1] = 2.0*spline[m,4]/delta; spline[m,0] = 3.0*spline[m,3]/delta; ### LD POTENTIAL CALCULATION USING A LAMMPS-LIKE CUBIC SPLINE INTERPOLATION uLD1 = np.zeros([nrho], np.float64); uLD2 = np.zeros([nrho], np.float64) dFdrho1 = np.zeros([nrho], np.float64); dFdrho2 = np.zeros([nrho], np.float64) p = 0.; m = 0; for i in range(nrho): p = (rho[i] - rho_min)/delta + 1 m = max(1,min(m,nrho-1)) p -= m p = min(p, 1.0) coeff1 = frho_spline[i] coeff2 = spline[i] uLD1[i] = ((coeff1[3]*p + coeff1[4])*p + coeff1[5])*p + coeff1[6] uLD2[i] = ((coeff2[3]*p + coeff2[4])*p + coeff2[5])*p + coeff2[6] dFdrho1[i] = (coeff1[0]*p + coeff1[1])*p + coeff1[2]; dFdrho2[i] = (coeff2[0]*p + coeff2[1])*p + coeff2[2]; #### REPLICATING THE LAMMPS PAIR WRITE FUNCTION r = np.linspace(2.2, 4.0, 400) LD = np.zeros([400], np.float64) ene_LD = np.zeros([400], np.float64) force_LD = np.zeros([400], np.float64) def get_phi(r, rsq, R1, R2, option): lowercutsq = R1*R1 uppercutsq = R2*R2 uppercutfourth = uppercutsq*uppercutsq uppercutsixth = uppercutfourth*uppercutsq cut_ratio = lowercutsq/uppercutsq denom = (1-cut_ratio)**3 c0 = (1 - 3*cut_ratio) / denom c2 = (1/uppercutsq) * (6*cut_ratio) / denom c4 = -(1/uppercutfourth) * (3 + 3*cut_ratio) / denom c6 = (1/uppercutsixth) * 2.00 / denom if (this_r < R1): phi = 1.0 dphidr = 0. if (this_r > R2): phi = 0.0 dphidr = 0 if (this_r >= R1 and this_r <= R2): phi = c0 + rsq * (c2 + rsq * (c4 + c6*rsq)); dphidr = (1./this_r) * (rsq * (2*c2 + rsq * (4*c4 + 6*c6*rsq))); if not option: return phi else: return dphidr R2 = 3.0; R1 = 0.8 * R2 phi = 0.; dphidr = 0. dFdrho = 0.0 for i, this_r in enumerate(r): rsq = this_r*this_r phi = get_phi(this_r, rsq, R1, R2, 0) dphidr = get_phi(this_r, rsq, R1, R2, 1) LD[i] += phi if (LD[i] <= rho_min): p = 0.0; m = 1 coeff = frho_spline[i] dFdrho = coeff[2] ene_LD[i] = coeff[6] + dFdrho*(LD[i] - rho_min) elif (LD[i] >= rho_max): p = 1.0; m = nrho - 1 coeff = frho_spline[i]; dFdrho = coeff[0] + coeff[1] + coeff[2] ene_LD[i] = (coeff[3] + coeff[4] + coeff[5] + coeff[6]) + dFdrho*(LD[i] - rho_max) ; else: p = (LD[i] - rho_min) / delta + 1.0 m = int(p) m = max(1,min(m, nrho-1)) p -= m; p = min(p, 1.0); coeff = frho_spline[i]; dFdrho = (coeff[0]*p + coeff[1])*p + coeff[2] ene_LD[i] = ((coeff[3]*p + coeff[4])*p + coeff[5])*p + coeff[6] force_LD[i] = -dFdrho * dphidr / this_r; plt.figure(figsize = (10,10)) sp = plt.subplot(221) sp.set_title('Verify Spline Interpolation') sp.plot(rho, frho, linestyle = 'solid', linewidth = 3, color = 'red', label = 'F(rho_LD) supplied') sp.plot(rho, uLD1, linestyle = 'solid', linewidth = 3, color = 'blue', label = 'F(rho_LD) from Lammps') sp.plot(rho, uLD2, linestyle = 'solid', linewidth = 3, color = 'green', label = 'F(rho_LD) from this code') sp.set_xlabel('rho_LD'); sp.set_ylabel('F(rho_LD)') sp.legend() sp = plt.subplot(222) sp.set_title('Verify dF/drho') sp.plot(rho, dFdrho1, linestyle = 'solid', linewidth = 3, color = 'blue', label = 'dF/drho from Lammps') sp.plot(rho, dFdrho2, linestyle = 'solid', linewidth = 3, color = 'green', label = 'dF/drho from this code') sp.set_xlabel('rho_LD'); sp.set_ylabel('dF/drho') sp.legend() sp = plt.subplot(223) sp.set_title('Verify energy and force') sp.plot(r, ene_LD, linestyle = 'solid', linewidth = 3, color = 'green', label = 'ene_LD from this code') if plot_force: sp.plot(r, force_LD, linestyle = 'solid', linewidth = 3, color = 'red', label = 'force_LD from this code') sp.set_xlabel('r (LJ unit)'); sp.set_ylabel('ene_LD (lJ unit)') sp.legend() sp = plt.subplot(224) sp.set_title('Verify Local Density') sp.plot(r, LD, linestyle = 'solid', linewidth = 3, color = 'green', label = 'Local Density from this code') sp.set_xlabel('r (LJ unit)'); sp.set_ylabel('Local-Density') sp.legend() #plt.tight_layout ## MAIN ## plot1() plot2() plot3() plt.show()
tanmoy7989/Lammps_Local_Density
plot_potentials.py
Python
gpl-2.0
9,007
[ "LAMMPS" ]
6e87699a20aada13a91b43a0fce58fde298ffde629b1ac4aceb1ceb45f6abc43
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. #!/usr/bin/env python from __future__ import division, unicode_literals """ #TODO: Write module doc. """ __author__ = 'Shyue Ping Ong' __copyright__ = 'Copyright 2013, The Materials Virtual Lab' __version__ = '0.1' __maintainer__ = 'Shyue Ping Ong' __email__ = 'ongsp@ucsd.edu' __date__ = '8/1/15' import warnings warnings.warn("pymatgen.io.zeoio has been moved pymatgen.io.zeo. " "This stub will be removed in pymatgen 4.0.") from .zeo import *
migueldiascosta/pymatgen
pymatgen/io/zeoio.py
Python
mit
574
[ "pymatgen" ]
692f938cf720ee8854a87ea1e5fe76a9c1f8596991ee003d052baad775e4a98b
#!/usr/bin/python2 from distutils.core import setup import os import sys # config file data_files = [("/etc/lorax", ["etc/lorax.conf"]), ("/etc/lorax", ["etc/composer.conf"]), ("/usr/lib/systemd/system", ["systemd/lorax-composer.service", "systemd/lorax-composer.socket"]), ("/usr/lib/tmpfiles.d/", ["systemd/lorax-composer.conf", "systemd/lorax.conf"])] # shared files for root, dnames, fnames in os.walk("share"): for fname in fnames: data_files.append((root.replace("share", "/usr/share/lorax", 1), [os.path.join(root, fname)])) # executable data_files.append(("/usr/sbin", ["src/sbin/lorax", "src/sbin/mkefiboot", "src/sbin/livemedia-creator", "src/sbin/lorax-composer", "src/sbin/mkksiso"])) data_files.append(("/usr/bin", ["src/bin/image-minimizer", "src/bin/mk-s390-cdboot", "src/bin/composer-cli"])) # get the version sys.path.insert(0, "src") try: import pylorax.version except ImportError: vernum = "devel" else: vernum = pylorax.version.num finally: sys.path = sys.path[1:] setup(name="lorax", version=vernum, description="Lorax", long_description="Tools for creating bootable images, including the Anaconda boot.iso", author="Martin Gracik, Will Woods <wwoods@redhat.com>, Brian C. Lane <bcl@redhat.com>", author_email="bcl@redhat.com", url="http://www.github.com/weldr/lorax/", download_url="http://www.github.com/weldr/lorax/releases/", license="GPLv2+", packages=["pylorax", "pylorax.api", "composer", "composer.cli", "lifted"], package_dir={"" : "src"}, data_files=data_files )
wgwoods/lorax
setup.py
Python
gpl-2.0
1,887
[ "Brian" ]
e958979124d5041506b9bafe23e4af5713f4beccbbd2ed4e5a419455b8158672
# -*- 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 typing import List from kivy.logger import Logger # noinspection PyUnresolvedReferences from jnius import detach from ORCA.utils.Platform.android.android_helper import GetAndroidModule __all__ = ['GetMACAddress'] def GetMACAddress() -> List[str]: """ Retrieves the MAC Address on an Android device :return: A List of MAC Addresses (strings): First with colon as separator, second with colon as separator """ uRetColon:str = u'00:00:00:00:00:00' uRetDash:str = u'00-00-00-00-00-00' try: cContext = GetAndroidModule("Context","android.content") cPythonActivity = GetAndroidModule("PythonActivity") oPythonActivity = cPythonActivity.mActivity oWifiManager = oPythonActivity.getSystemService(cContext.WIFI_SERVICE) uRetColon = oWifiManager.getConnectionInfo().getMacAddress() uRetDash = uRetColon.replace(":","-") except Exception as e: Logger.error("Error on GetMACAddress:"+str(e)) return [uRetColon,uRetDash]
thica/ORCA-Remote
src/ORCA/utils/Platform/android/android_GetMACAddress.py
Python
gpl-3.0
1,979
[ "ORCA" ]
4d7d61309a01d64aaa17be6ffdc1e5fb477f1c2a9b7906031884764655753ec5
"""Helper classes for doing jellium calculations.""" from math import pi import numpy as np from ase import Atoms from ase.units import Bohr from gpaw.poisson import PoissonSolver class JelliumPoissonSolver(PoissonSolver): """Jellium Poisson solver.""" mask_g = None # where to put the jellium rs = None # Wigner Seitz radius def get_mask(self, r_gv): """Choose which grid points are inside the jellium. r_gv: 4-dimensional ndarray positions of the grid points in Bohr units. Return ndarray of ones and zeros indicating where the jellium is. This implementation will put the positive background in the whole cell. Overwrite this method in subclasses.""" return self.gd.zeros() + 1.0 def initialize(self): PoissonSolver.initialize(self) r_gv = self.gd.get_grid_point_coordinates().transpose((1, 2, 3, 0)) self.mask_g = self.get_mask(r_gv).astype(float) self.volume = self.gd.comm.sum(self.mask_g.sum()) * self.gd.dv def solve(self, phi, rho, eps=None, charge=0, maxcharge=1e-6, zero_initial_phi=False): if eps is None: eps = self.eps self.rs = (3 / pi / 4 * self.volume / charge)**(1 / 3.0) rho -= self.mask_g * (charge / self.volume) niter = self.solve_neutral(phi, rho, eps=eps) return niter class JelliumSurfacePoissonSolver(JelliumPoissonSolver): def __init__(self, z1, z2, **kwargs): """Put the positive background charge where z1 < z < z2. z1: float Position of lower surface in Angstrom units. z2: float Position of upper surface in Angstrom units.""" PoissonSolver.__init__(self, **kwargs) self.z1 = (z1 - 0.0001) / Bohr self.z2 = (z2 - 0.0001) / Bohr def get_mask(self, r_gv): return np.logical_and(r_gv[:, :, :, 2] > self.z1, r_gv[:, :, :, 2] < self.z2)
robwarm/gpaw-symm
gpaw/jellium.py
Python
gpl-3.0
2,044
[ "ASE", "GPAW" ]
c2f754eae5fdd8936bf361baadc7767671160679523c2b956dd14f74e151659a
""" simple hello world job """ from __future__ import print_function from __future__ import absolute_import from __future__ import division from DIRAC.Interfaces.API.Job import Job from DIRAC.Interfaces.API.Dirac import Dirac from DIRAC.DataManagementSystem.Utilities.DMSHelpers import DMSHelpers j = Job() j.setName("helloWorld-test") j.setExecutable("exe-script.py", "", "Executable.log") # <-- user settings j.setCPUTime(172800) tier1s = DMSHelpers().getTiers(tier=(0, 1)) j.setBannedSites(tier1s) # user settings --> # print j.workflow # submit the job to dirac result = Dirac().submitJob(j) print(result)
yujikato/DIRAC
src/DIRAC/tests/Workflow/Regression/helloWorld.py
Python
gpl-3.0
618
[ "DIRAC" ]
54ad18ad1772d677a8ddb63d8613a2c90e5740745bf173344d14b0ebab2dadad
######################################################################## # $HeadURL$ ######################################################################## """ DIRAC JobDB class is a front-end to the main WMS database containing job definitions and status information. It is used in most of the WMS components The following methods are provided for public usage: getJobID() getJobAttribute() getJobAttributes() getAllJobAttributes() getDistinctJobAttributes() getAttributesForJobList() getJobParameter() getJobParameters() getAllJobParameters() getInputData() getSubjobs() getJobJDL() selectJobs() selectJobsWithStatus() setJobAttribute() setJobAttributes() setJobParameter() setJobParameters() setJobJDL() setJobStatus() setInputData() insertNewJobIntoDB() removeJobFromDB() rescheduleJob() rescheduleJobs() getMask() setMask() allowSiteInMask() banSiteInMask() getCounters() """ __RCSID__ = "$Id$" import sys, types import operator from DIRAC import S_OK, S_ERROR, Time from DIRAC.ConfigurationSystem.Client.Config import gConfig from DIRAC.ConfigurationSystem.Client.Helpers import Registry from DIRAC.Core.Base.DB import DB from DIRAC.ConfigurationSystem.Client.Helpers.Resources import getSites from DIRAC.ResourceStatusSystem.Client.SiteStatus import SiteStatus from DIRAC.WorkloadManagementSystem.Client.JobState.JobManifest import JobManifest from DIRAC.Core.Utilities import Time DEBUG = False JOB_STATES = ['Received', 'Checking', 'Staging', 'Waiting', 'Matched', 'Running', 'Stalled', 'Done', 'Completed', 'Failed'] JOB_FINAL_STATES = ['Done', 'Completed', 'Failed'] JOB_DEPRECATED_ATTRIBUTES = [ 'UserPriority', 'SystemPriority' ] JOB_STATIC_ATTRIBUTES = [ 'JobID', 'JobType', 'DIRACSetup', 'JobGroup', 'HerdState', 'MasterJobID', 'JobName', 'Owner', 'OwnerDN', 'OwnerGroup', 'SubmissionTime', 'VerifiedFlag' ] JOB_VARIABLE_ATTRIBUTES = [ 'Site', 'RescheduleTime', 'StartExecTime', 'EndExecTime', 'RescheduleCounter', 'DeletedFlag', 'KilledFlag', 'FailedFlag', 'ISandboxReadyFlag', 'OSandboxReadyFlag', 'RetrievedFlag', 'AccountedFlag' ] JOB_DYNAMIC_ATTRIBUTES = [ 'LastUpdateTime', 'HeartBeatTime', 'Status', 'MinorStatus', 'ApplicationStatus', 'ApplicationNumStatus', 'CPUTime' ] ############################################################################# class JobDB( DB ): _tablesDict = {} # Jobs table _tablesDict[ 'Jobs' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL AUTO_INCREMENT', 'JobType' : 'VARCHAR(32) NOT NULL DEFAULT "normal"', 'DIRACSetup' : 'VARCHAR(32) NOT NULL', 'JobGroup' : 'VARCHAR(32) NOT NULL DEFAULT "NoGroup"', 'JobSplitType' : 'ENUM ("Single","Master","Subjob","DAGNode") NOT NULL DEFAULT "Single"', 'MasterJobID' : 'INTEGER NOT NULL DEFAULT 0', 'Site' : 'VARCHAR(100) NOT NULL DEFAULT "ANY"', 'JobName' : 'VARCHAR(128) NOT NULL DEFAULT "Unknown"', 'Owner' : 'VARCHAR(32) NOT NULL DEFAULT "Unknown"', 'OwnerDN' : 'VARCHAR(255) NOT NULL DEFAULT "Unknown"', 'OwnerGroup' : 'VARCHAR(128) NOT NULL DEFAULT "lhcb_user"', 'SubmissionTime' : 'DATETIME', 'RescheduleTime' : 'DATETIME', 'LastUpdateTime' : 'DATETIME', 'StartExecTime' : 'DATETIME', 'HeartBeatTime' : 'DATETIME', 'EndExecTime' : 'DATETIME', 'Status' : 'VARCHAR(32) NOT NULL DEFAULT "Received"', 'MinorStatus' : 'VARCHAR(128) NOT NULL DEFAULT "Initial insertion"', 'ApplicationStatus' : 'VARCHAR(256) NOT NULL DEFAULT "Unknown"', 'ApplicationNumStatus' : 'INTEGER NOT NULL DEFAULT 0', 'CPUTime' : 'FLOAT NOT NULL DEFAULT 0.0', 'UserPriority' : 'INTEGER NOT NULL DEFAULT 0', 'SystemPriority' : 'INTEGER NOT NULL DEFAULT 0', 'RescheduleCounter' : 'INTEGER NOT NULL DEFAULT 0', 'VerifiedFlag' : 'ENUM ("True","False") NOT NULL DEFAULT "False"', 'DeletedFlag' : 'ENUM ("True","False") NOT NULL DEFAULT "False"', 'KilledFlag' : 'ENUM ("True","False") NOT NULL DEFAULT "False"', 'FailedFlag' : 'ENUM ("True","False") NOT NULL DEFAULT "False"', 'ISandboxReadyFlag' : 'ENUM ("True","False") NOT NULL DEFAULT "False"', 'OSandboxReadyFlag' : 'ENUM ("True","False") NOT NULL DEFAULT "False"', 'RetrievedFlag' : 'ENUM ("True","False") NOT NULL DEFAULT "False"', 'AccountedFlag' : 'ENUM ("True","False","Failed") NOT NULL DEFAULT "False"' }, 'Indexes' : { 'JobType' : [ 'JobType' ], 'DIRACSetup' : [ 'DIRACSetup' ], 'JobGroup' : [ 'JobGroup' ], 'JobSplitType' : [ 'JobSplitType' ], 'Site' : [ 'Site' ], 'Owner' : [ 'Owner' ], 'OwnerDN' : [ 'OwnerDN' ], 'OwnerGroup' : [ 'OwnerGroup' ], 'Status' : [ 'Status' ], 'StatusSite' : [ 'Status', 'Site' ], 'MinorStatus' : [ 'MinorStatus' ], 'ApplicationStatus' : [ 'ApplicationStatus' ] }, 'PrimaryKey' : [ 'JobID' ] } # JobJDLs table _tablesDict[ 'JobJDLs' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL AUTO_INCREMENT', 'JDL' : 'BLOB NOT NULL', 'JobRequirements' : 'BLOB NOT NULL', 'OriginalJDL' : 'BLOB NOT NULL', }, 'PrimaryKey' : [ 'JobID' ] } # SubJobs table _tablesDict[ 'SubJobs' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'SubJobID' : 'INTEGER NOT NULL', } } # PrecursorJobs table _tablesDict[ 'PrecursorJobs' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'PreJobID' : 'INTEGER NOT NULL', } } # InputData table _tablesDict[ 'InputData' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'Status' : 'VARCHAR(32) NOT NULL DEFAULT "AprioriGood"', 'LFN' : 'VARCHAR(255)' }, 'PrimaryKey' : [ 'JobID', 'LFN' ] } # JobParameters table _tablesDict[ 'JobParameters' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'Name' : 'VARCHAR(100) NOT NULL', 'Value' : 'BLOB NOT NULL' }, 'PrimaryKey' : [ 'JobID', 'Name' ] } # OptimizerParameters table _tablesDict[ 'OptimizerParameters' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'Name' : 'VARCHAR(100) NOT NULL', 'Value' : 'MEDIUMBLOB NOT NULL' }, 'PrimaryKey' : [ 'JobID', 'Name' ] } # AtticJobParameters table _tablesDict[ 'AtticJobParameters' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'RescheduleCycle' : 'INTEGER NOT NULL', 'Name' : 'VARCHAR(100) NOT NULL', 'Value' : 'BLOB NOT NULL' }, 'PrimaryKey' : [ 'JobID', 'Name', 'RescheduleCycle' ] } # TaskQueues table _tablesDict[ 'TaskQueues' ] = { 'Fields' : { 'TaskQueueID' : 'INTEGER NOT NULL AUTO_INCREMENT', 'Priority' : 'INTEGER NOT NULL DEFAULT 0', 'Requirements' : 'BLOB NOT NULL', 'NumberOfJobs' : 'INTEGER NOT NULL DEFAULT 0' }, 'PrimaryKey' : [ 'TaskQueueID' ] } # TaskQueue table _tablesDict[ 'TaskQueue' ] = { 'Fields' : { 'TaskQueueID' : 'INTEGER NOT NULL', 'JobID' : 'INTEGER NOT NULL', 'Rank' : 'INTEGER NOT NULL DEFAULT 0' }, 'PrimaryKey' : [ 'JobID', 'TaskQueueID' ] } # SiteMask table _tablesDict[ 'SiteMask' ] = { 'Fields' : { 'Site' : 'VARCHAR(64) NOT NULL', 'Status' : 'VARCHAR(64) NOT NULL', 'LastUpdateTime' : 'DATETIME NOT NULL', 'Author' : 'VARCHAR(255) NOT NULL', 'Comment' : 'BLOB NOT NULL' }, 'PrimaryKey' : [ 'Site' ] } # SiteMaskLogging table _tablesDict[ 'SiteMaskLogging' ] = { 'Fields' : { 'Site' : 'VARCHAR(64) NOT NULL', 'Status' : 'VARCHAR(64) NOT NULL', 'UpdateTime' : 'DATETIME NOT NULL', 'Author' : 'VARCHAR(255) NOT NULL', 'Comment' : 'BLOB NOT NULL' } } # HeartBeatLoggingInfo table _tablesDict[ 'HeartBeatLoggingInfo' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'Name' : 'VARCHAR(100) NOT NULL', 'Value' : 'BLOB NOT NULL', 'HeartBeatTime' : 'DATETIME NOT NULL' }, 'Indexes' : { 'JobID' : [ 'JobID' ] } } # JobCommands table _tablesDict[ 'JobCommands' ] = { 'Fields' : { 'JobID' : 'INTEGER NOT NULL', 'Command' : 'VARCHAR(100) NOT NULL', 'Arguments' : 'VARCHAR(100) NOT NULL', 'Status' : 'VARCHAR(64) NOT NULL DEFAULT "Received"', 'ReceptionTime' : 'DATETIME NOT NULL', 'ExecutionTime' : 'DATETIME', }, 'Indexes' : { 'JobID' : [ 'JobID' ] } } def __init__( self, maxQueueSize = 10 ): """ Standard Constructor """ DB.__init__( self, 'JobDB', 'WorkloadManagement/JobDB', maxQueueSize, debug = DEBUG ) self.maxRescheduling = gConfig.getValue( self.cs_path + '/MaxRescheduling', 3 ) self.jobAttributeNames = [] self.nJobAttributeNames = 0 result = self.__getAttributeNames() if not result['OK']: error = 'Can not retrieve job Attributes' self.log.fatal( 'JobDB: %s' % error ) sys.exit( error ) return self.log.info( "MaxReschedule: %s" % self.maxRescheduling ) self.log.info( "==================================================" ) if DEBUG: result = self.dumpParameters() self.__updateDBSchema() def _checkTable( self ): """ _checkTable. Method called on the MatcherHandler instead of on the JobDB constructor to avoid an awful number of unnecessary queries with "show tables". """ return self.__createTables() def __createTables( self ): """ __createTables Writes the schema in the database. If a table is already in the schema, it is skipped to avoid problems trying to create a table that already exists. """ # Horrible SQL here !! existingTables = self._query( "show tables" ) if not existingTables[ 'OK' ]: return existingTables existingTables = [ existingTable[0] for existingTable in existingTables[ 'Value' ] ] # Makes a copy of the dictionary _tablesDict tables = {} tables.update( self._tablesDict ) for existingTable in existingTables: if existingTable in tables: del tables[ existingTable ] res = self._createTables( tables ) if not res[ 'OK' ]: return res # Human readable S_OK message if res[ 'Value' ] == 0: res[ 'Value' ] = 'No tables created' else: res[ 'Value' ] = 'Tables created: %s' % ( ','.join( tables.keys() ) ) return res def __updateDBSchema( self ): result = self.__checkDBVersion() if not result[ 'OK' ]: self.log.error( "Can't retrieve schema version: %s" % result[ 'Message' ] ) return result version = result[ 'Value' ] while True: self.log.info( "Current DB schema version %d" % version ) version += 1 try: migration = getattr( self, '_JobDB__schemaMigration_%d' % version ) self.log.info( "Found schema migration" ) except AttributeError: return S_OK( version ) with self.transaction as commit: result = migration() if not result[ 'OK' ]: self.log.error( "Can't apply migration from schema version %d: %s" % ( version, result[ 'Message' ] ) ) return result result = self._update( "INSERT INTO SchemaVersion VALUES ( %d )" % version ) if not result[ 'OK' ]: self.log.error( "Error saving schema version %d: %s" % ( version, result[ 'Message' ] ) ) return result commit() return S_OK( version ) def __schemaMigration_0( self ): self.log.info( "Updating MasterJobIDs..." ) #Set MasterJobID to the JobID if not set result = self._update( "UPDATE `Jobs` SET MasterJobID = JobID WHERE MasterJobID = 0" ) if not result[ 'OK' ]: return result #Alter JobSplitType to HerdState result = self._query( "DESCRIBE Jobs" ) if not result[ 'OK' ]: return result cols = result[ 'Value' ] found = False for col in cols: if col[0] == 'JobSplitType': result = self._update( "ALTER TABLE Jobs CHANGE JobSplitType HerdState ENUM ('Single','WillSplit','Splitted') NOT NULL DEFAULT 'Single'" ) if not result[ 'OK' ]: return result #Get current tables result = self._query( "SHOW TABLES" ) if not result[ 'OK' ]: return result tablesInDB = [ t[0] for t in result[ 'Value' ] ] #Create required tables tables = { 'SchemaVersion' : { 'Fields' : { 'Version' : 'INTEGER UNSIGNED' } } } tables[ 'LFN' ] = { 'Fields' : { 'LFNID' : 'INTEGER NOT NULL AUTO_INCREMENT', 'JobID' : 'INTEGER UNSIGNED NOT NULL', 'LFN' : 'VARCHAR(512) NOT NULL' , 'Checksum' : 'VARCHAR(64) DEFAULT ""', 'CreationDate' : 'DATETIME', 'ModificationDate' : 'DATETIME', 'Size' : 'INTEGER UNSIGNED DEFAULT 0' }, 'PrimaryKey' : 'LFNID', 'UniqueIndexes' : { 'joblfn' : [ 'JobID', 'LFN' ] } } tables[ 'Replicas' ] = { 'Fields' : { 'LFNID' : 'INTEGER NOT NULL', 'SEName' : 'VARCHAR(64) NOT NULL', 'SURL' : 'VARCHAR(256) NOT NULL', 'Disk' : 'TINYINT(1) NOT NULL' }, 'PrimaryKey' : [ 'LFNID', 'SEName', 'SURL' ], 'Indexes' : { 'LFNID' : [ 'LFNID' ] }, 'ForeignKeys' : { 'LFNID' : 'LFN' } } tables[ 'MasterJDLs' ] = { 'Fields' : { 'JobID' : 'int(11) NOT NULL', 'JDL' : 'BLOB NOT NULL' }, 'PrimaryKey' : [ 'JobID' ] } for t in tablesInDB: try: tables.pop( t ) except KeyError: pass result = self._createTables( tables ) if not result[ 'OK' ]: return result #Create foreign keys #Drop old tables dropTables = [] for t in [ 'SubJobs', 'PrecursorJobs', 'TaskQueues', 'TaskQueue', 'InputData' ]: if t in tablesInDB: dropTables.append( t ) if dropTables: self.log.info( "Info dropping tables %s" % ", ".join( dropTables ) ) result = self._update( "DROP TABLE %s" % ", ".join( dropTables ) ) if not result[ 'OK' ]: return result #Migrate to innodb result = self._query( "SHOW TABLE STATUS" ) if not result[ 'OK' ]: return result tableStatus = dict( [ ( r[0], r[1] ) for r in result[ 'Value' ] ] ) for tableName in tableStatus: if tableStatus[ tableName ] == "MyISAM": self.log.info( "Migrating table %s to innodb" % tableName ) result = self._update( "ALTER TABLE `%s` ENGINE = INNODB" % tableName ) if not result[ 'OK' ]: self.log.error( "Error migrating %s to innodb: %s" % ( tableName, result[ 'Message' ] ) ) return S_OK() def __checkDBVersion( self ): result = self._query( "show tables" ) if not result[ 'OK' ]: return result tables = [ r[0] for r in result[ 'Value' ] ] if 'SchemaVersion' not in tables: return S_OK( -1 ) result = self._query( "SELECT MAX(Version) FROM SchemaVersion" ) if not result[ 'OK' ]: return result version = result[ 'Value' ][0][0] if version == None: version = -1 return S_OK( version ) def dumpParameters( self ): """ Dump the JobDB connection parameters to the stdout """ print "==================================================" print "User: ", self.dbUser print "Host: ", self.dbHost print "Password ", self.dbPass print "DBName ", self.dbName print "MaxQueue ", self.maxQueueSize print "==================================================" return S_OK() def __getAttributeNames( self ): """ get Name of Job Attributes defined in DB set self.jobAttributeNames to the list of Names return S_OK() return S_ERROR upon error """ res = self._query( 'DESCRIBE Jobs' ) if not res['OK']: return res self.jobAttributeNames = [] for row in res['Value']: field = row[0] self.jobAttributeNames.append( field ) self.nJobAttributeNames = len( self.jobAttributeNames ) return S_OK() ############################################################################# def getJobID( self ): """Get the next unique JobID and prepare the new job insertion """ cmd = 'INSERT INTO Jobs (SubmissionTime) VALUES (UTC_TIMESTAMP())' err = 'JobDB.getJobID: Failed to retrieve a new Id.' res = self._update( cmd ) if not res['OK']: return S_ERROR( '1 %s\n%s' % ( err, res['Message'] ) ) if not 'lastRowId' in res['Value']: return S_ERROR( '2 %s' % err ) jobID = int( res['Value']['lastRowId'] ) self.log.info( 'JobDB: New JobID served "%s"' % jobID ) ############################################################################# def getAttributesForJobList( self, jobIDList, attrList = None ): """ Get attributes for the jobs in the the jobIDList. Returns an S_OK structure with a dictionary of dictionaries as its Value: ValueDict[jobID][attribute_name] = attribute_value """ if not jobIDList: return S_OK( {} ) if attrList: attrNames = ','.join( [ str( x ) for x in attrList ] ) attr_tmp_list = attrList else: attrNames = ','.join( [ str( x ) for x in self.jobAttributeNames ] ) attr_tmp_list = self.jobAttributeNames jobList = ','.join( [str( x ) for x in jobIDList] ) # FIXME: need to check if the attributes are in the list of job Attributes cmd = 'SELECT JobID,%s FROM Jobs WHERE JobID in ( %s )' % ( attrNames, jobList ) res = self._query( cmd ) if not res['OK']: return res try: retDict = {} for retValues in res['Value']: jobID = retValues[0] jobDict = {} jobDict[ 'JobID' ] = jobID attrValues = retValues[1:] for i in range( len( attr_tmp_list ) ): try: jobDict[attr_tmp_list[i]] = attrValues[i].tostring() except Exception: jobDict[attr_tmp_list[i]] = str( attrValues[i] ) retDict[int( jobID )] = jobDict return S_OK( retDict ) except Exception, x: return S_ERROR( 'JobDB.getAttributesForJobList: Failed\n%s' % str( x ) ) ############################################################################# def getDistinctJobAttributes( self, attribute, condDict = None, older = None, newer = None, timeStamp = 'LastUpdateTime' ): """ Get distinct values of the job attribute under specified conditions """ return self.getDistinctAttributeValues( 'Jobs', attribute, condDict = condDict, older = older, newer = newer, timeStamp = timeStamp ) ############################################################################# def getJobParameters( self, jobID, paramList = None ): """ Get Job Parameters defined for jobID. Returns a dictionary with the Job Parameters. If parameterList is empty - all the parameters are returned. """ ret = self._escapeString( jobID ) if not ret['OK']: return ret e_jobID = ret['Value'] self.log.debug( 'JobDB.getParameters: Getting Parameters for job %s' % jobID ) resultDict = {} if paramList: paramNameList = [] for x in paramList: ret = self._escapeString( x ) if not ret['OK']: return ret paramNameList.append( ret['Value'] ) paramNames = ','.join( paramNameList ) cmd = "SELECT Name, Value from JobParameters WHERE JobID=%s and Name in (%s)" % ( e_jobID, paramNames ) result = self._query( cmd ) if result['OK']: if result['Value']: for name, value in result['Value']: try: resultDict[name] = value.tostring() except Exception: resultDict[name] = value return S_OK( resultDict ) else: return S_ERROR( 'JobDB.getJobParameters: failed to retrieve parameters' ) else: result = self.getFields( 'JobParameters', ['Name', 'Value'], {'JobID': jobID} ) if not result['OK']: return result else: for name, value in result['Value']: try: resultDict[name] = value.tostring() except Exception: resultDict[name] = value return S_OK( resultDict ) ############################################################################# def getAtticJobParameters( self, jobID, paramList = None, rescheduleCounter = -1 ): """ Get Attic Job Parameters defined for a job with jobID. Returns a dictionary with the Attic Job Parameters per each rescheduling cycle. If parameterList is empty - all the parameters are returned. If recheduleCounter = -1, all cycles are returned. """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] self.log.debug( 'JobDB.getAtticJobParameters: Getting Attic Parameters for job %s' % jobID ) resultDict = {} paramCondition = '' if paramList: paramNameList = [] for x in paramList: ret = self._escapeString( x ) if not ret['OK']: return ret paramNameList.append( x ) paramNames = ','.join( paramNameList ) paramCondition = " AND Name in (%s)" % paramNames rCounter = '' if rescheduleCounter != -1: rCounter = ' AND RescheduleCycle=%d' % int( rescheduleCounter ) cmd = "SELECT Name, Value, RescheduleCycle from AtticJobParameters" cmd += " WHERE JobID=%s %s %s" % ( jobID, paramCondition, rCounter ) result = self._query( cmd ) if result['OK']: if result['Value']: for name, value, counter in result['Value']: if not resultDict.has_key( counter ): resultDict[counter] = {} try: resultDict[counter][name] = value.tostring() except Exception: resultDict[counter][name] = value return S_OK( resultDict ) else: return S_ERROR( 'JobDB.getAtticJobParameters: failed to retrieve parameters' ) ############################################################################# def getJobAttributes( self, jobID, attrList = None ): """ Get all Job Attributes for a given jobID. Return a dictionary with all Job Attributes, return an empty dictionary if matching job found """ if not attrList: attrList = self.jobAttributeNames result = self.getFields( "Jobs", outFields = attrList, condDict = { 'JobID' : jobID } ) if not result[ 'OK' ]: return result dbData = result[ 'Value' ] if not dbData: return S_OK( {} ) jobData = dbData[0] ret = {} for iP in range( len( attrList ) ): ret[ attrList[iP] ] = jobData[ iP ] return S_OK( ret ) ############################################################################# def getJobInfo( self, jobID, parameters = None ): """ Get parameters for job specified by jobID. Parameters can be either job attributes ( fields in the Jobs table ) or those stored in the JobParameters table. The return value is a dictionary of the structure: Dict[Name] = Value """ resultDict = {} # Parameters are not specified, get them all - parameters + attributes if not parameters: result = self.getJobAttributes( jobID ) if result['OK']: resultDict = result['value'] else: return S_ERROR( 'JobDB.getJobAttributes: can not retrieve job attributes' ) result = self.getJobParameters( jobID ) if result['OK']: resultDict.update( result['value'] ) else: return S_ERROR( 'JobDB.getJobParameters: can not retrieve job parameters' ) return S_OK( resultDict ) paramList = [] attrList = [] for par in parameters: if par in self.jobAttributeNames: attrList.append( par ) else: paramList.append( par ) # Get Job Attributes first if attrList: result = self.getJobAttributes( jobID, attrList ) if not result['OK']: return result if len( result['Value'] ) > 0: resultDict = result['Value'] else: return S_ERROR( 'Job ' + str( jobID ) + ' not found' ) # Get Job Parameters if paramList: result = self.getJobParameters( jobID, paramList ) if not result['OK']: return result if len( result['Value'] ) > 0: resultDict.update( result['Value'] ) return S_OK( resultDict ) ############################################################################# def getJobAttribute( self, jobID, attribute ): """ Get the given attribute of a job specified by its jobID """ result = self.getJobAttributes( jobID, [attribute] ) if result['OK']: value = result['Value'][attribute] return S_OK( value ) else: return result ############################################################################# def getJobParameter( self, jobID, parameter ): """ Get the given parameter of a job specified by its jobID """ result = self.getJobParameters( jobID, [parameter] ) if result['OK']: if result['Value']: value = result['Value'][parameter] else: value = None return S_OK( value ) else: return result ############################################################################# def getJobOptParameter( self, jobID, parameter ): """ Get optimizer parameters for the given job. """ result = self.getFields( 'OptimizerParameters', ['Value'], {'JobID': jobID, 'Name': parameter} ) if result['OK']: if result['Value']: return S_OK( result['Value'][0][0] ) else: return S_ERROR( 'Parameter not found' ) else: return S_ERROR( 'Failed to access database' ) ############################################################################# def getJobOptParameters( self, jobID, paramList = None ): """ Get optimizer parameters for the given job. If the list of parameter names is empty, get all the parameters then """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] resultDict = {} if paramList: paramNameList = [] for x in paramList: ret = self._escapeString( x ) if not ret['OK']: return ret paramNameList.append( ret['Value'] ) paramNames = ','.join( paramNameList ) cmd = "SELECT Name, Value from OptimizerParameters WHERE JobID=%s and Name in (%s)" % ( jobID, paramNames ) else: cmd = "SELECT Name, Value from OptimizerParameters WHERE JobID=%s" % jobID result = self._query( cmd ) if result['OK']: if result['Value']: for name, value in result['Value']: try: resultDict[name] = value.tostring() except Exception: resultDict[name] = value return S_OK( resultDict ) else: return S_ERROR( 'JobDB.getJobOptParameters: failed to retrieve parameters' ) ############################################################################# def getTimings( self, site, period = 3600 ): """ Get CPU and wall clock times for the jobs finished in the last hour """ ret = self._escapeString( site ) if not ret['OK']: return ret site = ret['Value'] date = str( Time.dateTime() - Time.second * period ) req = "SELECT JobID from Jobs WHERE Site=%s and EndExecTime > '%s' " % ( site, date ) result = self._query( req ) jobList = [ str( x[0] ) for x in result['Value'] ] jobString = ','.join( jobList ) req = "SELECT SUM(Value) from JobParameters WHERE Name='TotalCPUTime(s)' and JobID in (%s)" % jobString result = self._query( req ) if not result['OK']: return result cpu = result['Value'][0][0] if not cpu: cpu = 0.0 req = "SELECT SUM(Value) from JobParameters WHERE Name='WallClockTime(s)' and JobID in (%s)" % jobString result = self._query( req ) if not result['OK']: return result wctime = result['Value'][0][0] if not wctime: wctime = 0.0 return S_OK( {"CPUTime":int( cpu ), "WallClockTime":int( wctime )} ) ############################################################################# def __checkInputDataStructure( self, pDict ): if type( pDict ) != types.DictType: return S_ERROR( "Input data has to be a dictionary" ) for lfn in pDict: if 'Metadata' not in pDict[ lfn ]: return S_ERROR( "Missing metadata for lfn %s" % lfn ) if 'Replicas' not in pDict[ lfn ]: return S_ERROR( "Missing replicas for lfn %s" % lfn ) replicas = pDict[ lfn ][ 'Replicas' ] for seName in replicas: if 'SURL' not in replicas or 'Disk' not in replicas: return S_ERROR( "Missing SURL or Disk for %s:%s replica" % ( seName, lfn ) ) return S_OK() ############################################################################# def getInputData ( self, jid ): """Get input data for the given job """ try: jid = int( jid ) except ValueError: return S_ERROR( "Job id needs to be an integer" ) result = self._query( "SELECT l.LFN, l.Checksum, l.CreationDate, l.ModificationDate, l.Size, r.SURL, r.SEName, r.Disk FROM LFN l, Replicas r WHERE l.JobID = %d AND l.LFNID = r.LFNID" % jid ) if not result[ 'OK' ]: return result data = {} for lfn, checksum, creationDate, modifDate, size, surl, SEName, onDisk in result[ 'Value' ]: if lfn not in data: data[ lfn ] = { 'Metadata' : { 'Checksum' : checksum, 'CreationDate' : creationDate, 'ModificationDate' : modifDate, 'Size' : size }, 'Replicas' : {} } rD = data[ lfn ][ 'Replicas' ] rD[ SEName ] = { 'SURL' : surl, 'Disk' : onDisk } return S_OK( data ) ############################################################################# def __cleanInputData( self, jid ): cmd = "DELETE FROM Replicas WHERE LFNID IN ( SELECT LFNID FROM LFN WHERE JobID = %d )" % jid result = self._update( cmd ) if not result['OK']: return S_ERROR( "Could not clean input data for job %d: %s" % ( jid, result[ 'Message' ] ) ) cmd = "DELETE FROM LFN WHERE JobID = %d" % jid result = self._update( cmd ) if not result['OK']: return S_ERROR( "Could not clean input data for job %d: %s" % ( jid, result[ 'Message' ] ) ) return S_OK() ############################################################################# def setInputData ( self, jid, lfnData ): """Inserts input data for the given job """ try: jid = int( jid ) except ValueError: return S_ERROR( "Job id needs to be an integer" ) result = self.__checkInputDataStructure( lfnData ) if not result['OK']: return result result = self.__cleanInputData( jid ) if not result['OK']: return S_ERROR( "Could not clean input data for job %d: %s" % ( jid, result[ 'Message' ] ) ) for lfn in lfnData: vD = { 'JobID' : jid, 'LFN' : lfn } metaDict = lfnData[ lfn ][ 'Metadata' ] for k in ( 'Checksum', 'CreationDate', 'ModificationDate', 'Size' ): if k in metaDict: vD[ k ] = metaDict[ k ] result = self.insertFields( "LFN", inDict = vD ) if not result[ 'OK' ]: return S_ERROR( "Can not insert input data: %s" % result[ 'Message' ] ) lfnid = result[ 'lastRowId' ] vL = [] replicas = lfnData[ lfn ][ 'Replicas' ] for seName in replicas: result = self._escapeString( replicas[ seName ][ 'SURL' ] ) if not result[ 'OK' ]: return result surl = result[ 'Value' ] disk = int( replicas[ seName ][ 'Disk' ] ) result = self._escapeString( seName ) if not result[ 'OK' ]: return result seName = result[ 'Value' ] vL.append( "%d, %s, %s, %d" % ( lfnid, seName, surl, disk ) ) values = "),(".join( vL ) cmd = "INSERT INTO Replicas ( LFNID, SEName, SURL, Disk ) VALUES ( %s )" % values result = self._update( cmd ) if not result[ 'OK' ]: return S_ERROR( "Can not insert input data: %s" % result[ 'Message' ] ) return S_OK() ############################################################################# def setOptimizerChain( self, jobID, optimizerList ): """ Set the optimizer chain for the given job. The 'TaskQueue' optimizer should be the last one in the chain, it is added if not present in the optimizerList """ optString = ','.join( optimizerList ) result = self.setJobOptParameter( jobID, 'OptimizerChain', optString ) return result ############################################################################# def setNextOptimizer( self, jobID, currentOptimizer ): """ Set the job status to be processed by the next optimizer in the chain """ result = self.getJobOptParameter( jobID, 'OptimizerChain' ) if not result['OK']: return result optListString = result['Value'] optList = optListString.split( ',' ) try: sindex = None for i in xrange( len( optList ) ): if optList[i] == currentOptimizer: sindex = i if sindex >= 0: if sindex < len( optList ) - 1: nextOptimizer = optList[sindex + 1] else: return S_ERROR( 'Unexpected end of the Optimizer Chain' ) else: return S_ERROR( 'Could not find ' + currentOptimizer + ' in chain' ) except ValueError: return S_ERROR( 'The ' + currentOptimizer + ' not found in the chain' ) result = self.setJobStatus( jobID, status = "Checking", minor = nextOptimizer ) if not result[ 'OK' ]: return result return S_OK( nextOptimizer ) ############################################################################ def countJobs( self, condDict, older = None, newer = None, timeStamp = 'LastUpdateTime' ): """ Get the number of jobs matching conditions specified by condDict and time limits """ self.log.debug ( 'JobDB.countJobs: counting Jobs' ) return self.countEntries( 'Jobs', condDict, older = older, newer = newer, timeStamp = timeStamp ) ############################################################################# def selectJobs( self, condDict, older = None, newer = None, timeStamp = 'LastUpdateTime', orderAttribute = None, limit = None ): """ Select jobs matching the following conditions: - condDict dictionary of required Key = Value pairs; - with the last update date older and/or newer than given dates; The result is ordered by JobID if requested, the result is limited to a given number of jobs if requested. """ self.log.debug( 'JobDB.selectJobs: retrieving jobs.' ) res = self.getFields( 'Jobs', ['JobID'], condDict = condDict, limit = limit, older = older, newer = newer, timeStamp = timeStamp, orderAttribute = orderAttribute ) if not res['OK']: return res if not len( res['Value'] ): return S_OK( [] ) return S_OK( [ self._to_value( i ) for i in res['Value'] ] ) ############################################################################# def selectJobWithStatus( self, status ): """ Get the list of jobs with a given Major Status """ return self.selectJobs( {'Status':status} ) ############################################################################# def setJobAttribute( self, jobID, attrName, attrValue, update = False, myDate = None ): """ Set an attribute value for job specified by jobID. The LastUpdate time stamp is refreshed if explicitly requested """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( attrValue ) if not ret['OK']: return ret value = ret['Value'] #FIXME: need to check the validity of attrName if update: cmd = "UPDATE Jobs SET %s=%s,LastUpdateTime=UTC_TIMESTAMP() WHERE JobID=%s" % ( attrName, value, jobID ) else: cmd = "UPDATE Jobs SET %s=%s WHERE JobID=%s" % ( attrName, value, jobID ) if myDate: cmd += ' AND LastUpdateTime < %s' % myDate res = self._update( cmd ) if res['OK']: return res else: return S_ERROR( 'JobDB.setAttribute: failed to set attribute' ) ############################################################################# def setJobAttributes( self, jobID, attrNames, attrValues, update = False, myDate = None ): """ Set an attribute value for job specified by jobID. The LastUpdate time stamp is refreshed if explicitely requested """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] if len( attrNames ) != len( attrValues ): return S_ERROR( 'JobDB.setAttributes: incompatible Argument length' ) # FIXME: Need to check the validity of attrNames attr = [] for i in range( len( attrNames ) ): ret = self._escapeString( attrValues[i] ) if not ret['OK']: return ret value = ret['Value'] attr.append( "%s=%s" % ( attrNames[i], value ) ) if update: attr.append( "LastUpdateTime=UTC_TIMESTAMP()" ) if len( attr ) == 0: return S_ERROR( 'JobDB.setAttributes: Nothing to do' ) cmd = 'UPDATE Jobs SET %s WHERE JobID=%s' % ( ', '.join( attr ), jobID ) if myDate: cmd += ' AND LastUpdateTime < %s' % myDate res = self._update( cmd ) if res['OK']: return res else: return S_ERROR( 'JobDB.setAttributes: failed to set attribute' ) ############################################################################# def setJobStatus( self, jobID, status = '', minor = '', application = '', appCounter = None ): """ Set status of the job specified by its jobID """ # Do not update the LastUpdate time stamp if setting the Stalled status update_flag = True if status == "Stalled": update_flag = False attrNames = [] attrValues = [] if status: attrNames.append( 'Status' ) attrValues.append( status ) if minor: attrNames.append( 'MinorStatus' ) attrValues.append( minor ) if application: attrNames.append( 'ApplicationStatus' ) attrValues.append( application ) if appCounter: attrNames.append( 'ApplicationNumStatus' ) attrValues.append( appCounter ) result = self.setJobAttributes( jobID, attrNames, attrValues, update = update_flag ) if not result['OK']: return result return S_OK() ############################################################################# def setEndExecTime( self, jobID, endDate = None ): """ Set EndExecTime time stamp """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] if endDate: ret = self._escapeString( endDate ) if not ret['OK']: return ret endDate = ret['Value'] req = "UPDATE Jobs SET EndExecTime=%s WHERE JobID=%s AND EndExecTime IS NULL" % ( endDate, jobID ) else: req = "UPDATE Jobs SET EndExecTime=UTC_TIMESTAMP() WHERE JobID=%s AND EndExecTime IS NULL" % jobID result = self._update( req ) return result ############################################################################# def setStartExecTime( self, jobID, startDate = None ): """ Set StartExecTime time stamp """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] if startDate: ret = self._escapeString( startDate ) if not ret['OK']: return ret startDate = ret['Value'] req = "UPDATE Jobs SET StartExecTime=%s WHERE JobID=%s AND StartExecTime IS NULL" % ( startDate, jobID ) else: req = "UPDATE Jobs SET StartExecTime=UTC_TIMESTAMP() WHERE JobID=%s AND StartExecTime IS NULL" % jobID result = self._update( req ) return result ############################################################################# def setJobParameter( self, jobID, key, value ): """ Set a parameter specified by name,value pair for the job JobID """ ret = self._escapeString( key ) if not ret['OK']: return ret e_key = ret['Value'] ret = self._escapeString( value ) if not ret['OK']: return ret e_value = ret['Value'] cmd = 'REPLACE JobParameters (JobID,Name,Value) VALUES (%d,%s,%s)' % ( int( jobID ), e_key, e_value ) result = self._update( cmd ) if not result['OK']: result = S_ERROR( 'JobDB.setJobParameter: operation failed.' ) return result ############################################################################# def setJobParameters( self, jobID, parameters ): """ Set parameters specified by a list of name/value pairs for the job JobID """ if not parameters: return S_OK() insertValueList = [] for name, value in parameters: ret = self._escapeString( name ) if not ret['OK']: return ret e_name = ret['Value'] ret = self._escapeString( value ) if not ret['OK']: return ret e_value = ret['Value'] insertValueList.append( '(%s,%s,%s)' % ( jobID, e_name, e_value ) ) cmd = 'REPLACE JobParameters (JobID,Name,Value) VALUES %s' % ', '.join( insertValueList ) result = self._update( cmd ) if not result['OK']: return S_ERROR( 'JobDB.setJobParameters: operation failed.' ) return result ############################################################################# def setJobOptParameter( self, jobID, name, value ): """ Set an optimzer parameter specified by name,value pair for the job JobID """ ret = self._escapeString( jobID ) if not ret['OK']: return ret e_jobID = ret['Value'] ret = self._escapeString( name ) if not ret['OK']: return ret e_name = ret['Value'] cmd = 'DELETE FROM OptimizerParameters WHERE JobID=%s AND Name=%s' % ( e_jobID, e_name ) if not self._update( cmd )['OK']: result = S_ERROR( 'JobDB.setJobOptParameter: operation failed.' ) result = self.insertFields( 'OptimizerParameters', ['JobID', 'Name', 'Value'], [jobID, name, value] ) if not result['OK']: return S_ERROR( 'JobDB.setJobOptParameter: operation failed.' ) return S_OK() ############################################################################# def removeJobOptParameter( self, jobID, name ): """ Remove the specified optimizer parameter for jobID """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( name ) if not ret['OK']: return ret name = ret['Value'] cmd = 'DELETE FROM OptimizerParameters WHERE JobID=%s AND Name=%s' % ( jobID, name ) if not self._update( cmd )['OK']: return S_ERROR( 'JobDB.removeJobOptParameter: operation failed.' ) else: return S_OK() ############################################################################# def clearAtticParameters( self, jid ): try: jid = int( jid ) except ValueError: return S_ERROR( "jid has to be a number" ) return self._update( "DELETE FROM AtticJobParameters WHERE JobID=%s" % jid ) ############################################################################# def setAtticParameters( self, jid, rescheduleCounter, paramsDict ): if not paramsDict: return S_OK() try: jid = int( jid ) rescheduleCounter = int( rescheduleCounter ) except ValueError: return S_ERROR( "Invalud jid/reschedulecounter. Not a number" ) entries = [] for key in paramsDict: ret = self._escapeString( paramsDict[ key ] ) if not ret['OK']: return ret value = ret['Value'] ret = self._escapeString( key ) if not ret['OK']: return ret key = ret['Value'] entries.append( "(%d,%d,%s,%s)" % ( jid, rescheduleCounter, key, value, ) ) return self._update( "INSERT INTO AtticJobParameters VALUES %s" % ",".join( entries ) ) ############################################################################# def setAtticJobParameter( self, jobID, key, value, rescheduleCounter ): """ Set attic parameter for job specified by its jobID when job rescheduling for later debugging """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( key ) if not ret['OK']: return ret key = ret['Value'] ret = self._escapeString( value ) if not ret['OK']: return ret value = ret['Value'] ret = self._escapeString( rescheduleCounter ) if not ret['OK']: return ret rescheduleCounter = ret['Value'] cmd = 'INSERT INTO AtticJobParameters (JobID,RescheduleCycle,Name,Value) VALUES(%s,%s,%s,%s)' % \ ( jobID, rescheduleCounter, key, value ) result = self._update( cmd ) if not result['OK']: result = S_ERROR( 'JobDB.setAtticJobParameter: operation failed.' ) return result ############################################################################# def setJobJDL( self, jobID, jdl = None, originalJDL = None ): """ Insert JDL's for job specified by jobID """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( jdl ) if not ret['OK']: return ret e_JDL = ret['Value'] ret = self._escapeString( originalJDL ) if not ret['OK']: return ret e_originalJDL = ret['Value'] req = "SELECT OriginalJDL FROM JobJDLs WHERE JobID=%s" % jobID result = self._query( req ) updateFlag = False if result['OK']: if len( result['Value'] ) > 0: updateFlag = True if jdl: if updateFlag: cmd = "UPDATE JobJDLs Set JDL=%s WHERE JobID=%s" % ( e_JDL, jobID ) else: cmd = "INSERT INTO JobJDLs (JobID,JDL) VALUES (%s,%s)" % ( jobID, e_JDL ) result = self._update( cmd ) if not result['OK']: return result if originalJDL: if updateFlag: cmd = "UPDATE JobJDLs Set OriginalJDL=%s WHERE JobID=%s" % ( e_originalJDL, jobID ) else: cmd = "INSERT INTO JobJDLs (JobID,OriginalJDL) VALUES (%s,%s)" % ( jobID, e_originalJDL ) result = self._update( cmd ) return result ############################################################################# def __insertNewJDL( self, jdl ): """Insert a new JDL in the system, this produces a new JobID """ err = 'JobDB.__insertNewJDL: Failed to retrieve a new Id.' result = self.insertFields( 'JobJDLs' , ['OriginalJDL'], [jdl] ) if not result['OK']: self.log.error( 'Can not insert New JDL', result['Message'] ) return result jid = result[ 'lastRowId' ] return S_OK( jid ) ############################################################################# def getJobJDL( self, jobID, original = False, status = '' ): """ Get JDL for job specified by its jobID. By default the current job JDL is returned. If 'original' argument is True, original JDL is returned """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( status ) if not ret['OK']: return ret e_status = ret['Value'] if original: cmd = "SELECT OriginalJDL FROM JobJDLs WHERE JobID=%s" % jobID else: cmd = "SELECT JDL FROM JobJDLs WHERE JobID=%s" % jobID if status: cmd = cmd + " AND Status=%s" % e_status result = self._query( cmd ) if result['OK']: jdl = result['Value'] if not jdl: return S_OK( jdl ) else: return S_OK( result['Value'][0][0] ) else: return result def getJobsInHerd( self, jid ): try: jid = int( jid ) except ValueError: return S_ERROR( "jid has to be a number" % jid ) result = self._query( "SELECT JobID FROM Jobs WHERE MasterJobID=%d" % jid ) if not result[ 'OK' ]: return result return S_OK( [ row[0] for row in result[ 'Value' ] ] ) def insertSplittedManifests( self, jid, manifests ): jidList = [ jid ] with self.transaction as commit: result = self.getJobJDL( jid, original = True ) if not result[ 'OK' ]: return result sourceManifest = result[ 'Value' ] result = self.insertFields( 'MasterJDLs', inDict = { 'JobID' : jid, 'JDL' : sourceManifest } ) if not result[ 'OK' ]: return result jobManifest = manifests[0] manifestJDL = jobManifest.dumpAsJDL() result = self.updateFields( 'JobJDLs', condDict = { 'JobID' : jid }, updateDict = { 'JDL' : manifestJDL, 'OriginalJDL' : manifestJDL, 'JobRequirements' : '' } ) if not result[ 'OK' ]: return result #Get source job input data result = self.getInputData( jid ) if not result[ 'OK' ]: return result sourceInputData = result[ 'Value' ] #Reset source Job Values upDict = { 'Status' : 'Received', 'MinorStatus' : 'Job accepted', 'ApplicationStatus' : 'Unknown', 'HerdState' : 'Splitted' } for name in ( 'JobName', 'JobType', 'JobGroup', 'Priority' ): value = jobManifest.getOption( name ) if name == 'Priority': name = 'UserPriority' if value: upDict[ name ] = value result = self.updateFields( 'Jobs', condDict = { 'JobID' : jid }, updateDict = upDict ) if not result[ 'OK' ]: return result #Reduce source job input data if sourceInputData: inputData = {} for lfn in jobManifest.getOption( "InputData", [] ): if lfn not in sourceInputData: return S_ERROR( "LFN in splitted manifest does not exist in the original: %s" % lfn ) inputData[ lfn ] = dict( sourceInputData[ lfn ] ) result = self.setInputData( jid, inputData ) if not result[ 'OK' ]: return result #Get job attributes to copy them to children jobs result = self.getJobAttributes( jid, [ 'Owner', 'OwnerDN', 'OwnerGroup', 'DIRACSetup' ] ) if not result[ 'OK' ]: return result attrs = result[ 'Value' ] #Do the magic! for manifest in manifests[1:]: result = self.insertNewJobIntoDB( manifest.dumpAsJDL(), attrs[ 'Owner' ], attrs[ 'OwnerDN' ], attrs[ 'OwnerGroup' ], attrs[ 'DIRACSetup' ], jid ) if not result[ 'OK' ]: return result jidList.append( result[ 'Value' ] ) if sourceInputData: inputData = {} for lfn in manifest.getOption( "InputData", [] ): if lfn not in sourceInputData: return S_ERROR( "LFN in splitted manifest does not exist in the original: %s" % lfn ) inputData[ lfn ] = dict( sourceInputData[ lfn ] ) result = self.setInputData( jidList[-1], inputData ) if not result[ 'OK' ]: return result commit() return S_OK( jidList ) ############################################################################# def insertNewJobIntoDB( self, jdl, owner, ownerDN, ownerGroup, diracSetup, parentJob = None ): """ Insert the initial JDL into the Job database, Do initial JDL crosscheck, Set Initial job Attributes and Status """ jobManifest = JobManifest() result = jobManifest.load( jdl ) if not result['OK']: return result jobManifest.setOptionsFromDict( { 'OwnerName' : owner, 'OwnerDN' : ownerDN, 'OwnerGroup' : ownerGroup, 'DIRACSetup' : diracSetup } ) result = jobManifest.check() if not result['OK']: return result # 1.- insert original JDL on DB and get new JobID # Fix the possible lack of the brackets in the JDL if jdl.strip()[0].find( '[' ) != 0 : jdl = '[' + jdl + ']' result = self.__insertNewJDL( jdl ) if not result[ 'OK' ]: return S_ERROR( 'Can not insert manifest into DB: %s' % result[ 'Message' ] ) jid = result[ 'Value' ] result = self.__checkAndPrepareManifest( jobManifest, jid, owner, ownerDN, ownerGroup, diracSetup ) if not result['OK']: return result jobManifest.remove( 'JobRequirements' ) result = self.setJobJDL( jid, jobManifest.dumpAsJDL() ) if not result['OK']: return result attrs = {} attrs[ 'JobID' ] = jid attrs[ 'LastUpdateTime' ] = Time.toString() attrs[ 'SubmissionTime' ] = Time.toString() attrs[ 'Owner' ] = owner attrs[ 'OwnerDN' ] = ownerDN attrs[ 'OwnerGroup' ] = ownerGroup attrs[ 'DIRACSetup' ] = diracSetup attrs[ 'VerifiedFlag' ] = True attrs[ 'Status' ] = 'Received' attrs[ 'MinorStatus' ] = 'Job accepted' site = jobManifest.getOption( 'Site', [] ) if not site: attrs[ 'Site' ] = 'ANY' elif len( site ) > 1: attrs[ 'Site' ] = 'Multiple' else: attrs[ 'Site' ] = site[0] if jobManifest.getOption( "Splitter", "" ): attrs[ 'HerdState' ] = "WillSplit" if parentJob == None: parentJob = jid attrs[ 'MasterJobID' ] = parentJob for name in ( 'JobName', 'JobType', 'JobGroup', 'Priority' ): value = jobManifest.getOption( name ) if name == 'Priority': name = 'UserPriority' if value: attrs[ name ] = value result = self.insertFields( 'Jobs', inDict = attrs ) if not result['OK']: return result result = S_OK( jid ) result[ 'JobID' ] = jid result[ 'Status' ] = 'Received' result[ 'MinorStatus' ] = 'Job accepted' return result ############################################################################# def __checkAndPrepareManifest( self, jobManifest, jid, owner, ownerDN, ownerGroup, DIRACSetup ): """ Check Consistency of Submitted JDL and set some defaults Prepare subJDL with Job Requirements """ VO = Registry.getVOForGroup( ownerGroup ) manifestData = { 'OwnerName' : owner, 'OwnerDN': ownerDN, 'OwnerGroup' : ownerGroup, 'DIRACSetup' : DIRACSetup, 'JobID' : jid, 'VirtualOrganization' : VO } jobManifest.setOptionsFromDict( manifestData ) if not jobManifest.isOption( 'SubmitPools' ): submitPools = Registry.getVOOption( VO, 'SubmitPools' ) if submitPools: jobManifest.setOption( 'SubmitPools', submitPools ) voPolicyDict = gConfig.getOptionsDict( '/DIRAC/VOPolicy/%s/%s' % ( VO, DIRACSetup ) ) if voPolicyDict['OK']: voPolicy = voPolicyDict['Value'] for k in voPolicy: if not jobManifest.isOption( k ): jobManifest.setOption( k, voPolicy[ k ] ) jobManifest.remove( "JobRequirements" ) # Legacy check to suite the LHCb logic #if not systemConfig: # systemConfig = classAdJob.getAttributeString( 'SystemConfig' ) result = jobManifest.check() if not result['OK']: return result jobManifest.expand() return S_OK() ############################################################################# def removeJobFromDB( self, jobIDs ): """Remove job from DB Remove job from the Job DB and clean up all the job related data in various tables """ #ret = self._escapeString(jobID) #if not ret['OK']: # return ret #e_jobID = ret['Value'] if type( jobIDs ) != type( [] ): jobIDList = [jobIDs] else: jobIDList = jobIDs failedTablesList = [] jobIDString = ','.join( [str( int( j ) ) for j in jobIDList] ) cmd = "DELETE LFN, Replicas FROM LFN, Replicas WHERE Replicas.LFNID = LFN.LFNID AND LFN.JobID in (%s)" % jobIDString result = self._update( cmd ) if not result[ 'OK' ]: return result for table in ( 'JobJDLs', 'InputData', 'JobParameters', 'AtticJobParameters', 'HeartBeatLoggingInfo', 'OptimizerParameters', 'Jobs', 'MasterJDLs' ): cmd = 'DELETE FROM %s WHERE JobID in (%s)' % ( table, jobIDString ) result = self._update( cmd ) if not result['OK']: failedTablesList.append( table ) result = S_OK() #if failedSubjobList: # result = S_ERROR( 'Errors while job removal' ) # result['FailedSubjobs'] = failedSubjobList if failedTablesList: result = S_ERROR( 'Errors while job removal' ) result['FailedTables'] = failedTablesList return result ################################################################# def rescheduleJobs( self, jobIDs ): """ Reschedule all the jobs in the given list """ failedJobs = [] for jobID in jobIDs: result = self.rescheduleJob( jobID ) if not result['OK']: failedJobs.append( jobID ) if failedJobs: result = S_ERROR( 'JobDB.rescheduleJobs: Not all the jobs were rescheduled' ) result['FailedJobs'] = failedJobs return S_OK() ############################################################################# def __failJob( self, jid, minor, errMsg ): result = self.setJobStatus( jid, status = 'Failed', minor = minor ) ret = S_ERROR( errMsg ) if result[ 'OK' ]: ret.update( { 'Status' : 'Failed', 'MinorStatus' : minor } ) return ret ############################################################################# def resetJob( self, jid ): result = self.setJobAttributes( jid, [ 'RescheduleCounter' ], [ -1 ] ) if not result[ 'OK' ]: return self.__failJob( jid, "Error resetting job", "Error setting reschedule counter: %s" % result[ 'Message' ] ) result = self.clearAtticParameters( jid ) if not result[ 'OK' ]: return self.__failJob( jid, "Error cleaning attic", "Error cleaning attic: %s" % result[ 'Message' ] ) return self.rescheduleJob( jid ) ############################################################################# def rescheduleJob ( self, jid ): """ Reschedule the given job to run again from scratch. Retain the already defined parameters in the parameter Attic """ #I feel dirty after looking at this method try: jid = int( jid ) except ValueError: return S_ERROR( "jid is not an number! Get out!" ) # Check Verified Flag result = self.getJobAttributes( jid, ['Status', 'MinorStatus', 'VerifiedFlag', 'RescheduleCounter', 'Owner', 'OwnerDN', 'OwnerGroup', 'DIRACSetup'] ) if not result['OK']: return S_ERROR( 'JobDB.getJobAttributes: Job %d does not exist' % jid ) attrs = result['Value'] #This is useless? if not attrs['VerifiedFlag']: return S_ERROR( 'Job %s not Verified: Status = %s, MinorStatus = %s' % ( jid, attrs['Status'], attrs['MinorStatus'] ) ) # Check the Reschedule counter first rescheduleCounter = int( attrs['RescheduleCounter'] ) + 1 self.maxRescheduling = gConfig.getValue( self.cs_path + '/MaxRescheduling', self.maxRescheduling ) # Exit if the limit of the reschedulings is reached if rescheduleCounter > self.maxRescheduling: self.log.warn( 'Maximum number of reschedulings is reached', 'Job %s' % jid ) return self.__failJob( jid, 'Maximum of reschedulings reached', 'Maximum number of reschedulings is reached: %s' % self.maxRescheduling ) # Save the job parameters for later debugging result = self.getJobParameters( jid ) if result['OK']: parDict = result['Value'] result = self.setAtticParameters( jid, rescheduleCounter - 1, parDict ) if not result['OK']: return self.__failJob( jid, "Error setting parameter", "Can't set attic parameter: %s" % result[ 'Message' ] ) for tableName in ( 'JobParameters', 'OptimizerParameters' ): cmd = 'DELETE FROM JobParameters WHERE JobID=%d' % jid res = self._update( cmd ) if not res['OK']: return self.__failJob( jid, "Error cleaning %s" % tableName, "Can't clean %s: %s" % ( tableName, res[ 'Message' ] ) ) result = self.__cleanInputData( jid ) if not result[ 'OK' ]: return self.__failJob( jid, "Error rescheduling", "Can't clean input data: %s" % result[ 'Message' ] ) # the Jobreceiver needs to know if there is InputData ??? to decide which optimizer to call # proposal: - use the getInputData method res = self.getJobJDL( jid, original = True ) if not res['OK']: return self.__failJob( jid, "Error getting JDL", "Can't retrieve JDL: %s" % res[ 'Value' ] ) jdl = res['Value'] # Fix the possible lack of the brackets in the JDL if jdl.strip()[0].find( '[' ) != 0 : jdl = '[%s]' % jdl jobManifest = JobManifest() jobManifest.loadJDL( jdl ) result = self.__checkAndPrepareManifest( jobManifest, jid, attrs['Owner'], attrs['OwnerDN'], attrs['OwnerGroup'], attrs['DIRACSetup'] ) if not result['OK']: return self.__failJob( jid, "Error prepare JDL", "Can't prepare JDL: %s" % res[ 'Value' ] ) result = self.setJobJDL( jid, jobManifest.dumpAsJDL() ) if not result['OK']: return self.__failJob( jid, "Error setting JDL", "Can't set JDL: %s" % res[ 'Value' ] ) attrs = {} attrs[ 'RescheduleCounter' ] = rescheduleCounter attrs[ 'Status' ] = 'Received' attrs[ 'MinorStatus' ] = 'Job accepted' attrs[ 'ApplicationStatus' ] = 'Unknown' attrs[ 'ApplicationNumStatus' ] = 0 attrs[ 'RescheduleTime' ] = Time.toString() attrs[ 'LastUpdateTime' ] = Time.toString() attrs[ 'SubmissionTime' ] = Time.toString() site = jobManifest.getOption( 'Site', [] ) if not site: attrs[ 'Site' ] = 'ANY' elif len( site ) > 1: attrs[ 'Site' ] = 'Multiple' else: attrs[ 'Site' ] = site[0] result = self.updateFields( 'Jobs', condDict = { 'JobID' : jid }, updateDict = attrs ) if not result['OK']: return self.__failJob( jid, "Error setting attrs", "Can't set attributes: %s" % res[ 'Value' ] ) retVal = S_OK( jid ) retVal['JobID'] = jid retVal['InputData'] = jobManifest.getOption( "InputData" ) retVal['RescheduleCounter'] = rescheduleCounter retVal['Status'] = 'Received' retVal['MinorStatus'] = 'Job Rescheduled' return retVal ############################################################################# def setSandboxReady( self, jobID, stype = 'InputSandbox' ): """ Set the sandbox status ready for the job with jobID """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] if stype == "InputSandbox": field = "ISandboxReadyFlag" elif stype == "OutputSandbox": field = "OSandboxReadyFlag" else: return S_ERROR( 'Illegal Sandbox type: ' + stype ) cmd = "UPDATE Jobs SET %s='True' WHERE JobID=%s" % ( field, jobID ) result = self._update( cmd ) return result ################################################################################# def getSiteSummary( self ): """ Get the summary of jobs in a given status on all the sites """ waitingList = ['"Submitted"', '"Assigned"', '"Waiting"', '"Matched"'] waitingString = ','.join( waitingList ) result = self.getDistinctJobAttributes( 'Site' ) if not result['OK']: return result siteList = result['Value'] siteDict = {} totalDict = {'Waiting':0, 'Running':0, 'Stalled':0, 'Done':0, 'Failed':0} for site in siteList: if site == "ANY": continue # Waiting siteDict[site] = {} ret = self._escapeString( site ) if not ret['OK']: return ret e_site = ret['Value'] req = "SELECT COUNT(JobID) FROM Jobs WHERE Status IN (%s) AND Site=%s" % ( waitingString, e_site ) result = self._query( req ) if result['OK']: count = result['Value'][0][0] else: return S_ERROR( 'Failed to get Site data from the JobDB' ) siteDict[site]['Waiting'] = count totalDict['Waiting'] += count # Running,Stalled,Done,Failed for status in ['"Running"', '"Stalled"', '"Done"', '"Failed"']: req = "SELECT COUNT(JobID) FROM Jobs WHERE Status=%s AND Site=%s" % ( status, e_site ) result = self._query( req ) if result['OK']: count = result['Value'][0][0] else: return S_ERROR( 'Failed to get Site data from the JobDB' ) siteDict[site][status.replace( '"', '' )] = count totalDict[status.replace( '"', '' )] += count siteDict['Total'] = totalDict return S_OK( siteDict ) ################################################################################# def getSiteSummaryWeb( self, selectDict, sortList, startItem, maxItems ): """ Get the summary of jobs in a given status on all the sites in the standard Web form """ paramNames = ['Site', 'GridType', 'Country', 'Tier', 'MaskStatus'] paramNames += JOB_STATES paramNames += ['Efficiency', 'Status'] siteT1List = ['CERN', 'IN2P3', 'NIKHEF', 'PIC', 'CNAF', 'RAL', 'GRIDKA'] # Sort out records as requested sortItem = -1 sortOrder = "ASC" if sortList: item = sortList[0][0] # only one item for the moment sortItem = paramNames.index( item ) sortOrder = sortList[0][1] last_update = None if selectDict.has_key( 'LastUpdateTime' ): last_update = selectDict['LastUpdateTime'] del selectDict['LastUpdateTime'] result = self.getCounters( 'Jobs', ['Site', 'Status'], {}, newer = last_update, timeStamp = 'LastUpdateTime' ) last_day = Time.dateTime() - Time.day resultDay = self.getCounters( 'Jobs', ['Site', 'Status'], {}, newer = last_day, timeStamp = 'EndExecTime' ) # Get the site mask status siteStatus = SiteStatus() siteMask = {} resultMask = getSites( fullName = True ) if resultMask['OK']: for site in resultMask['Value']: siteMask[site] = 'NoMask' resultMask = siteStatus.getUsableSites( 'ComputingAccess' ) if resultMask['OK']: for site in resultMask['Value']: siteMask[site] = 'Active' resultMask = siteStatus.getUnusableSites( 'ComputingAccess' ) if resultMask['OK']: for site in resultMask['Value']: siteMask[site] = 'Banned' # Sort out different counters resultDict = {} if result['OK']: for attDict, count in result['Value']: siteFullName = attDict['Site'] status = attDict['Status'] if not resultDict.has_key( siteFullName ): resultDict[siteFullName] = {} for state in JOB_STATES: resultDict[siteFullName][state] = 0 if status not in JOB_FINAL_STATES: resultDict[siteFullName][status] = count if resultDay['OK']: for attDict, count in resultDay['Value']: siteFullName = attDict['Site'] if not resultDict.has_key( siteFullName ): resultDict[siteFullName] = {} for state in JOB_STATES: resultDict[siteFullName][state] = 0 status = attDict['Status'] if status in JOB_FINAL_STATES: resultDict[siteFullName][status] = count # Collect records now records = [] countryCounts = {} for siteFullName in resultDict: siteDict = resultDict[siteFullName] if siteFullName.find( '.' ) != -1: grid, site, country = siteFullName.split( '.' ) else: grid, site, country = 'Unknown', 'Unknown', 'Unknown' tier = 'Tier-2' if site in siteT1List: tier = 'Tier-1' if not countryCounts.has_key( country ): countryCounts[country] = {} for state in JOB_STATES: countryCounts[country][state] = 0 rList = [siteFullName, grid, country, tier] if siteMask.has_key( siteFullName ): rList.append( siteMask[siteFullName] ) else: rList.append( 'NoMask' ) for status in JOB_STATES: rList.append( siteDict[status] ) countryCounts[country][status] += siteDict[status] efficiency = 0 total_finished = 0 for state in JOB_FINAL_STATES: total_finished += resultDict[siteFullName][state] if total_finished > 0: efficiency = float( siteDict['Done'] + siteDict['Completed'] ) / float( total_finished ) rList.append( '%.1f' % ( efficiency * 100. ) ) # Estimate the site verbose status if efficiency > 0.95: rList.append( 'Good' ) elif efficiency > 0.80: rList.append( 'Fair' ) elif efficiency > 0.60: rList.append( 'Poor' ) elif total_finished == 0: rList.append( 'Idle' ) else: rList.append( 'Bad' ) records.append( rList ) # Select records as requested if selectDict: for item in selectDict: selectItem = paramNames.index( item ) values = selectDict[item] if type( values ) != type( [] ): values = [values] indices = range( len( records ) ) indices.reverse() for ind in indices: if records[ind][selectItem] not in values: del records[ind] # Sort records as requested if sortItem != -1 : if sortOrder.lower() == "asc": records.sort( key = operator.itemgetter( sortItem ) ) else: records.sort( key = operator.itemgetter( sortItem ), reverse = True ) # Collect the final result finalDict = {} finalDict['ParameterNames'] = paramNames # Return all the records if maxItems == 0 or the specified number otherwise if maxItems: if startItem + maxItems > len( records ): finalDict['Records'] = records[startItem:] else: finalDict['Records'] = records[startItem:startItem + maxItems] else: finalDict['Records'] = records finalDict['TotalRecords'] = len( records ) finalDict['Extras'] = countryCounts return S_OK( finalDict ) ################################################################################# def getUserSummaryWeb( self, selectDict, sortList, startItem, maxItems ): """ Get the summary of user jobs in a standard form for the Web portal. Pagination and global sorting is supported. """ paramNames = ['Owner', 'OwnerDN', 'OwnerGroup'] paramNames += JOB_STATES paramNames += ['TotalJobs'] # Sort out records as requested sortItem = -1 sortOrder = "ASC" if sortList: item = sortList[0][0] # only one item for the moment sortItem = paramNames.index( item ) sortOrder = sortList[0][1] last_update = None if selectDict.has_key( 'LastUpdateTime' ): last_update = selectDict['LastUpdateTime'] del selectDict['LastUpdateTime'] if selectDict.has_key( 'Owner' ): username = selectDict['Owner'] del selectDict['Owner'] result = Registry.getDNForUsername( username ) if result['OK']: selectDict['OwnerDN'] = result['Value'] else: return S_ERROR( 'Unknown user %s' % username ) result = self.getCounters( 'Jobs', ['OwnerDN', 'OwnerGroup', 'Status'], selectDict, newer = last_update, timeStamp = 'LastUpdateTime' ) last_day = Time.dateTime() - Time.day resultDay = self.getCounters( 'Jobs', ['OwnerDN', 'OwnerGroup', 'Status'], selectDict, newer = last_day, timeStamp = 'EndExecTime' ) # Sort out different counters resultDict = {} for attDict, count in result['Value']: owner = attDict['OwnerDN'] group = attDict['OwnerGroup'] status = attDict['Status'] if not resultDict.has_key( owner ): resultDict[owner] = {} if not resultDict[owner].has_key( group ): resultDict[owner][group] = {} for state in JOB_STATES: resultDict[owner][group][state] = 0 resultDict[owner][group][status] = count for attDict, count in resultDay['Value']: owner = attDict['OwnerDN'] group = attDict['OwnerGroup'] status = attDict['Status'] if status in JOB_FINAL_STATES: resultDict[owner][group][status] = count # Collect records now records = [] totalUser = {} for owner in resultDict: totalUser[owner] = 0 for group in resultDict[owner]: result = Registry.getUsernameForDN( owner ) if result['OK']: username = result['Value'] else: username = 'Unknown' rList = [username, owner, group] count = 0 for state in JOB_STATES: s_count = resultDict[owner][group][state] rList.append( s_count ) count += s_count rList.append( count ) records.append( rList ) totalUser[owner] += count # Sort out records if sortItem != -1 : if sortOrder.lower() == "asc": records.sort( key = operator.itemgetter( sortItem ) ) else: records.sort( key = operator.itemgetter( sortItem ), reverse = True ) # Collect the final result finalDict = {} finalDict['ParameterNames'] = paramNames # Return all the records if maxItems == 0 or the specified number otherwise if maxItems: if startItem + maxItems > len( records ): finalDict['Records'] = records[startItem:] else: finalDict['Records'] = records[startItem:startItem + maxItems] else: finalDict['Records'] = records finalDict['TotalRecords'] = len( records ) return S_OK( finalDict ) ##################################################################################### def setHeartBeatData( self, jobID, staticDataDict, dynamicDataDict ): """ Add the job's heart beat data to the database """ # Set the time stamp first ret = self._escapeString( jobID ) if not ret['OK']: return ret e_jobID = ret['Value'] req = "UPDATE Jobs SET HeartBeatTime=UTC_TIMESTAMP(), Status='Running' WHERE JobID=%s" % e_jobID result = self._update( req ) if not result['OK']: return S_ERROR( 'Failed to set the heart beat time: ' + result['Message'] ) ok = True # FIXME: It is rather not optimal to use parameters to store the heartbeat info, must find a proper solution # Add static data items as job parameters result = self.setJobParameters( jobID, staticDataDict.items() ) if not result['OK']: ok = False self.log.warn( result['Message'] ) # Add dynamic data to the job heart beat log # start = time.time() valueList = [] for key, value in dynamicDataDict.items(): result = self._escapeString( key ) if not result['OK']: self.log.warn( 'Failed to escape string ' + key ) continue e_key = result['Value'] result = self._escapeString( value ) if not result['OK']: self.log.warn( 'Failed to escape string ' + value ) continue e_value = result['Value'] valueList.append( "( %s, %s,%s,UTC_TIMESTAMP())" % ( e_jobID, e_key, e_value ) ) if valueList: valueString = ','.join( valueList ) req = "INSERT INTO HeartBeatLoggingInfo (JobID,Name,Value,HeartBeatTime) VALUES " req += valueString result = self._update( req ) if not result['OK']: ok = False self.log.warn( result['Message'] ) if ok: return S_OK() else: return S_ERROR( 'Failed to store some or all the parameters' ) ##################################################################################### def getHeartBeatData( self, jobID ): """ Retrieve the job's heart beat data """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] cmd = 'SELECT Name,Value,HeartBeatTime from HeartBeatLoggingInfo WHERE JobID=%s' % jobID res = self._query( cmd ) if not res['OK']: return res if len( res['Value'] ) == 0: return S_OK ( [] ) result = [] values = res['Value'] for row in values: result.append( ( str( row[0] ), '%.01f' % ( float( row[1].replace( '"', '' ) ) ), str( row[2] ) ) ) return S_OK( result ) ##################################################################################### def setJobCommand( self, jobID, command, arguments = None ): """ Store a command to be passed to the job together with the next heart beat """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( command ) if not ret['OK']: return ret command = ret['Value'] if arguments: ret = self._escapeString( arguments ) if not ret['OK']: return ret arguments = ret['Value'] else: arguments = "''" req = "INSERT INTO JobCommands (JobID,Command,Arguments,ReceptionTime) " req += "VALUES (%s,%s,%s,UTC_TIMESTAMP())" % ( jobID, command, arguments ) result = self._update( req ) return result ##################################################################################### def getJobCommand( self, jobID, status = 'Received' ): """ Get a command to be passed to the job together with the next heart beat """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( status ) if not ret['OK']: return ret status = ret['Value'] req = "SELECT Command, Arguments FROM JobCommands WHERE JobID=%s AND Status=%s" % ( jobID, status ) result = self._query( req ) if not result['OK']: return result resultDict = {} if result['Value']: for row in result['Value']: resultDict[row[0]] = row[1] return S_OK( resultDict ) ##################################################################################### def setJobCommandStatus( self, jobID, command, status ): """ Set the command status """ ret = self._escapeString( jobID ) if not ret['OK']: return ret jobID = ret['Value'] ret = self._escapeString( command ) if not ret['OK']: return ret command = ret['Value'] ret = self._escapeString( status ) if not ret['OK']: return ret status = ret['Value'] req = "UPDATE JobCommands SET Status=%s WHERE JobID=%s AND Command=%s" % ( status, jobID, command ) result = self._update( req ) return result ##################################################################################### def getSummarySnapshot( self, requestedFields = False ): """ Get the summary snapshot for a given combination """ if not requestedFields: requestedFields = [ 'Status', 'MinorStatus', 'Site', 'Owner', 'OwnerGroup', 'JobGroup', 'HerdState' ] defFields = [ 'DIRACSetup' ] + requestedFields valueFields = [ 'COUNT(JobID)', 'SUM(RescheduleCounter)' ] defString = ", ".join( defFields ) valueString = ", ".join( valueFields ) sqlCmd = "SELECT %s, %s From Jobs GROUP BY %s" % ( defString, valueString, defString ) result = self._query( sqlCmd ) if not result[ 'OK' ]: return result return S_OK( ( ( defFields + valueFields ), result[ 'Value' ] ) )
avedaee/DIRAC
WorkloadManagementSystem/DB/JobDB.py
Python
gpl-3.0
87,548
[ "DIRAC" ]
2879ce0191e15d8e8190696068a49147d3baea9e79dda41deea124644d86360f
from OpenGL.GLUT import * from OpenGL.GLU import * from OpenGL.GL import * import sys import random import threading import time import Tank as DewTank name = 'Galaxy War' #Up Down Left Right xMin = 400 - 50 yMin = 300 - 50 xMax = 400 + 50 yMax = 300 + 50 def main(): print "main hi" tmpRen = RenderPls() tmpRen.setupVariable() class RenderPls (): a = 0 b = 0 lx = 0 ly = 0 myTank = DewTank def __init__(self): print "RenderPls init" def setupVariable(self): glutInit(sys.argv) glutInitDisplayMode(GLUT_DOUBLE | GLUT_RGB | GLUT_DEPTH) glutInitWindowSize(800, 600) glutCreateWindow(name) glClearColor(0.,0.,0.,1.) glutDisplayFunc(self.display) gluOrtho2D(0, 800, 600, 0); glMatrixMode(GL_MODELVIEW); glPushMatrix() glutMouseFunc(self.mouseEvent); #while(True): #display() #print ("looping") #thread1 = myThread(1, "Thread-1", 1,self) #thread1.start() glutMainLoop() print "end" return def mouseEvent(self, button, state, x, y): print ("mouse Event " ) mouseButton = button; if button == GLUT_LEFT_BUTTON: if(state == GLUT_DOWN): oldX = x; oldY = y; print ("click " + str(x) + " ," + str(y)) tmpC = [x,y] myTank.setX(x) myTank.setY(y) if button == GLUT_RIGHT_BUTTON: if(state == GLUT_DOWN): print ("right click test " + str(x) + " , " + str(y)) def display(self): glClear(GL_COLOR_BUFFER_BIT|GL_DEPTH_BUFFER_BIT) glPushMatrix() glLineWidth(2.5); glBegin(GL_LINES); # left line glColor3f(1.0, 0.0, 0.0); #a = random.random() * 800; #b = random.random() * 600 self.a = self.a + 1 # self.b = self.b + 1 a = self.a b = self.b glVertex2f(-400, 300); glVertex2f(400, 300); # right line glColor3f(0.0, 1.0, 0.0); glVertex2f(400, 300); glVertex2f(800, 300); glVertex2f(xMin ,yMin) glVertex2f(xMin ,yMax) glVertex2f(xMax ,yMin) glVertex2f(xMax ,yMax) glVertex2f(xMin ,yMin) glVertex2f(xMax ,yMin) glVertex2f(xMin ,yMax) glVertex2f(xMax ,yMax) # top line glColor3f(0.0, 0.0, 1.0); glVertex2f(400, 300); glVertex2f(400+(a-400), 300+(b-300)); lop = 0 tmpX = self.lx; tmpY = self.ly; glVertex2f(self.myTank.getX(), self.myTank.getY()) tmpX2 = 0; tmpY2 = 0; glVertex2f(tmpX2 , tmpY2) lop = lop + 2 glEnd(); glPopMatrix() glutSwapBuffers() glutPostRedisplay() return class myThread (threading.Thread): def __init__(self, threadID, name, counter, renderPls): threading.Thread.__init__(self) self.renderPls = renderPls self.threadID = threadID self.name = name self.counter = counter def run(self): print "Starting " + self.name while(True): self.counter = self.counter + 1 print "myThread Force display : " + str(self.counter) time.sleep(0.5) #self.renderPls.display() #glutPostRedisplay() print "myThread Force display 2" print "Exiting " + self.name if __name__ == '__main__': main()
dewtx29/python_ann
python/myGame/main.py
Python
gpl-3.0
3,743
[ "Galaxy" ]
da69594623428bc2f3d39c51635f6cdbfbf4202b2e3060bd6b6c4a948cbe18a2
############### # Brian Burns # MATH 238 # ay'' + by' + cy = 0 # secondOrder.py ############### import sys import math def main(): # make sure we have enough arguments if len(sys.argv) != 4: print("Usage: \"python secondOrder.py [a] [b] [c]\"") sys.exit(0) # grab the arguments a = float(sys.argv[1]) b = float(sys.argv[2]) c = float(sys.argv[3]) print("The solution to the equation is:\n") # get the auxiliary roots root = pow(b, 2) - (4*a*c) # y = c_1e^(r_1t) + c_2e^(r_2t) if root > 0: r1 = (-1*b + math.sqrt(root)) / 2*a r2 = (-1*b - math.sqrt(root)) / 2*a print("y = c_1e^("+str(r1)+"t) + c_2e^("+str(r2)+"t)") # y = c_1e^(rt) + c_2te^(rt) elif root == 0: r = (-1*b) / (2*a) print("y = c_1e^("+str(r)+"t) + c_2te^("+str(r)+"t)") else: alpha = (-1*b) / (2*a) beta = math.sqrt((-1*root)) / (2*a) # y = c_1cos(Bt) + c_2sin(Bt) if alpha == 0.0: print("y = c_1cos("+str(beta)+"t) + c_2sin("+str(beta)+"t)") # y = c_1e^(at)cos(Bt) + c_2e^(at)sin(Bt) else: print("y = c_1e^("+str(alpha)+"t)cos("+str(beta)+"t) + c_2e^("+str(alpha)+"t)sin("+str(beta)+"t)") if __name__ == "__main__": main()
brnbrns/DifferentialEquations
secondOrder.py
Python
gpl-2.0
1,287
[ "Brian" ]
e26edd8df316417522d8e90665c3e4758836bb4f5aae40a414f5303765ba51d3
# # Copyright 2008, 2009 Brian R. D'Urso # # This file is part of Python Instrument Control System, also known as Pythics. # # Pythics 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. # # Pythics 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 Pythics. If not, see <http://www.gnu.org/licenses/>. # # Module by Elliot Jenner, updated 9/16/2013 import visa class stepper_motor(visa.SerialInstrument): def __init__(self, loc, mode='Jog', vel_max = 10.0, accel_max=400.0): visa.SerialInstrument.__init__(self, loc) self.term_chars = visa.CR self.ask('PR4') #turn on acknowledgement self.write('IFD') self.accel_max = accel_max self.vel_max = vel_max self.is_moving = False self.__mode = mode def __return_parser(self, responce): #buffering issues sometimes occur where the ack-nak charter does not get pulled and waits for next read. Must clear to get to proper return if expecting value. if responce.partition('%')[1] != '%' or responce.partition('*')[1] != '*': return responce elif responce.partition('?')[1] !='?': return self.__acknowledge(responce, True) else: return self.__return_parser(self.read()) def __acknowledge(self, input, check = False): #return interpreter - for items that do not return numerical answers, a three symbol code is used. if input == ('%' or '*'): #% for instant, * for buffered return True else:# failure includes a code indicating failure type. to check, check = True if not check: return False else: error = { '1' : 'Timeout', '2' : 'Parameter Too Long', '3' : 'Too Few Parameters', '4' : 'Too Many Parameters', '5' : 'Parameter Out Of Range', '6' : 'Buffer Full', '7' : 'Cannot Process Command', '8' : 'Program Running', '9' : 'Bad Password', '10': 'Comm Port Error', '11': 'Bad Character', } return error[input.partition('%')[2]] #Process Commands - normal operation #motion commands def __get_mode(self): #mode defaults to Jog return self.__mode def __set_mode(self, mode): self.__mode = mode return True mode = property(__get_mode, __set_mode) def start(self): self.motor_enable() if self.mode == 'Jog': #accelerates with (accel) to speed set by (vel) stat = self.ask('CJ') if self.__acknowledge(stat): self.is_moving = True else: return 'wrong mode' def set_move(self, dist): self.motor_enable() #make a stepwise move if self.mode == 'Step': command = 'FL'+ str(dist) stat = self.__return_parser(self.ask(command)) if self.__acknowledge(stat): self.is_moving = True else: return 'wrong mode' def set_position(self, pos): #set the current position to pos command = 'SP'+ str(pos) return self.ask(command) def stop(self): if self.mode == 'Jog': #stops jog at decel rate (set decell) stat = self.ask('SJ') elif self.mode == 'Step': #stops steped movement with rate from (set_deccel) stat = self.ask('STD') if self.__acknowledge(stat): self.is_moving = False def __get_vel(self): if self.mode == 'Jog': #get currently set velocity in rev/sec. commands are different depending on if the motor is already moving. if self.is_moving: reply = self.__return_parser(self.ask('CS')) else: reply = self.__return_parser(self.ask('JS')) elif self.mode == 'Step': #get currently set velocity in rev/sec reply = self.__return_parser(self.ask('VE')) elif self.mode == 'Analog': return self.vel_max try: return float(reply.partition('=')[2]) except ValueError: return reply def __set_vel(self, vel): vel = '%.4f' % vel if self.mode == 'Jog': #set velocity in rev/sec. commands are different depending on if the motor is already moving. Be sure to set before start or last value set when motor is not moving has prescednece. if self.is_moving: command = 'CS' + str(vel) else: if float(vel) < 0: self.ask('DI-1') #set this to go counter clockwise vel[1:] #pull off the negative sign, this command doesn't understand it else: self.ask('DI1') #set this to go clockwise command = 'JS'+ str(vel) elif self.mode == 'Step': #set velocity in rev/sec if self.is_moving: command = 'VC'+ str(vel) else: command = 'VE'+ str(vel) return self.ask(command) vel = property(__get_vel, __set_vel) def get_current_vel(self): #returns the actual current velocity, rather than the set volocity as vel does. Replies in RPM, not RPS if self.mode == 'Jog': #get currently set velocity in rev/min. commands are different depending on if the motor is already moving. reply = self.__return_parser(self.ask('RLJ')) #Checks the intermediate commands. It does not read back anything from the motor if 'RS' in reply: #buffering catch reply = self.read() elif self.mode == 'Step': #get currently set velocity in rev/min reply = self.__return_parser(self.ask('RLJ')) #Checks the intermediate commands. It does not read back anything from the motor if 'RS' in reply: #buffering catch reply = self.read() elif self.mode == 'Analog': return self.vel_max try: return float(reply.partition('=')[2])*0.25 except ValueError: return reply*0.25 def __get_accel(self): if self.mode == 'Jog': #get currently set Acceleration in rev/sec/sec. reply = self.__return_parser(self.ask('JA')) elif self.mode == 'Step': #get currently set Acceleration in rev/sec/sec reply = self.__return_parser(self.ask('AC')) elif self.mode == 'Analog': return self.accel_max try: return float(reply.partition('=')[2]) except ValueError: return reply def __set_accel(self, accel): accel += 0.01 #due to truncation issues, it is necesary to increase the last digit accel = '%.4f' % accel if self.mode == 'Jog': #set acceleration in rev/sec/sec CANNOT BE CHANGED WHILE MOVING command = 'JA'+ str(accel) elif self.mode == 'Step': #set acceleration in rev/sec/sec command = 'AC'+ str(accel) return self.ask(command) accel = property(__get_accel, __set_accel) def __get_dccel(self): if self.mode == 'Jog': #get currently set Decceleration in rev/sec/sec reply = self.__return_parser(self.ask('JL')) elif self.mode == 'Step': #get currently set Decceleration in rev/sec/sec reply = self.__return_parser(self.ask('DE')) elif self.mode == 'Analog': return self.accel_max try: return float(reply.partition('=')[2]) except ValueError: return reply def __set_dccel(self, dccel): dccel += 0.01 #due to truncation issues, it is necesary to increase the last digit dccel = '%.4f' % dccel if self.mode == 'Jog': #set decceleration in rev/sec/sec. CANNOT BE CHANGED WHILE MOVING command = 'JL'+ str(dccel) elif self.mode == 'Step': #set decceleration in rev/sec/sec command = 'DE'+ str(dccel) elif self.mode == 'Analog': return 0 return self.ask(command) dccel = property(__get_dccel, __set_dccel) # analog commands def motor_mode_set(self,offset = 0.0, max_voltage = 5.0, deadband = 0.0): #NOTE deadband set in mV, all others in V if self.mode == 'Analog Velocity': self.motor_disable() self.ask('CM11') #go to analog velocity mode self.deadband = deadband self.scaling = 'Single Ended 0-5' #to match the capability of the ST5-S self.offset = offset self.max_voltage = max_voltage elif self.mode == 'Analog Position': self.motor_disable() self.ask('CM22') #go to analog position mode self.deadband = deadband self.scaling = 'Single Ended 0-5' #to match the capability of the ST5-S self.offset = offset self.max_voltage = max_voltage elif self.mode == 'Jog' or self.mode == 'Step': self.ask('CM21') #normal mode self.motor_enable() return True def __get_pos_gain(self): #the position in degrees given by the maximum analog input if self.mode == 'Analog Position': setting = self.__return_parser(self.ask('AP')) setting = float(setting.partition('=')[2]) return (setting*(360.0/20000.0)) else: return 'wrong mode' def __set_pos_gain(self, pos): if self.mode == 'Analog Position': input = int(pos*(20000.0/360.0))#convert from degrees to encoder counts where 1rev = 20000 counts return self.ask('AP' + str(input)) else: return 'wrong mode' pos_gain = property(__get_pos_gain, __set_pos_gain) def __get_vel_gain(self): #the speed given by the maximum analog input in RPS. if self.mode == 'Analog Velocity': setting = self.__return_parser(self.ask('AG')) setting = float(setting.partition('=')[2]) return (setting/240.0)/(4.0*self.max_voltage/(self.max_voltage-self.offset)) else: return 'wrong mode' def __set_vel_gain(self, vel): if self.mode == 'Analog Velocity': vel = 4.0*vel*(self.max_voltage/(self.max_voltage-self.offset))#compensates for offsets by comparing the offset to the maximum input voltage so the the highest point off center of the input wave will be the full set velocity input = int(vel*240.0)#240*speed in RPS gives the motor setting to match return self.ask('AG' + str(input)) else: return 'wrong mode' vel_gain = property(__get_vel_gain, __set_vel_gain) def __get_accel_max(self): #get currently set maximum allowed Acceleration in rev/sec/sec. also max deceleration. Can be used in other modes. Also sets e-stop. reply = self.__return_parser(self.ask('AM')) try: return float(reply.partition('=')[2]) except ValueError: return reply def __set_accel_max(self, accel): #set maximum allowed acceleration in rev/sec/sec. also sets max deceleration. Can be used in other modes. Also sets e-stop. accel += 0.01 #due to truncation issues, it is necesary to increase the last digit accel = '%.2f' % accel command = 'AM'+ str(accel) return self.ask(command) accel_max = property(__get_accel_max, __set_accel_max) def __get_offset(self): #offset for analog input in Volts. this value is read as zero if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': reply = self.ask('AV') return float(reply.partition('=')[2]) else: return 'wrong mode' def __set_offset(self, voltage = 0.0): if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': if voltage == 'seek': return self.ask('AZ') #pulls the current value of the voltage and sets it as the zero input else: return self.ask('AV' + str(voltage)) #set to the designated value else: return 'wrong mode' offset= property(__get_offset, __set_offset) def __get_filter(self): #analog input frequency filter in Hz. a value of zero indicates the filter is disabled if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': input = self.ask('AF') input = float(input.partition('=')[2]) if input == 0: return 0 else: frequency = 1400/((72090/input) - 2.2) return frequency else: return 'wrong mode' def __set_filter(self, frequency = 0.0): if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': if frequency != 0: input = int(72090/((1400/frequency)+2.2)) else: input = 0 return self.ask('AF' + str(input)) else: return 'wrong mode' filter = property(__get_filter, __set_filter) def __get_deadband(self): #deadband is the magnitude of the voltage (in mV) around the zero setpoint (both ways) the will be interpreted as zero if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': reply = self.ask('AD') return float(reply.partition('=')[2]) else: return 'wrong mode' def __set_deadband(self, voltage): if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': return self.ask('AD' + str(voltage)) else: return 'wrong mode' deadband = property(__get_deadband, __set_deadband) def __get_scaling(self): #sets the input type the motor is expecting. if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': setting = self.ask('AS') setting = float(setting.partition('=')[2]) if setting == 0: return 'Single Ended +-10' elif setting == 1: return 'Single Ended 0-10' elif setting == 2: return 'Single Ended +-5' elif setting == 3: return 'Single Ended 0-5' elif setting == 4: return 'Double Ended +-10' elif setting == 5: return 'Double Ended 0-10' elif setting == 6: return 'Double Ended +-5' elif setting == 7: return 'Double Ended 0-5' else: return 'wrong mode' def __set_scaling(self, setting): if self.mode == 'Analog Position' or self.mode == 'Analog Velocity': if setting == 'Single Ended +-10': input = 0 elif setting == 'Single Ended 0-10': input = 1 elif setting == 'Single Ended +-5': input = 2 elif setting == 'Single Ended 0-5': input = 3 elif setting == 'Double Ended +-10': input = 4 elif setting == 'Double Ended 0-10': input = 5 elif setting == 'Double Ended +-5': input = 6 elif setting == 'Double Ended 0-5': input = 7 return self.ask('AG' + str(input)) else: return 'wrong mode' scaling = property(__get_scaling, __set_scaling) #auxiliary commands def wait(self, time): #pauses execution of commands for time seconds (0.0-320s with 0.01 resolution). NOTE:ONLY ESTOP OVERRIDES! OTHER STOP COMMANDS WILL WAIT! command = 'WT'+ str(time) return self.ask(command) def monitor_string(self, string): #the motor will send this string back when this command is reached (for monitoring delays) self.write('SS' + str(string)) return self.read() #Setup Commands - These commands are normally set beforehand and left alone. Can be place in non-volitile momory in controller using save def save(self): return self.ask('SA') def motor_enable(self): #enable motor at start of use, after motor_disable, or after alarm has shut it down. return self.ask('ME') def motor_disable(self): #disables the motor. call motor enable to reactive return self.ask('MD') #emergency commands def e_brake(self): #stops all motion at maximum allowed acceleration (set by set_accel_max). Clears any unexecuted commands from buffer. stat = self.ask('SK') self.vel_gain = 0 if self.__acknowledge(stat): self.is_moving = False return stat def reset(self): #resets drive to startup parameters and leaves it in motor disabled. For accident recovery return self.ask('RE') @property def status(self): #check machine status status = self.ask('RS') status = status.partition('=')[2] status = list(status) states = { 'A' : 'Alarm', 'D' : 'Disabled', 'E' : 'Drive Fault', 'F' : 'Motor Moving', 'H' : 'Homing', 'J' : 'Jogging', 'M' : 'Motion in progress', 'P' : 'In position', 'R' : 'Ready', 'S' : 'Stopping a motion', 'T' : 'Wait Time', 'W' : 'Wait Input', } output = '' for i in status: if i.isdigit() or i == '.': continue else: state = states[i] if state == 'Alarm': state += ':' + alarm output += state + ', ' return output @property def alarm(self): #get alarm code. returns hex code if ret = hex or error string if ret = str. use alarm reset to clear error = self.ask('AL') error = error.partition('=')[2] #returns AL=HexCode, so dump off the string part of the return message = { '0000' : 'No Alarm', '0001' : 'Position Limit', '0002' : 'CCW Limit', '0004' : 'CW Limit', '0008' : 'Over Temp', '0010' : 'Internal Voltage', '0020' : 'Over Voltage', '0040' : 'Under Voltage', '0080' : 'Over Current', '0100' : 'Open Motor Winding', '0200' : 'Bad Encoder', '0400' : 'Comm Error', '0800' : 'Bad Flash', '1000' : 'No Move', '4000' : 'Blank Q Segment', } error = message[error] if error != 'Comm Error': return error else: return 'Comm Error:' + comm_error def alarm_reset(self): #resets alarm codes. if alarms are clear, Does not clear motor shutdown, use motor_enable. error = self.ask('AR') error = error.partition('=')[2] #returns AL=HexCode, so dump off the string part of the return if error == '': error = '0000' message = { '0000' : 'No Alarm', '0001' : 'Position Limit', '0002' : 'CCW Limit', '0004' : 'CW Limit', '0008' : 'Over Temp', '0010' : 'Internal Voltage', '0020' : 'Over Voltage', '0040' : 'Under Voltage', '0080' : 'Over Current', '0100' : 'Open Motor Winding', '0200' : 'Bad Encoder', '0400' : 'Comm Error', '0800' : 'Bad Flash', '1000' : 'No Move', '4000' : 'Blank Q Segment', } error = message[error] if error != 'Comm Error': return 'Alarm:' + error else: return 'Comm Error:' + comm_error @property def comm_error(self): #communication errors have there own syntax and output code = self.ask('CE') code = code.partition('=')[2] problem = { '0000' : 'No Error', '0001' : 'parity flag error', '0002' : 'framing error', '0004' : 'noise flag error', '0008' : 'overrun error', '0010' : 'Rx buffer full', '0020' : 'Tx buffer full', '0040' : 'bad SPI op-code', '0080' : 'Tx time-out', } return problem[code]
dursobr/Pythics
pythics/instruments/applied_motion_stepper.py
Python
gpl-3.0
20,942
[ "Brian" ]
50da430a364f4e5a4701cd071af0d8233786ca55a57d0e1b27b6529d22997cba
# ---------------------------------------------------------------------------- # Copyright 2015 Nervana Systems 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. # ---------------------------------------------------------------------------- """ This test compares the NEON recurrent layer against a numpy reference recurrent implementation and compares the NEON recurrent bprop deltas to the gradients estimated by finite differences. The numpy reference recurrent layer contains static methods for forward pass and backward pass. The test runs a SINGLE layer of recurrent layer and compare numerical values The reference model handles batch_size as 1 only The following are made sure to be the same in both recurrent layers - initial h values (all zeros) - initial W, b (ones or random values) - input data (random data matrix) - input error (random data matrix) - the data shape inside recurrent_ref is seq_len, input_size, 1 - the data shape inside recurrent (neon) is feature, seq_len * batch_size """ import itertools as itt import numpy as np from neon import NervanaObject from neon.initializers.initializer import Constant, Gaussian from neon.layers import Recurrent from neon.transforms import Tanh from tests.recurrent_ref import Recurrent as RefRecurrent from tests.utils import allclose_with_out def pytest_generate_tests(metafunc): bsz_rng = [1] if 'refgruargs' in metafunc.fixturenames: fargs = [] if metafunc.config.option.all: seq_rng = [2, 3, 4] inp_rng = [3, 5, 10] out_rng = [3, 5, 10] else: seq_rng = [3] inp_rng = [5] out_rng = [10] fargs = itt.product(seq_rng, inp_rng, out_rng, bsz_rng) metafunc.parametrize('refgruargs', fargs) if 'gradgruargs' in metafunc.fixturenames: fargs = [] if metafunc.config.option.all: seq_rng = [2, 3] inp_rng = [5, 10] out_rng = [3, 5, 10] else: seq_rng = [3] inp_rng = [5] out_rng = [10] fargs = itt.product(seq_rng, inp_rng, out_rng, bsz_rng) metafunc.parametrize('gradgruargs', fargs) def test_ref_compare_ones(backend_default, refgruargs): # run comparison with reference code # for all ones init seq_len, input_size, hidden_size, batch_size = refgruargs NervanaObject.be.bsz = NervanaObject.be.batch_size = batch_size check_rnn(seq_len, input_size, hidden_size, batch_size, Constant(val=1.0), [1.0, 0.0]) def test_ref_compare_rand(backend_default, refgruargs): # run comparison with reference code # for Gaussian random init seq_len, input_size, hidden_size, batch_size = refgruargs NervanaObject.be.bsz = NervanaObject.be.batch_size = batch_size check_rnn(seq_len, input_size, hidden_size, batch_size, Gaussian()) # compare neon RNN to reference RNN implementation def check_rnn(seq_len, input_size, hidden_size, batch_size, init_func, inp_moms=[0.0, 1.0]): # init_func is the initializer for the model params # inp_moms is the [ mean, std dev] of the random input input_shape = (input_size, seq_len * batch_size) output_shape = (hidden_size, seq_len * batch_size) NervanaObject.be.bsz = NervanaObject.be.batch_size = batch_size # ======== create models ======== # neon RNN rnn = Recurrent(hidden_size, init_func, activation=Tanh()) # reference numpy RNN rnn_ref = RefRecurrent(input_size, hidden_size) Wxh = rnn_ref.Wxh Whh = rnn_ref.Whh bh = rnn_ref.bh # ========= generate data ================= # generate random input tensor inp = np.random.rand(*input_shape)*inp_moms[1] + inp_moms[0] inpa = rnn.be.array(inp) # generate random deltas tensor deltas = np.random.randn(*output_shape) # the reference code expects these shapes: # input_shape: (seq_len, input_size, batch_size) # output_shape: (seq_len, hidden_size, batch_size) inp_ref = inp.copy().T.reshape( seq_len, batch_size, input_size).swapaxes(1, 2) deltas_ref = deltas.copy().T.reshape( seq_len, batch_size, hidden_size).swapaxes(1, 2) # ========= running models ========== # run neon fprop rnn.configure((input_size, seq_len)) rnn.prev_layer = True rnn.allocate() rnn.set_deltas([rnn.be.iobuf(rnn.in_shape)]) rnn.fprop(inpa) # weights are only initialized after doing fprop, so now # make ref weights and biases the same with neon model Wxh[:] = rnn.W_input.get() Whh[:] = rnn.W_recur.get() bh[:] = rnn.b.get() (dWxh_ref, dWhh_ref, db_ref, h_ref_list, dh_ref_list, d_out_ref) = rnn_ref.lossFun(inp_ref, deltas_ref) # now test the bprop rnn.bprop(rnn.be.array(deltas)) # grab the delta W from gradient buffer dWxh_neon = rnn.dW_input.get() dWhh_neon = rnn.dW_recur.get() db_neon = rnn.db.get() # comparing outputs print '====Verifying hidden states====' print allclose_with_out(rnn.outputs.get(), h_ref_list, rtol=0.0, atol=1.0e-5) print 'fprop is verified' print '====Verifying update on W and b ====' print 'dWxh' assert allclose_with_out(dWxh_neon, dWxh_ref, rtol=0.0, atol=1.0e-5) print 'dWhh' assert allclose_with_out(dWhh_neon, dWhh_ref, rtol=0.0, atol=1.0e-5) print '====Verifying update on bias====' print 'db' assert allclose_with_out(db_neon, db_ref, rtol=0.0, atol=1.0e-5) print 'bprop is verified' return def reset_rnn(rnn): # in order to run fprop multiple times # for the gradient check tests the # rnn internal variables need to be # cleared rnn.x = None rnn.xs = None # just in case rnn.outputs = None return def test_gradient_neon_gru(backend_default, gradgruargs): seq_len, input_size, hidden_size, batch_size = gradgruargs NervanaObject.be.bsz = NervanaObject.be.batch_size = batch_size gradient_check(seq_len, input_size, hidden_size, batch_size) def gradient_check(seq_len, input_size, hidden_size, batch_size, threshold=1.0e-3): # 'threshold' is the max fractional difference # between gradient estimate and # bprop deltas (def is 5%) # for a given set of layer parameters calculate # the gradients and compare to the derivatives # obtained with the bprop function. repeat this # for a range of perturbations and use the # perturbation size with the best results. # This is necessary for 32 bit computations min_max_err = -1.0 # minimum max error print 'Perturb mag, max grad diff' for pert_exp in range(-5, 0): # need to generate the scaling and input outside # having an issue with the random number generator # when these are generated inside the gradient_calc # function input_shape = (input_size, seq_len * batch_size) output_shape = (hidden_size, seq_len * batch_size) rand_scale = np.random.random(output_shape)*2.0 - 1.0 inp = np.random.randn(*input_shape) pert_mag = 10.0**pert_exp (grad_est, deltas) = gradient_calc(seq_len, input_size, hidden_size, batch_size, epsilon=pert_mag, rand_scale=rand_scale, inp_bl=inp) dd = np.max(np.abs(grad_est-deltas)) print '%e, %e' % (pert_mag, dd) if min_max_err < 0.0 or dd < min_max_err: min_max_err = dd # reset the seed so models are same in each run # allclose_with_out(grad_est,deltas, rtol=0.0, atol=0.0) NervanaObject.be.rng_reset() # check that best value of worst case error is less than threshold print 'Worst case error %e with perturbation %e' % (min_max_err, pert_mag) print 'Threshold %e' % (threshold) assert min_max_err < threshold def gradient_calc(seq_len, input_size, hidden_size, batch_size, epsilon=None, rand_scale=None, inp_bl=None): NervanaObject.be.bsz = NervanaObject.be.batch_size = batch_size input_shape = (input_size, seq_len * batch_size) # generate input if one is not given if inp_bl is None: inp_bl = np.random.randn(*input_shape) # neon rnn instance rnn = Recurrent(hidden_size, Gaussian(), activation=Tanh()) inpa = rnn.be.array(np.copy(inp_bl)) # run fprop on the baseline input rnn.configure((input_size, seq_len)) rnn.prev_layer = True rnn.allocate() rnn.set_deltas([rnn.be.iobuf(rnn.in_shape)]) out_bl = rnn.fprop(inpa).get() # random scaling/hash to generate fake loss if rand_scale is None: rand_scale = np.random.random(out_bl.shape) * 2.0 - 1.0 # loss function would be: # loss_bl = np.sum(rand_scale * out_bl) # run back prop with rand_scale as the errors # use copy to avoid any interactions deltas_neon = rnn.bprop(rnn.be.array(np.copy(rand_scale))).get() # add a perturbation to each input element grads_est = np.zeros(inpa.shape) inp_pert = inp_bl.copy() for pert_ind in range(inpa.size): save_val = inp_pert.flat[pert_ind] inp_pert.flat[pert_ind] = save_val + epsilon reset_rnn(rnn) rnn.allocate() out_pos = rnn.fprop(rnn.be.array(inp_pert)).get() inp_pert.flat[pert_ind] = save_val - epsilon reset_rnn(rnn) rnn.allocate() out_neg = rnn.fprop(rnn.be.array(inp_pert)).get() # calculate the loss with perturbations loss_pos = np.sum(rand_scale*out_pos) loss_neg = np.sum(rand_scale*out_neg) # compute the gradient estimate grad = 0.5*(loss_pos-loss_neg)/epsilon grads_est.flat[pert_ind] = grad # reset the perturbed input element inp_pert.flat[pert_ind] = save_val del rnn return (grads_est, deltas_neon)
coufon/neon-distributed
tests/test_recurrent.py
Python
apache-2.0
10,970
[ "Gaussian" ]
90c022c8436e40ad2702c9740053ca958afc7718b04cedd1f904f89f5623387c
#*********************************************************************** # This code is part of CMPL # # Copyright (C) 2007, 2008, 2009, 2010, 2011 # Thomas Schleiff - Halle(Saale), Germany and # Mike Steglich - Technical University of Applied Sciences # Wildau, Germany # # CMPL is a project of the Technical University of # Applied Sciences Wildau and the Institute for Operations Research # and Business Management at the Martin Luther University # Halle-Wittenberg. # Please visit the project homepage <www.coliop.org> # # CMPL 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. # # CMPL 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/>. # #********************************************************************** #!/usr/bin/python import sys def module_exists(module_name): try: __import__(module_name) except ImportError: return False else: return True def cleanBlanks(str): return str.replace('%', ' ').strip() if not module_exists('gurobipy'): print 'Cant find Gurobi' quit(-1) from gurobipy import * i = 1 for arg in sys.argv: #print "%i %s\n" % (i, arg) if i == 2: os.chdir(cleanBlanks(arg)) if i == 3: solutionPool = arg if i == 4: model = read(cleanBlanks(arg)) if i == 5: solFile = cleanBlanks(arg) if i > 5: s = 'model.params.%s' % arg exec(s) i += 1 nrOfSolutions = 0 def writeSol(): f.write(' <solution>\n') f.write(' <header') s = ' idx="%g"' % model.SolCount if model.status == GRB.status.OPTIMAL: s = s + ' value="%g"' % model.objVal if model.isMIP == 1: s = s + ' status="integer optimal solution"/>\n' else: s = s + ' status="optimal solution"/>\n' else: s = s + ' value="0"' s = s + ' status="Infeasible or unbounded model"/>\n' f.write(s) if model.status == GRB.status.OPTIMAL: f.write(' <variables>\n') i=0 for v in model.getVars(): if model.isMIP == 1: s = ' <variable idx="%g" activity="%e"/>\n' % (i,v.x) else: s = ' <variable idx="%g" activity="%e" marginal="%e"/>\n' % (i,v.x, v.RC) f.write(s) i=i+1 f.write(' </variables>\n') f.write(' <constraints>\n') i=0 for c in model.getConstrs(): if model.isMIP == 1: s = ' <constraint idx="%g" activity="%e"/>\n' % (i,c.RHS-c.Slack) else: s = ' <constraint idx="%g" activity="%e" marginal="%e"/>\n' % (i,c.RHS-c.Slack, c.Pi) f.write(s) i=i+1 f.write(' </constraints>\n') f.write(' </solution>\n') def mycallback(model, where): if solutionPool == "1": if where == GRB.callback.MIPSOL: f.write(' <solution>\n') f.write(' <header') s = ' idx="%g"' % int(model.cbGet(GRB.callback.MIPSOL_SOLCNT)) s = s + ' value="%g"' % model.cbGet(GRB.callback.MIPSOL_OBJ) s = s + ' status="integer feasible solution"/>\n' f.write(s) f.write(' <variables>\n') #print model.cbGetSolution(model.getVars()) vList = model.cbGetSolution(model.getVars()) i=0 for v in vList: s = ' <variable idx="%g" activity="%e"/>\n' % (i,v) f.write(s) i=i+1 f.write(' </variables>\n') f.write(' </solution>\n') f = open(solFile, 'w') f.write('<?xml version = "1.0" encoding="UTF-8" standalone="yes"?>\n') f.write('<CmplGurobiSolutions>\n') model.optimize(mycallback) print 'Write solution' nrOfSolutions = nrOfSolutions + 1 writeSol() f.write('</CmplGurobiSolutions>') f.close() print '...done'
Mangara/ArboralExplorer
lib/Cmpl/bin/gurobiCmpl.py
Python
apache-2.0
3,962
[ "VisIt" ]
df1209634e0194b45b01181aebd7161354a1f46142273f47fc4ba9f1783da729
# Author: Suyog Dutt Jain <suyog.jain@aero.iitb.ac.in> # Prabhu Ramachandran <prabhu_r@users.sf.net> # Copyright (c) 2008, Enthought, Inc. # License: BSD Style. # Standard library imports. from os.path import abspath from StringIO import StringIO import copy import numpy import unittest import datasets # Local imports. from mayavi.core.null_engine import NullEngine # Enthought library imports from mayavi.sources.vtk_data_source import VTKDataSource from mayavi.modules.outline import Outline from mayavi.modules.iso_surface import IsoSurface from mayavi.modules.contour_grid_plane import ContourGridPlane from mayavi.modules.scalar_cut_plane import ScalarCutPlane class TestContour(unittest.TestCase): def setUp(self): """Initial setting up of test fixture, automatically called by TestCase before any other test method is invoked""" e = NullEngine() # Uncomment to see visualization for debugging etc. #e = Engine() e.start() e.new_scene() self.e=e sgrid=datasets.generateStructuredGrid() src = VTKDataSource(data = sgrid) e.add_source(src) # Create an outline for the data. o = Outline() e.add_module(o) # Create one ContourGridPlane normal to the 'x' axis. cgp1 = ContourGridPlane() e.add_module(cgp1) # Set the position to the middle of the data. cgp1.grid_plane.position = 15 # Another with filled contours normal to 'y' axis. cgp2 = ContourGridPlane() cgp2.contour.filled_contours = True # Set the axis and position to the middle of the data. cgp2.grid_plane.axis = 'y' cgp2.grid_plane.position = 15 e.add_module(cgp2) # An isosurface module. iso = IsoSurface(compute_normals=True) e.add_module(iso) iso.contour.contours = [5] # An interactive scalar cut plane. cp = ScalarCutPlane() e.add_module(cp) ip = cp.implicit_plane ip.normal = 0,0,1 ip.origin = 0.5, 0.5, 1.0 # Since this is running offscreen this seems necessary. ip.widget.origin = 0.5, 0.5, 1.0 ip.widget.enabled = False self.scene = e.current_scene self.cgp2=cgp2 self.iso=iso self.cp=cp return def tearDown(self): """For necessary clean up, automatically called by TestCase after the test methods have been invoked""" self.e.stop() return def check(self): """Do the actual testing.""" scene = self.scene src = scene.children[0] mm = src.children[0] cgp1 = mm.children[1] self.assertEqual(cgp1.grid_plane.position,15) cgp2 = mm.children[2] self.assertEqual(cgp2.contour.filled_contours,True) self.assertEqual(cgp2.grid_plane.axis, 'y') self.assertEqual(cgp2.grid_plane.position,15) iso = mm.children[3] ctr = iso.contour.contours self.assertEqual(iso.compute_normals,True) self.assertEqual(ctr, [5.0]) rng = iso.actor.mapper.input.point_data.scalars.range self.assertEqual(rng[0],5.0) self.assertEqual(rng[1],5.0) cp = mm.children[4] ip = cp.implicit_plane self.assertAlmostEqual(numpy.sum(ip.normal - (0,0,1)) , 1e-16) self.assertAlmostEqual(numpy.sum(ip.origin - (0.5, 0.5, 1.0)), 0.0) self.assertEqual(ip.widget.enabled,False) def test_contour(self): "Test if the test fixture works" #Now test. self.check() #from mayavi.tools.show import show #show() def test_components_changed(self): """Test if the modules respond correctly when the components are changed.""" cgp2=self.cgp2 cp =self.cp iso =self.iso ctr = cgp2.contour cgp2.contour = ctr.__class__() cgp2.contour = ctr cgp2.actor = cgp2.actor.__class__() iso.contour = iso.contour.__class__() iso.contour.contours = [5.0] iso.actor = iso.actor.__class__() iso.normals = iso.normals.__class__() ip = cp.implicit_plane cp.implicit_plane = cp.implicit_plane.__class__() cp.implicit_plane = ip ip.widget.enabled = False cp.contour = cp.contour.__class__() cp.cutter = cp.cutter.__class__() cp.actor = cp.actor.__class__() # Now check. self.check() def test_save_and_restore(self): """Test if saving a visualization and restoring it works.""" engine = self.e scene = self.scene # Save visualization. f = StringIO() f.name = abspath('test.mv2') # We simulate a file. engine.save_visualization(f) f.seek(0) # So we can read this saved data. # Remove existing scene. engine.close_scene(scene) # Load visualization engine.load_visualization(f) self.scene = engine.current_scene self.check() def test_deepcopied(self): """Test if the MayaVi2 visualization can be deep-copied.""" ############################################################ # Test if the MayaVi2 visualization can be deep-copied. # Pop the source object. s = self.scene source = s.children.pop() # Add it back to see if that works without error. s.children.append(source) cp = source.children[0].children[-1] cp.implicit_plane.widget.enabled = False self.check() # Now deepcopy the source and replace the existing one with # the copy. This basically simulates cutting/copying the # object from the UI via the right-click menu on the tree # view, and pasting the copy back. source1 = copy.deepcopy(source) s.children[0] = source1 cp = source1.children[0].children[-1] cp.implicit_plane.widget.enabled = False self.check() if __name__ == '__main__': unittest.main()
liulion/mayavi
mayavi/tests/test_contour.py
Python
bsd-3-clause
6,068
[ "Mayavi" ]
a87ccdf9bee0cf419f0707c2f99884bc863d68b51151b9f959c926996f1519b3
""" Provides factory methods to assemble the Galaxy web application """ import logging, atexit import os, os.path, sys from inspect import isclass from paste.request import parse_formvars from paste.util import import_string from paste import httpexceptions import pkg_resources from galaxy.util import asbool import config import galaxy.model import galaxy.model.mapping import galaxy.web.framework log = logging.getLogger( __name__ ) class ReportsWebApplication( galaxy.web.framework.webapp.WebApplication ): pass def add_ui_controllers( webapp, app ): """ Search for controllers in the 'galaxy.webapps.controllers' module and add them to the webapp. """ from galaxy.web.base.controller import BaseUIController from galaxy.web.base.controller import ControllerUnavailable import galaxy.webapps.reports.controllers controller_dir = galaxy.webapps.reports.controllers.__path__[0] for fname in os.listdir( controller_dir ): if not fname.startswith( "_" ) and fname.endswith( ".py" ): name = fname[:-3] module_name = "galaxy.webapps.reports.controllers." + name module = __import__( module_name ) for comp in module_name.split( "." )[1:]: module = getattr( module, comp ) # Look for a controller inside the modules for key in dir( module ): T = getattr( module, key ) if isclass( T ) and T is not BaseUIController and issubclass( T, BaseUIController ): webapp.add_ui_controller( name, T( app ) ) def app_factory( global_conf, **kwargs ): """Return a wsgi application serving the root object""" # Create the Galaxy application unless passed in if 'app' in kwargs: app = kwargs.pop( 'app' ) else: from galaxy.webapps.reports.app import UniverseApplication app = UniverseApplication( global_conf = global_conf, **kwargs ) atexit.register( app.shutdown ) # Create the universe WSGI application webapp = ReportsWebApplication( app, session_cookie='galaxyreportssession', name="reports" ) add_ui_controllers( webapp, app ) # These two routes handle our simple needs at the moment webapp.add_route( '/:controller/:action', controller="root", action='index' ) webapp.add_route( '/:action', controller='root', action='index' ) webapp.finalize_config() # Wrap the webapp in some useful middleware if kwargs.get( 'middleware', True ): webapp = wrap_in_middleware( webapp, global_conf, **kwargs ) if kwargs.get( 'static_enabled', True ): webapp = wrap_in_static( webapp, global_conf, **kwargs ) # Close any pooled database connections before forking try: galaxy.model.mapping.metadata.engine.connection_provider._pool.dispose() except: pass # Return return webapp def wrap_in_middleware( app, global_conf, **local_conf ): """Based on the configuration wrap `app` in a set of common and useful middleware.""" # Merge the global and local configurations conf = global_conf.copy() conf.update(local_conf) debug = asbool( conf.get( 'debug', False ) ) # First put into place httpexceptions, which must be most closely # wrapped around the application (it can interact poorly with # other middleware): app = httpexceptions.make_middleware( app, conf ) log.debug( "Enabling 'httpexceptions' middleware" ) # The recursive middleware allows for including requests in other # requests or forwarding of requests, all on the server side. if asbool(conf.get('use_recursive', True)): from paste import recursive app = recursive.RecursiveMiddleware( app, conf ) log.debug( "Enabling 'recursive' middleware" ) # Various debug middleware that can only be turned on if the debug # flag is set, either because they are insecure or greatly hurt # performance if debug: # Middleware to check for WSGI compliance if asbool( conf.get( 'use_lint', True ) ): from paste import lint app = lint.make_middleware( app, conf ) log.debug( "Enabling 'lint' middleware" ) # Middleware to run the python profiler on each request if asbool( conf.get( 'use_profile', False ) ): import profile app = profile.ProfileMiddleware( app, conf ) log.debug( "Enabling 'profile' middleware" ) # Middleware that intercepts print statements and shows them on the # returned page if asbool( conf.get( 'use_printdebug', True ) ): from paste.debug import prints app = prints.PrintDebugMiddleware( app, conf ) log.debug( "Enabling 'print debug' middleware" ) if debug and asbool( conf.get( 'use_interactive', False ) ): # Interactive exception debugging, scary dangerous if publicly # accessible, if not enabled we'll use the regular error printing # middleware. pkg_resources.require( "WebError" ) from weberror import evalexception app = evalexception.EvalException( app, conf, templating_formatters=build_template_error_formatters() ) log.debug( "Enabling 'eval exceptions' middleware" ) else: # Not in interactive debug mode, just use the regular error middleware from paste.exceptions import errormiddleware app = errormiddleware.ErrorMiddleware( app, conf ) log.debug( "Enabling 'error' middleware" ) # Transaction logging (apache access.log style) if asbool( conf.get( 'use_translogger', True ) ): from paste.translogger import TransLogger app = TransLogger( app ) log.debug( "Enabling 'trans logger' middleware" ) # X-Forwarded-Host handling from galaxy.web.framework.middleware.xforwardedhost import XForwardedHostMiddleware app = XForwardedHostMiddleware( app ) log.debug( "Enabling 'x-forwarded-host' middleware" ) return app def wrap_in_static( app, global_conf, **local_conf ): from paste.urlmap import URLMap from galaxy.web.framework.middleware.static import CacheableStaticURLParser as Static urlmap = URLMap() # Merge the global and local configurations conf = global_conf.copy() conf.update(local_conf) # Get cache time in seconds cache_time = conf.get( "static_cache_time", None ) if cache_time is not None: cache_time = int( cache_time ) # Send to dynamic app by default urlmap["/"] = app # Define static mappings from config urlmap["/static"] = Static( conf.get( "static_dir" ), cache_time ) urlmap["/images"] = Static( conf.get( "static_images_dir" ), cache_time ) urlmap["/static/scripts"] = Static( conf.get( "static_scripts_dir" ), cache_time ) urlmap["/static/style"] = Static( conf.get( "static_style_dir" ), cache_time ) urlmap["/favicon.ico"] = Static( conf.get( "static_favicon_dir" ), cache_time ) # URL mapper becomes the root webapp return urlmap def build_template_error_formatters(): """ Build a list of template error formatters for WebError. When an error occurs, WebError pass the exception to each function in this list until one returns a value, which will be displayed on the error page. """ formatters = [] # Formatter for mako import mako.exceptions def mako_html_data( exc_value ): if isinstance( exc_value, ( mako.exceptions.CompileException, mako.exceptions.SyntaxException ) ): return mako.exceptions.html_error_template().render( full=False, css=False ) if isinstance( exc_value, AttributeError ) and exc_value.args[0].startswith( "'Undefined' object has no attribute" ): return mako.exceptions.html_error_template().render( full=False, css=False ) formatters.append( mako_html_data ) return formatters
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/webapps/reports/buildapp.py
Python
gpl-3.0
7,937
[ "Galaxy" ]
07f44dea496b623512f3860c4473fb173d017c456beb7ac7a1eadf1f6238cd9e
# Copyright 2014 Google Inc. 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. """The 'gcloud test android run' command.""" import datetime import random import string from googlecloudsdk.api_lib.test import arg_util from googlecloudsdk.api_lib.test import ctrl_c_handler from googlecloudsdk.api_lib.test import exit_code from googlecloudsdk.api_lib.test import history_picker from googlecloudsdk.api_lib.test import matrix_ops from googlecloudsdk.api_lib.test import results_bucket from googlecloudsdk.api_lib.test import results_summary from googlecloudsdk.api_lib.test import tool_results from googlecloudsdk.api_lib.test import util from googlecloudsdk.api_lib.test.android import arg_manager from googlecloudsdk.api_lib.test.android import matrix_creator from googlecloudsdk.calliope import base from googlecloudsdk.core import log @base.UnicodeIsSupported @base.ReleaseTracks(base.ReleaseTrack.ALPHA, base.ReleaseTrack.BETA) class Run(base.ListCommand): """Invoke a test in Firebase Test Lab for Android and view test results.""" detailed_help = { 'DESCRIPTION': """\ *{command}* invokes and monitors tests in Firebase Test Lab for Android. Three main types of tests are currently supported: - *robo*: runs a smart, automated exploration of the activities in your Android app which records any installation failures or crashes and builds an activity map with associated screenshots and video. - *instrumentation*: runs automated unit or integration tests written using a testing framework. Firebase Test Lab for Android currently supports the Espresso, Robotium and UI Automator 2.0 testing frameworks. The type of test to run can be specified with the *--type* flag, although the type can often be inferred from other flags. Specifically, if the *--test* flag is present, the test *--type* will default to `instrumentation`. If *--test* is not present, then *--type* defaults to `robo`. All arguments for *{command}* may be specified on the command line and/or within an argument file. Run *$ gcloud topic arg-files* for more information about argument files. """, 'EXAMPLES': """\ To invoke a robo test lasting 100 seconds against the default device environment, run: $ {command} --app APP_APK --timeout 100s To invoke a robo test against a virtual Nexus9 device in landscape orientation, run: $ {command} --app APP_APK --device-ids Nexus9 --orientations landscape To invoke an instrumentation test (Espresso or Robotium) against a physical Nexus 4 device (DEVICE_ID: mako) which is running Android API level 18 in French, run: $ {command} --app APP_APK --test TEST_APK --device-ids mako --os-version-ids 18 --locales fr --orientations portrait To run the same test as above using short flags, run: $ {command} --app APP_APK --test TEST_APK -d mako -v 18 -l fr -o portrait To run a series of 5-minute robo tests against a comprehensive matrix of virtual and physical devices, OS versions and locales, run: $ {command} --app APP_APK --timeout 5m --device-ids mako,Nexus5,Nexus6,g3,zeroflte --os-version-ids 17,18,19,21,22 --locales de,en_US,en_GB,es,fr,it,ru,zh To run an instrumentation test against the default test environment, but using a specific Google Cloud Storage bucket to hold the raw test results and specifying the name under which the history of your tests will be collected and displayed in the Google Developers Console, run: $ {command} --app APP_APK --test TEST_APK --results-bucket excelsior-app-results-bucket --results-history-name 'Excelsior App Test History' All test arguments for a given test may alternatively be stored in an argument group within a YAML-formatted argument file. The _ARG_FILE_ may contain one or more named argument groups, and argument groups may be combined using the `include:` attribute (Run *$ gcloud topic arg-files* for more information). The ARG_FILE can easily be shared with colleagues or placed under source control to ensure consistent test executions. To run a test using arguments loaded from an ARG_FILE named *excelsior_args*, which contains an argument group named *robo-args:*, use the following syntax: $ {command} path/to/excelsior_args:robo-args """, } @staticmethod def Args(parser): """Method called by Calliope to register flags for this command. Args: parser: An argparse parser used to add arguments that follow this command in the CLI. Positional arguments are allowed. """ arg_util.AddCommonTestRunArgs(parser) arg_util.AddMatrixArgs(parser) arg_util.AddAndroidTestArgs(parser) def Run(self, args): """Run the 'gcloud test run' command to invoke a test in Firebase Test Lab. Args: args: an argparse namespace. All the arguments that were provided to this command invocation (i.e. group and command arguments combined). Returns: One of: - a list of TestOutcome tuples (if ToolResults are available). - a URL string pointing to the user's results in ToolResults or GCS. """ device_catalog = util.GetAndroidCatalog(self.context) arg_manager.AndroidArgsManager(device_catalog).Prepare(args) project = util.GetProject() tr_client = self.context['toolresults_client'] tr_messages = self.context['toolresults_messages'] storage_client = self.context['storage_client'] bucket_ops = results_bucket.ResultsBucketOps( project, args.results_bucket, _UniqueGcsObjectName(), tr_client, tr_messages, storage_client) bucket_ops.UploadFileToGcs(args.app) if args.test: bucket_ops.UploadFileToGcs(args.test) for obb_file in (args.obb_files or []): bucket_ops.UploadFileToGcs(obb_file) bucket_ops.LogGcsResultsUrl() tr_history_picker = history_picker.ToolResultsHistoryPicker( project, tr_client, tr_messages) history_name = PickHistoryName(args) history_id = tr_history_picker.GetToolResultsHistoryId(history_name) matrix = matrix_creator.CreateMatrix( args, self.context, history_id, bucket_ops.gcs_results_root) monitor = matrix_ops.MatrixMonitor( matrix.testMatrixId, args.type, self.context) with ctrl_c_handler.CancellableTestSection(monitor): supported_executions = monitor.HandleUnsupportedExecutions(matrix) tr_ids = tool_results.GetToolResultsIds(matrix, monitor) url = tool_results.CreateToolResultsUiUrl(project, tr_ids) log.status.Print('') if args.async: return url log.status.Print('Test results will be streamed to [{0}].'.format(url)) # If we have exactly one testExecution, show detailed progress info. if len(supported_executions) == 1: monitor.MonitorTestExecutionProgress(supported_executions[0].id) else: monitor.MonitorTestMatrixProgress() log.status.Print('\nMore details are available at [{0}].'.format(url)) # Fetch the per-dimension test outcomes list, and also the "rolled-up" # matrix outcome from the Tool Results service. summary_fetcher = results_summary.ToolResultsSummaryFetcher( project, tr_client, tr_messages, tr_ids) self.exit_code = exit_code.ExitCodeFromRollupOutcome( summary_fetcher.FetchMatrixRollupOutcome(), tr_messages.Outcome.SummaryValueValuesEnum) return summary_fetcher.CreateMatrixOutcomeSummary() def Collection(self): """Choose the default resource collection key used to format test outcomes. Returns: A collection string used as a key to select the default ResourceInfo from core.resources.resource_registry.RESOURCE_REGISTRY. """ log.debug('gcloud test command exit_code is: {0}'.format(self.exit_code)) return 'test.android.run.outcomes' def _UniqueGcsObjectName(): """Create a unique GCS object name to hold test results. The Testing back-end needs a unique GCS object name within the results bucket to prevent race conditions while processing test results. The gcloud client uses the current time down to the microsecond in ISO format plus a random 4-letter suffix. The format is: "YYYY-MM-DD_hh:mm:ss.ssssss_rrrr". Returns: A string with the unique GCS object name. """ return '{0}_{1}'.format(datetime.datetime.now().isoformat('_'), ''.join(random.sample(string.letters, 4))) def PickHistoryName(args): """Returns the results history name to use to look up a history ID. The history ID corresponds to a history name. If the user provides their own history name, we use that to look up the history ID; If not, but the user provides an app-package name, we use the app-package name with ' (gcloud)' appended as the history name. Otherwise, we punt and let the Testing service determine the appropriate history ID to publish to. Args: args: an argparse namespace. All the arguments that were provided to the command invocation (i.e. group and command arguments combined). Returns: Either a string containing a history name derived from user-supplied data, or None if we lack the required information. """ if args.results_history_name: return args.results_history_name if args.app_package: return args.app_package + ' (gcloud)' return None
Sorsly/subtle
google-cloud-sdk/lib/surface/test/android/run.py
Python
mit
10,247
[ "ESPResSo" ]
9e315540bb2aadaa47025b049f01ea2e30000bf349dcdb06ef5f91ec32774a16
#!/usr/bin/env python extras = {} try: from setuptools import setup extras['zip_safe'] = False except ImportError: from distutils.core import setup setup(name='futures', version='3.0.3', description='Backport of the concurrent.futures package from Python 3.2', author='Brian Quinlan', author_email='brian@sweetapp.com', maintainer='Alex Gronholm', maintainer_email='alex.gronholm+pypi@nextday.fi', url='https://github.com/agronholm/pythonfutures', packages=['concurrent', 'concurrent.futures'], license='BSD', classifiers=['License :: OSI Approved :: BSD License', 'Development Status :: 5 - Production/Stable', 'Intended Audience :: Developers', 'Programming Language :: Python :: 2.6', 'Programming Language :: Python :: 2.7', 'Programming Language :: Python :: 2 :: Only'], **extras )
harlowja/pythonfutures
setup.py
Python
bsd-2-clause
969
[ "Brian" ]
f1e9b0c2c783d4a7668ec7d060e9dc71980fa8706fb9358db39033c7299d2afc
"""Unit test for roman82.py 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: 1.3 $" __date__ = "$Date: 2004/05/05 21:57:20 $" __copyright__ = "Copyright (c) 2001 Mark Pilgrim" __license__ = "Python" import roman82 import unittest class KnownValues(unittest.TestCase): knownValues = ( (1, 'I'), (2, 'II'), (3, 'III'), (4, 'IV'), (5, 'V'), (6, 'VI'), (7, 'VII'), (8, 'VIII'), (9, 'IX'), (10, 'X'), (50, 'L'), (100, 'C'), (500, 'D'), (1000, 'M'), (31, 'XXXI'), (148, 'CXLVIII'), (294, 'CCXCIV'), (312, 'CCCXII'), (421, 'CDXXI'), (528, 'DXXVIII'), (621, 'DCXXI'), (782, 'DCCLXXXII'), (870, 'DCCCLXX'), (941, 'CMXLI'), (1043, 'MXLIII'), (1110, 'MCX'), (1226, 'MCCXXVI'), (1301, 'MCCCI'), (1485, 'MCDLXXXV'), (1509, 'MDIX'), (1607, 'MDCVII'), (1754, 'MDCCLIV'), (1832, 'MDCCCXXXII'), (1993, 'MCMXCIII'), (2074, 'MMLXXIV'), (2152, 'MMCLII'), (2212, 'MMCCXII'), (2343, 'MMCCCXLIII'), (2499, 'MMCDXCIX'), (2574, 'MMDLXXIV'), (2646, 'MMDCXLVI'), (2723, 'MMDCCXXIII'), (2892, 'MMDCCCXCII'), (2975, 'MMCMLXXV'), (3051, 'MMMLI'), (3185, 'MMMCLXXXV'), (3250, 'MMMCCL'), (3313, 'MMMCCCXIII'), (3408, 'MMMCDVIII'), (3501, 'MMMDI'), (3610, 'MMMDCX'), (3743, 'MMMDCCXLIII'), (3844, 'MMMDCCCXLIV'), (3888, 'MMMDCCCLXXXVIII'), (3940, 'MMMCMXL'), (3999, 'MMMCMXCIX'), (4000, 'MMMM'), (4500, 'MMMMD'), (4888, 'MMMMDCCCLXXXVIII'), (4999, 'MMMMCMXCIX')) def testToRomanKnownValues(self): """toRoman should give known result with known input""" for integer, numeral in self.knownValues: result = roman82.toRoman(integer) self.assertEqual(numeral, result) def testFromRomanKnownValues(self): """fromRoman should give known result with known input""" for integer, numeral in self.knownValues: result = roman82.fromRoman(numeral) self.assertEqual(integer, result) class ToRomanBadInput(unittest.TestCase): def testTooLarge(self): """toRoman should fail with large input""" self.assertRaises(roman82.OutOfRangeError, roman82.toRoman, 5000) def testZero(self): """toRoman should fail with 0 input""" self.assertRaises(roman82.OutOfRangeError, roman82.toRoman, 0) def testNegative(self): """toRoman should fail with negative input""" self.assertRaises(roman82.OutOfRangeError, roman82.toRoman, -1) def testNonInteger(self): """toRoman should fail with non-integer input""" self.assertRaises(roman82.NotIntegerError, roman82.toRoman, 0.5) class FromRomanBadInput(unittest.TestCase): def testTooManyRepeatedNumerals(self): """fromRoman should fail with too many repeated numerals""" for s in ('MMMMM', 'DD', 'CCCC', 'LL', 'XXXX', 'VV', 'IIII'): self.assertRaises(roman82.InvalidRomanNumeralError, roman82.fromRoman, s) def testRepeatedPairs(self): """fromRoman should fail with repeated pairs of numerals""" for s in ('CMCM', 'CDCD', 'XCXC', 'XLXL', 'IXIX', 'IVIV'): self.assertRaises(roman82.InvalidRomanNumeralError, roman82.fromRoman, s) def testMalformedAntecedent(self): """fromRoman should fail with malformed antecedents""" for s in ('IIMXCC', 'VX', 'DCM', 'CMM', 'IXIV', 'MCMC', 'XCX', 'IVI', 'LM', 'LD', 'LC'): self.assertRaises(roman82.InvalidRomanNumeralError, roman82.fromRoman, s) def testBlank(self): """fromRoman should fail with blank string""" self.assertRaises(roman82.InvalidRomanNumeralError, roman82.fromRoman, "") class SanityCheck(unittest.TestCase): def testSanity(self): """fromRoman(toRoman(n))==n for all n""" for integer in range(1, 5000): numeral = roman82.toRoman(integer) result = roman82.fromRoman(numeral) self.assertEqual(integer, result) class CaseCheck(unittest.TestCase): def testToRomanCase(self): """toRoman should always return uppercase""" for integer in range(1, 5000): numeral = roman82.toRoman(integer) self.assertEqual(numeral, numeral.upper()) def testFromRomanCase(self): """fromRoman should only accept uppercase input""" for integer in range(1, 5000): numeral = roman82.toRoman(integer) roman82.fromRoman(numeral.upper()) self.assertRaises(roman82.InvalidRomanNumeralError, roman82.fromRoman, numeral.lower()) if __name__ == "__main__": unittest.main()
tapomayukh/projects_in_python
sandbox_tapo/src/refs/diveintopython-pdf-5.4/diveintopython-5.4/py/roman/stage8/romantest82.py
Python
mit
5,848
[ "VisIt" ]
d8a6b407f465400370d88a14d5e2ee064fac83c4d15cf3184b5b83e3a159f29d
""" Newick format (:mod:`skbio.io.newick`) ====================================== .. currentmodule:: skbio.io.newick Newick format (``newick``) stores spanning-trees with weighted edges and node names in a minimal file format [1]_. This is useful for representing phylogenetic trees and taxonomies. Newick was created as an informal specification on June 26, 1986 [2]_. Format Support -------------- **Has Sniffer: Yes** +------+------+---------------------------------------------------------------+ |Reader|Writer| Object Class | +======+======+===============================================================+ |Yes |Yes |:mod:`skbio.tree.TreeNode` | +------+------+---------------------------------------------------------------+ Format Specification -------------------- A Newick file represents a tree using the following grammar. See below for an explanation of the format in plain English. Formal Grammar ^^^^^^^^^^^^^^ .. code-block:: none NEWICK ==> NODE ; NODE ==> FORMATTING SUBTREE FORMATTING NODE_INFO FORMATTING SUBTREE ==> ( CHILDREN ) | null NODE_INFO ==> LABEL | LENGTH | LABEL FORMATTING LENGTH | null FORMATTING ==> [ COMMENT_CHARS ] | whitespace | null CHILDREN ==> NODE | CHILDREN , NODE LABEL ==> ' ALL_CHARS ' | SAFE_CHARS LENGTH ==> : FORMATTING NUMBER COMMENT_CHARS ==> any ALL_CHARS ==> any SAFE_CHARS ==> any except: ,;:()[] and whitespace NUMBER ==> a decimal or integer .. note:: The ``_`` character inside of SAFE_CHARS will be converted to a blank space in ``skbio.tree.TreeNode`` and vice versa. ``'`` is considered the escape character. To escape ``'`` use a preceding ``'``. The implementation of newick in scikit-bio allows nested comments. To escape ``[`` or ``]`` from within COMMENT_CHARS, use a preceding ``'``. Explanation ^^^^^^^^^^^ The Newick format defines a tree by creating a minimal representation of nodes and their relationships to each other. Basic Symbols ~~~~~~~~~~~~~ There are several symbols which define nodes, the first of which is the semi-colon (``;``). The semi-colon creates a root node to its left. Recall that there can only be one root in a tree. The next symbol is the comma (``,``), which creates a node to its right. However, these two alone are not enough. For example imagine the following string: ``, , , ;``. It is evident that there is a root, but the other 3 nodes, defined by commas, have no relationship. For this reason, it is not a valid Newick string to have more than one node at the root level. To provide these relationships, there is another structure: paired parenthesis (``( )``). These are inserted at the location of an existing node and give it the ability to have children. Placing ``( )`` in a node's location will create a child inside the parenthesis on the left-most inner edge. Application of Rules ~~~~~~~~~~~~~~~~~~~~ Adding a comma within the parenthesis will create two children: ``( , )`` (also known as a bifurcating node). Notice that only one comma is needed because the parenthesis have already created a child. Adding more commas will create more children who are siblings to each other. For example, writing ``( , , , )`` will create a multifurcating node with 4 child nodes who are siblings to each other. The notation for a root can be used to create a complete tree. The ``;`` will create a root node where parenthesis can be placed: ``( );``. Adding commas will create more children: ``( , );``. These rules can be applied recursively ad. infinitum: ``(( , ), ( , ));``. Adding Node Information ~~~~~~~~~~~~~~~~~~~~~~~ Information about a node can be added to improve the clarity and meaning of a tree. Each node may have a label and/or a length (to the parent). Newick always places the node information at the right-most edge of a node's position. Starting with labels, ``(( , ), ( , ));`` would become ``((D, E)B, (F, G)C)A;``. There is a named root ``A`` and the root's children (from left to right) are ``B`` and ``C``. ``B`` has the children ``D`` and ``E``, and ``C`` has the children ``F`` and ``G``. Length represents the distance (or weight of the edge) that connects a node to its parent. This must be a decimal or integer. As an example, suppose ``D`` is rather estranged from ``B``, and ``E`` is very close. That can be written as: ``((D:10, E:0.5)B, (F, G)C)A;``. Notice that the colon (``:``) separates the label from the length. If the length is provided but the label is omitted, a colon must still precede the length (``(:0.25,:0.5):0.0;``). Without this, the length would be interpreted as a label (which happens to be a number). .. note:: Internally scikit-bio will cast a length to ``float`` which technically means that even exponent strings (``1e-3``) are supported) Advanced Label and Length Rules ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ More characters can be used to create more descriptive labels. When creating a label there are some rules that must be considered due to limitations in the Newick format. The following characters are not allowed within a standard label: parenthesis, commas, square-brackets, colon, semi-colon, and whitespace. These characters are also disallowed from occurring within a length, which has a much stricter format: decimal or integer. Many of these characters are symbols which define the structure of a Newick tree and are thus disallowed for obvious reasons. The symbols not yet mentioned are square-brackets (``[ ]``) and whitespace (space, tab, and newline). What if these characters are needed within a label? In the simple case of spaces, an underscore (``_``) will be translated as a space on read and vice versa on write. What if a literal underscore or any of the others mentioned are needed? A label can be escaped (meaning that its contents are understood as regular text) using single-quotes (``'``). When a label is surrounded by single-quotes, any character is permissible. If a single-quote is needed inside of an escaped label or anywhere else, it can be escaped with another single-quote. For example, ``A_1`` is written ``'A_1'`` and ``'A'_1`` would be ``'''A''_1'``. Inline Comments ~~~~~~~~~~~~~~~ Square-brackets define a comment, which are the least commonly used part of the Newick format. Comments are not included in the generated objects and exist only as human readable text ignored by the parser. The implementation in scikit-bio allows for nested comments (``[comment [nested]]``). Unpaired square-brackets can be escaped with a single-quote preceding the bracket when inside an existing comment. (This is identical to escaping a single-quote). The single-quote has the highest operator precedence, so there is no need to worry about starting a comment from within a properly escaped label. Whitespace ~~~~~~~~~~ Whitespace is not allowed within any un-escaped label or in any length, but it is permitted anywhere else. Caveats ~~~~~~~ Newick cannot always provide a unique representation of any tree, in other words, the same tree can be written multiple ways. For example: ``(A, B);`` is isomorphic to ``(B, A);``. The implementation in scikit-bio maintains the given sibling order in its object representations. Newick has no representation of an unrooted tree. Some biological packages make the assumption that when a trifurcated root exists in an otherwise bifurcated tree that the tree must be unrooted. In scikit-bio, ``skbio.tree.TreeNode`` will always be rooted at the ``newick`` root (``;``). Format Parameters ----------------- The only supported format parameter is `convert_underscores`. This is `True` by default. When `False`, underscores found in unescaped labels will not be converted to spaces. This is useful when reading the output of an external program in which the underscores were not escaped. This parameter only affects `read` operations. It does not exist for `write` operations; they will always properly escape underscores. Examples -------- This is a simple Newick string. >>> from StringIO import StringIO >>> from skbio import read >>> from skbio.tree import TreeNode >>> f = StringIO(u"((D, E)B, (F, G)C)A;") >>> tree = read(f, format="newick", into=TreeNode) >>> f.close() >>> print(tree.ascii_art()) /-D /B-------| | \-E -A-------| | /-F \C-------| \-G This is a complex Newick string. >>> f = StringIO(u"[example](a:0.1, 'b_b''':0.2, (c:0.3, d_d:0.4)e:0.5)f:0.0;") >>> tree = read(f, format="newick", into=TreeNode) >>> f.close() >>> print(tree.ascii_art()) /-a | -f-------|--b_b' | | /-c \e-------| \-d d Notice that the node originally labeled ``d_d`` became ``d d``. Additionally ``'b_b'''`` became ``b_b'``. Note that the underscore was preserved in `b_b'`. References ---------- .. [1] http://evolution.genetics.washington.edu/phylip/newick_doc.html .. [2] http://evolution.genetics.washington.edu/phylip/newicktree.html """ # ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # ---------------------------------------------------------------------------- from __future__ import absolute_import, division, print_function from future.builtins import zip, range from skbio.io import (register_reader, register_writer, register_sniffer, NewickFormatError) from skbio.tree import TreeNode @register_sniffer("newick") def _newick_sniffer(fh): # Strategy: # The following conditions preclude a file from being newick: # * It is an empty file. # * There is whitespace inside of a label (handled by tokenizer) # * : is followed by anything that is an operator # * ( is not preceded immediately by , or another ( # * The parens are unablanced when ; is found. # If 100 tokens (or less if EOF occurs earlier) then it is probably # newick, or at least we can't prove it isn't. operators = set(",;:()") empty = True last_token = ',' indent = 0 try: # 100 tokens ought to be enough for anybody. for token, _ in zip(_tokenize_newick(fh), range(100)): if token not in operators: pass elif token == ',' and last_token != ':' and indent > 0: pass elif token == ':' and last_token != ':': pass elif token == ';' and last_token != ':' and indent == 0: pass elif token == ')' and last_token != ':': indent -= 1 elif token == '(' and (last_token == '(' or last_token == ','): indent += 1 else: raise NewickFormatError() last_token = token empty = False except NewickFormatError: return False, {} return not empty, {} @register_reader('newick', TreeNode) def _newick_to_tree_node(fh, convert_underscores=True): tree_stack = [] current_depth = 0 last_token = '' next_is_distance = False root = TreeNode() tree_stack.append((root, current_depth)) for token in _tokenize_newick(fh, convert_underscores=convert_underscores): # Check for a label if last_token not in '(,):': if not next_is_distance: tree_stack[-1][0].name = last_token if last_token else None else: next_is_distance = False # Check for a distance if token == ':': next_is_distance = True elif last_token == ':': try: tree_stack[-1][0].length = float(token) except ValueError: raise NewickFormatError("Could not read length as numeric type" ": %s." % token) elif token == '(': current_depth += 1 tree_stack.append((TreeNode(), current_depth)) elif token == ',': tree_stack.append((TreeNode(), current_depth)) elif token == ')': if len(tree_stack) < 2: raise NewickFormatError("Could not parse file as newick." " Parenthesis are unbalanced.") children = [] # Pop all nodes at this depth as they belong to the remaining # node on the top of the stack as children. while current_depth == tree_stack[-1][1]: node, _ = tree_stack.pop() children.insert(0, node) parent = tree_stack[-1][0] if parent.children: raise NewickFormatError("Could not parse file as newick." " Contains unnested children.") # This is much faster than TreeNode.extend for child in children: child.parent = parent parent.children = children current_depth -= 1 elif token == ';': if len(tree_stack) == 1: return root break last_token = token raise NewickFormatError("Could not parse file as newick." " `(Parenthesis)`, `'single-quotes'`," " `[comments]` may be unbalanced, or tree may be" " missing its root.") @register_writer("newick", TreeNode) def _tree_node_to_newick(obj, fh): operators = set(",:_;()[]") current_depth = 0 nodes_left = [(obj, 0)] while len(nodes_left) > 0: entry = nodes_left.pop() node, node_depth = entry if node.children and node_depth >= current_depth: fh.write('(') nodes_left.append(entry) nodes_left += ((child, node_depth + 1) for child in reversed(node.children)) current_depth = node_depth + 1 else: if node_depth < current_depth: fh.write(')') current_depth -= 1 # Note we don't check for None because there is no way to represent # an empty string as a label in Newick. Therefore, both None and '' # are considered to be the absence of a label. if node.name: escaped = node.name.replace("'", "''") if any(t in operators for t in node.name): fh.write("'") fh.write(escaped) fh.write("'") else: fh.write(escaped.replace(" ", "_")) if node.length is not None: fh.write(':') fh.write(str(node.length)) if nodes_left and nodes_left[-1][1] == current_depth: fh.write(',') fh.write(';\n') def _tokenize_newick(fh, convert_underscores=True): structure_tokens = set('(),;:') not_escaped = True label_start = False last_non_ws_char = '' last_char = '' comment_depth = 0 metadata_buffer = [] # Strategy: # We will iterate by character. # Comments in newick are defined as: # [This is a comment] # Nested comments are allowed. # # The following characters indicate structure: # ( ) , ; : # # Whitespace is never allowed in a newick label, so an exception will be # thrown. # # We use ' to indicate a literal string. It has the highest precedence of # any operator. for line in fh: for character in line: # We will start by handling the comment case. # This code branch will probably never execute in practice. # Using a comment_depth we can handle nested comments. # Additionally if we are inside an escaped literal string, then # we don't want to consider it a comment. if character == "[" and not_escaped: # Sometimes we might not want to nest a comment, so we will use # our escape character. This is not explicitly mentioned in # any format specification, but seems like what a reasonable # person might do. if last_non_ws_char != "'" or comment_depth == 0: # Once again, only advance our depth if [ has not been # escaped inside our comment. comment_depth += 1 if comment_depth > 0: # Same as above, but in reverse if character == "]" and last_non_ws_char != "'": comment_depth -= 1 last_non_ws_char = character continue # We are not in a comment block if we are below here. # If we are inside of an escaped string literal, then ( ) , ; are # meaningless to the structure. # Otherwise, we are ready to submit our metadata token. if not_escaped and character in structure_tokens: label_start = False metadata = ''.join(metadata_buffer) # If the following condition is True, then we must have just # closed a literal. We know this because last_non_ws_char is # either None or the last non-whitespace character. # last_non_ws_char is None when we have just escaped an escape # and at the first iteration. if last_non_ws_char == "'" or not convert_underscores: # Make no modifications. yield metadata elif metadata: # Underscores are considered to be spaces when not in an # escaped literal string. yield metadata.replace('_', ' ') # Clear our buffer for the next metadata token and yield our # current structure token. metadata_buffer = [] yield character # We will now handle escaped string literals. # They are inconvenient because any character inside of them is # valid, especially whitespace. # We also need to allow ' to be escaped by '. e.g. '' -> ' elif character == "'": not_escaped = not not_escaped label_start = True if last_non_ws_char == "'": # We are escaping our escape, so it should be added to our # metadata_buffer which will represent some future token. metadata_buffer.append(character) # We do not want a running chain of overcounts, so we need # to clear the last character and continue iteration from # the top. Without this, the following would happen: # ''' ' -> '' <open literal> # What we want is: # ''' ' -> '<open literal> <close literal> last_non_ws_char = '' last_char = '' continue elif not character.isspace() or not not_escaped: if label_start and last_char.isspace() and not_escaped: raise NewickFormatError("Newick files cannot have" " unescaped whitespace in their" " labels.") metadata_buffer.append(character) label_start = True # This is equivalent to an `else` however it prevents coverage from # mis-identifying the `continue` as uncalled because cpython will # optimize it to a jump that is slightly different from the normal # jump it would have done anyways. elif True: # Skip the last statement last_char = character continue last_char = character # This line is skipped in the following cases: # * comment_depth > 0, i.e. we are in a comment. # * We have just processed the sequence '' and we don't want # the sequence ''' to result in ''. # * We have encountered whitespace that is not properly escaped. last_non_ws_char = character
Kleptobismol/scikit-bio
skbio/io/newick.py
Python
bsd-3-clause
20,610
[ "scikit-bio" ]
f525f7f889f34408657098302e67626d59b014c68f11d10c5d3cfe6779d1d21e
# -*- coding: utf-8 -*- import json import magic import copy import re import pytz import hashlib from sqlalchemy import or_ from mock import Mock, PropertyMock from nose.tools import ( assert_raises, assert_equal, assert_not_equal, assert_true) from jsonschema.exceptions import ValidationError from dateutil.parser import parse as du_parse from tests.base import BaseTestCase from splice.ingest import ingest_links, generate_artifacts, IngestError, distribute from splice.models import Tile, Adgroup, AdgroupSite DESKTOP_LOCALE_DISTRO_PATTERN = re.compile(r'desktop/(.*)\..*.ag.json') AG_DIST_PATHNAME = re.compile('desktop/([A-Z]{2}/([a-z]{2}-[A-Z]{2}))\.[a-z0-9]+\.ag\.json') LEGACY_DIST_PATHNAME = re.compile('desktop/([A-Z]{2}/([a-z]{2}-[A-Z]{2}))\.[a-z0-9]+\.json') class TestIngestLinks(BaseTestCase): def test_invalid_data(self): """ Invalid data is sent for ingestion """ assert_raises(ValidationError, ingest_links, {"invalid": {"data": 1}}, self.channels[0].id) def test_empty_data(self): """ Empty data input is not processed """ data = ingest_links({}, self.channels[0].id) assert_equal(data, {}) def test_invalid_country_code(self): """ Invalid country code is rejected """ assert_raises(IngestError, ingest_links, {"INVALID/en-US": [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ]}, self.channels[0].id) def test_invalid_locale(self): """ Invalid locale is rejected """ assert_raises(IngestError, ingest_links, {"US/en-DE": [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ]}, self.channels[0].id) def test_invalid_related(self): """ Invalid suggested type is rejected """ assert_raises(ValidationError, ingest_links, {"US/en-US": [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": "not an array, really" } ]}, self.channels[0].id) def test_check_type_uniqueness(self): """ A test of type uniqueness """ tile_1 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "type": "affiliate" } tile_2 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "type": "sponsored" } dist = {"US/en-US": [tile_1, tile_1, tile_2]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(len(dist['US/en-US']), len(data['US/en-US'])) c = self.env.db.session.query(Adgroup).count() assert_equal(30 + len(dist['US/en-US']) - 1, c) def test_suggested_sites(self): """ just a simple suggested site tile """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ["http://abc.com", "https://xyz.com"] } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) c = self.env.db.session.query(AdgroupSite).count() assert_equal(0, c) data = ingest_links({"US/en-US": [tile]}, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(31, c) c = self.env.db.session.query(AdgroupSite).count() assert_equal(2, c) def test_sorted_suggested_sites(self): """ ensure suggested sites are sorted """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ["http://lmnop.org", "http://def.com", "http://abc.com", "http://def.com", "https://xyz.com"] } data = ingest_links({"CA/en-US": [tile]}, self.channels[0].id) assert_equal(1, len(data["CA/en-US"])) assert_equal(data["CA/en-US"][0]['frecent_sites'], ["http://abc.com", "http://def.com", "http://lmnop.org", "https://xyz.com"]) def test_ingest_suggested_sites(self): """ Test that there is no duplication when ingesting tiles """ with open(self.get_fixture_path("tiles_suggested.json"), 'r') as f: tiles = json.load(f) num_tiles = self.env.db.session.query(Tile).count() data = ingest_links(tiles, self.channels[0].id) assert_equal(len(data['STAR/en-US']), 5) new_num_tiles = self.env.db.session.query(Tile).count() assert_equal(num_tiles + 4, new_num_tiles) # ingesting the same thing a second time should be idempotent data = ingest_links(tiles, self.channels[0].id) assert_equal(len(data['STAR/en-US']), 5) new_num_tiles = self.env.db.session.query(Tile).count() assert_equal(num_tiles + 4, new_num_tiles) def test_ingest_compact_payload(self): """ Test compact payload for ingest link """ image_uri = "data:image/png;base64,somedata foo" enhanced_uri = "data:image/png;base64,somedata bar" assets = { "image 0": image_uri, "enhanced image 0": enhanced_uri, } tile_us = { "imageURI": "image 0", "enhancedImageURI": "enhanced image 0", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", } tile_ca = { "imageURI": "image 0", "url": "https://somewhere.ca", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", } dist = { "assets": assets, "distributions": { "US/en-US": [tile_us], "CA/en-US": [tile_ca] } } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) assert_equal(1, len(data["CA/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(32, c) # test tile for CA/en-US tile = self.env.db.session.query(Tile).filter(Tile.id == 31).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(tile.adgroup_id, ag.id) assert_equal(tile.image_uri, hashlib.sha1(image_uri).hexdigest()) # test tile for US/en-US tile = self.env.db.session.query(Tile).filter(Tile.id == 32).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 32).one() assert_equal(tile.adgroup_id, ag.id) assert_equal(tile.image_uri, hashlib.sha1(image_uri).hexdigest()) assert_equal(tile.enhanced_image_uri, hashlib.sha1(enhanced_uri).hexdigest()) def test_ingest_invalid_compact_payload(self): """ Test invalid compact payload for ingest link """ image_uri = "data:image/png;base64,somedata foo" tile_us = { "imageURI": "image missing", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", } invalid_dist_assets_missing = { "distributions": { "US/en-US": [tile_us], } } invalid_dist_distributions_missing = { "assets": { "image 0": image_uri, } } invalid_dist_uri_missing = { "assets": { "image 0": image_uri, }, "distributions": { "US/en-US": [tile_us] } } assert_raises(ValidationError, ingest_links, invalid_dist_assets_missing, self.channels[0].id) assert_raises(ValidationError, ingest_links, invalid_dist_distributions_missing, self.channels[0].id) tiles = ingest_links(invalid_dist_uri_missing, self.channels[0].id) assert_equal(len(tiles["US/en-US"]), 0) def test_start_end_dates(self): """ a simple start/end date tile """ tile_no_tz = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", "end": "2014-01-31T00:00:00.000" } } dist = {"US/en-US": [tile_no_tz]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(31, c) tile = self.env.db.session.query(Tile).filter(Tile.id == 31).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(tile.adgroup_id, ag.id) assert_equal(ag.start_date, dist["US/en-US"][0]['time_limits']['start']) assert_equal(ag.end_date, dist["US/en-US"][0]['time_limits']['end']) assert_equal(ag.start_date_dt, du_parse(dist["US/en-US"][0]['time_limits']['start'])) assert_equal(ag.end_date_dt, du_parse(dist["US/en-US"][0]['time_limits']['end'])) def test_start_end_dates_timezones(self): """ test start/end dates with timezones """ def parse_to_utc_notz(dt_str): """ Return a TZ unaware dt in UTC """ dt = du_parse(dt_str) if dt.tzinfo: dt = dt.astimezone(pytz.utc).replace(tzinfo=None) return dt tile_no_tz = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", "end": "2014-01-31T00:00:00.000" } } tile_with_tz = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhereelse.com", "title": "Some Other Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000Z", "end": "2014-01-31T00:00:00.000Z" } } tile_with_mixed_tz = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhereelseyet.com", "title": "Yet Some Other Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", "end": "2014-01-31T00:00:00.000Z" } } dist = {"US/en-US": [tile_no_tz, tile_with_tz, tile_with_mixed_tz]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(len(dist["US/en-US"]), len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(30 + len(dist["US/en-US"]), c) tile_tested = 0 for i, tile_def in enumerate(dist["US/en-US"]): obj_id = 30 + 1 + i tile = self.env.db.session.query(Tile).filter(Tile.id == obj_id).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == obj_id).one() assert_equal(tile.adgroup_id, ag.id) assert_equal(ag.start_date, tile_def['time_limits']['start']) assert_equal(ag.end_date, tile_def['time_limits']['end']) assert_equal(ag.start_date_dt, parse_to_utc_notz(tile_def['time_limits']['start'])) assert_equal(ag.end_date_dt, parse_to_utc_notz(tile_def['time_limits']['end'])) tile_tested += 1 assert_equal(len(dist["US/en-US"]), tile_tested) def test_start_end_dates_optional(self): """ Ensure that start/end dates are optional """ tile_no_start = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "end": "2014-01-31T00:00:00.000" } } tile_no_end = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhereelse.com", "title": "Some Other Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", } } tile_empty_limits = { "imageURI": "data:image/png;base64,somedata", "url": "https://yetsomewhereelse.com", "title": "Yet Some Other Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": {} } dist = {"US/en-US": [tile_no_start, tile_no_end, tile_empty_limits]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(len(dist["US/en-US"]), len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(30 + len(dist["US/en-US"]), c) tile_tested = 0 for i, tile_def in enumerate(dist["US/en-US"]): obj_id = 30 + 1 + i tile = self.env.db.session.query(Tile).filter(Tile.id == obj_id).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == obj_id).one() assert_equal(tile.adgroup_id, ag.id) if ag.start_date: assert_equal(ag.start_date, tile_def['time_limits']['start']) tile_tested += 1 if ag.end_date: assert_equal(ag.end_date, tile_def['time_limits']['end']) tile_tested += 1 # one tile not tested because it has neither start or end dates assert_equal(len(dist["US/en-US"]) - 1, tile_tested) def test_start_end_dates_uniqueness(self): """ Test that start/end are part of what make tiles unique """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", "end": "2014-01-31T00:00:00.000" } } tile_no_start = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "end": "2014-01-31T00:00:00.000" } } tile_no_end = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", } } tile_empty_limits = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Tile", "type": "organic", "bgColor": "#FFFFFF", "time_limits": {} } dist = {"US/en-US": [tile, tile_no_start, tile_no_end, tile_empty_limits]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(len(dist["US/en-US"]), len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(30 + len(dist["US/en-US"]), c) def test_adgroups_channel_id_uniqueness(self): """ Test that channel_ids in adgroups are part of what makes Tiles unique """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", } dist = {"US/en-US": [tile]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) ingest_links(dist, self.channels[0].id) ingest_links(dist, self.channels[1].id) c = self.env.db.session.query(Adgroup).count() assert_equal(32, c) def test_title_bg_color(self): """ A simple test of title_bg_color """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "titleBgColor": "#FF00FF" } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links({"US/en-US": [tile]}, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(31, c) tile = self.env.db.session.query(Tile).filter(Tile.id == 31).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(tile.adgroup_id, ag.id) assert_equal(tile.title_bg_color, "#FF00FF") def test_adgroup_categories_invalid(self): """ A simple test of adgroup_categories with invalid data """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_categories": "Technology_General" # should be a list here } assert_raises(ValidationError, ingest_links, {"US/en-US": [tile]}, self.channels[0].id) def test_adgroup_categories_single(self): """ A simple test of adgroup_categories """ from splice.queries import get_categories_for_adgroup tile_ = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_categories": ["Technology_General"] } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links({"US/en-US": [tile_]}, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(31, c) tile = self.env.db.session.query(Tile).filter(Tile.id == 31).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(tile.adgroup_id, ag.id) db_categories = get_categories_for_adgroup(self.env.db.session, ag.id) assert_equal(tile_["adgroup_categories"], db_categories) def test_adgroup_categories_multiple(self): """ A simple test of adgroup_categories with multiple categories """ from splice.queries import get_categories_for_adgroup tile_ = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_categories": ["Technology_General", "Technology_Mobile"] } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links({"US/en-US": [tile_]}, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(31, c) tile = self.env.db.session.query(Tile).filter(Tile.id == 31).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(tile.adgroup_id, ag.id) db_categories = get_categories_for_adgroup(self.env.db.session, ag.id) assert_equal(sorted(tile_["adgroup_categories"]), db_categories) def test_frequency_caps(self): """ A simple test of frequency caps """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frequency_caps": { "daily": 3, "total": 10 } } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links({"US/en-US": [tile]}, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(31, c) tile = self.env.db.session.query(Tile).filter(Tile.id == 31).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(tile.adgroup_id, ag.id) assert_equal(ag.frequency_cap_daily, 3) assert_equal(ag.frequency_cap_total, 10) def test_frequency_cap_missing_data(self): """ Test caps with details missing """ def make_dist(caps): tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frequency_caps": caps } return {"US/en-US": [tile]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) assert_raises(ValidationError, ingest_links, make_dist({}), self.channels[0].id) assert_raises(ValidationError, ingest_links, make_dist({'daily': 3}), self.channels[0].id) assert_raises(ValidationError, ingest_links, make_dist({'total': 10}), self.channels[0].id) assert_raises(ValidationError, ingest_links, make_dist({'daily': "a number"}), self.channels[0].id) c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) def test_frequency_caps_uniqueness(self): """ A test of frequency caps uniqueness """ tile_1 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frequency_caps": { "daily": 3, "total": 10 } } tile_2 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frequency_caps": { "daily": 4, "total": 10 } } tile_3 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frequency_caps": { "daily": 3, "total": 11 } } dist = {"US/en-US": [tile_1, tile_1, tile_2, tile_3]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(len(dist['US/en-US']), len(data['US/en-US'])) c = self.env.db.session.query(Adgroup).count() assert_equal(30 + len(dist['US/en-US']) - 1, c) def test_explanation(self): explanation = "Suggested for %1$S fans who visit site %2$S" tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_name": "Technology", "explanation": explanation, } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links({"US/en-US": [tile]}, self.channels[0].id) assert_equal(1, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(31, c) tile = self.env.db.session.query(Tile).filter(Tile.id == 31).one() ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(tile.adgroup_id, ag.id) assert_equal(ag.name, "Technology") assert_equal(ag.explanation, explanation) @staticmethod def _make_dist(parts): tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_name": "Technology", "explanation": "Suggested for %1$S fans who visit site %2$S", } tile.update(parts) return {"US/en-US": [tile]} def test_explanation_invalid_data(self): tile = self._make_dist({"explanation": "A huge template %1$S, %2$S" * 100}) assert_raises(ValidationError, ingest_links, tile, self.channels[0].id) def test_explanation_template_sanitization(self): # test templates with html tags tile = self._make_dist({ "adgroup_name": "<script>Technology</script>", "explanation": "<br/>Suggested for %1$S, %2$S<br/>"}) ingest_links(tile, self.channels[0].id) ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 31).one() assert_equal(ag.name, "Technology") assert_equal(ag.explanation, "Suggested for %1$S, %2$S") # test templates with tags only and special characters tile = self._make_dist({ "title": "Some Another Title", "adgroup_name": "<script><script/>", "explanation": "< Suggested for %1$S, %2$S >"}) ingest_links(tile, self.channels[0].id) ag = self.env.db.session.query(Adgroup).filter(Adgroup.id == 32).one() assert_equal(ag.name, None) assert_equal(ag.explanation, "&lt; Suggested for %1$S, %2$S &gt;") def test_explanation_uniqueness(self): """ A test of explanation uniqueness """ tile_1 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_name": "A", "explanation": "B", } tile_2 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_name": "A", "explanation": "C", } tile_3 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "adgroup_name": "D", "explanation": "B", } dist = {"US/en-US": [tile_1, tile_1, tile_2, tile_3]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(len(dist['US/en-US']), len(data['US/en-US'])) c = self.env.db.session.query(Adgroup).count() assert_equal(30 + len(dist['US/en-US']) - 1, c) def test_check_inadjacency(self): """ Simple inadjacency flag test """ suggested_tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title Suggested", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ["http://lmnop.org", "http://def.com", "http://abc.com", "http://def.com", "https://xyz.com"], "check_inadjacency": True } directory_tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere-else.com", "title": "Some Title Directory", "type": "organic", "bgColor": "#FFFFFF", "check_inadjacency": True } c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links({"US/en-US": [suggested_tile, directory_tile]}, self.channels[0].id) assert_equal(2, len(data["US/en-US"])) c = self.env.db.session.query(Adgroup).count() assert_equal(32, c) ag = self.env.db.session.query(Adgroup).filter(or_(Adgroup.id == 31, Adgroup.id == 32)).all() asserted = 0 for a in ag: assert(a.check_inadjacency) asserted += 1 assert_equal(2, asserted) def test_check_inadjacency_invalid(self): tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title Suggested", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ["http://lmnop.org", "http://def.com", "http://abc.com", "http://def.com", "https://xyz.com"], "check_inadjacency": "True" } dist = {"US/en-US": [tile]} c = self.env.db.session.query(Adgroup).count() assert_raises(ValidationError, ingest_links, dist, self.channels[0].id) c2 = self.env.db.session.query(Adgroup).count() assert_equal(c, c2) def test_check_inadjacency_uniqueness(self): """ A test of inadjacency uniqueness """ tile_1 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "check_inadjacency": True } tile_2 = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "check_inadjacency": False } dist = {"US/en-US": [tile_1, tile_1, tile_2]} c = self.env.db.session.query(Adgroup).count() assert_equal(30, c) data = ingest_links(dist, self.channels[0].id) assert_equal(len(dist['US/en-US']), len(data['US/en-US'])) c = self.env.db.session.query(Adgroup).count() assert_equal(30 + len(dist['US/en-US']) - 1, c) def test_id_creation(self): """ Test an id is created for a valid tile """ tile = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } data = ingest_links({"STAR/en-US": [tile]}, self.channels[0].id) directory_id = data["STAR/en-US"][0]["directoryId"] # the biggest ID is 30 - next one should be 31 assert_equal(31, directory_id) def test_id_not_duplicated(self): """ Test an id is created for a valid tile """ tiles_star = [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" }, { "imageURI": "data:image/png;base64,someotherdata", "url": "https://somewhereelse.com", "title": "Some Other Title", "type": "organic", "bgColor": "#FFFFFF" }, ] tiles_ca = [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ] data = ingest_links({ "STAR/en-US": tiles_star, "CA/en-US": tiles_ca, }, self.channels[0].id) directory_id_star = data["STAR/en-US"][0]["directoryId"] directory_id_ca = data["CA/en-US"][0]["directoryId"] assert_equal(31, directory_id_star) assert_not_equal(data["STAR/en-US"][1]["directoryId"], directory_id_star) assert_equal(directory_id_ca, directory_id_star) def test_id_not_overwritten(self): """ Test an id is created for a valid tile """ tiles_star = [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ] data = ingest_links({"STAR/en-US": tiles_star}, self.channels[0].id) directory_id = data["STAR/en-US"][0]["directoryId"] assert_equal(31, directory_id) data = ingest_links({"STAR/en-US": tiles_star}, self.channels[0].id) directory_id = data["STAR/en-US"][0]["directoryId"] assert_equal(31, directory_id) def test_error_mid_ingestion(self): """ Test an error happening mid-ingestion """ tiles_star = [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" }, { "imageURI": "data:image/png;base64,someotherdata", "url": "https://somewhereelse.com", "title": "Some Other Title", "type": "organic", "bgColor": "#FFFFFF" }, ] tile_count_before = self.env.db.session.query(Tile).count() import splice.ingest insert_function = splice.ingest.insert_tile # put counts in a dict to get around python's # non-local scope restrictions on variables # for access in mock_ingest counts = { 'call': 0, 'exception_at': 2, } def mock_ingest(*args, **kwargs): counts['call'] += 1 if counts['call'] < counts['exception_at']: return insert_function(*args, **kwargs) else: raise Exception('Boom') function_mock = Mock(side_effect=mock_ingest) try: splice.ingest.insert_tile = function_mock assert_raises(Exception, ingest_links, {"STAR/en-US": tiles_star}, self.channels[0].id) tile_count_after = self.env.db.session.query(Tile).count() # None of two has been inserted, to test the "all or nothing" scenario assert_equal(0, tile_count_after - tile_count_before) finally: # put the module function back to what it was splice.ingest.insert_tile = insert_function def test_ingest_dbpool(self): """ Test a ingestion of a large number of tiles that could use up connections to the db """ with open(self.get_fixture_path("2014-10-30.ja-pt.json"), 'r') as f: tiles = json.load(f) ingest_links(tiles, self.channels[0].id) num_tiles = self.env.db.session.query(Tile).count() assert(num_tiles > 30) def test_ingest_no_duplicates(self): """ Test that there is no duplication when ingesting tiles """ with open(self.get_fixture_path("tiles_duplicates.json"), 'r') as f: tiles = json.load(f) num_tiles = self.env.db.session.query(Tile).count() ingest_links(tiles, self.channels[0].id) new_num_tiles = self.env.db.session.query(Tile).count() assert_equal(num_tiles + 1, new_num_tiles) class TestGenerateArtifacts(BaseTestCase): def test_generate_artifacts(self): """ Tests that the correct number of artifacts are generated """ with open(self.get_fixture_path("tiles_suggested.json"), 'r') as f: fixture = json.load(f) tile = fixture["STAR/en-US"][4] data = ingest_links({"STAR/en-US": [tile]}, self.channels[0].id) artifacts = generate_artifacts(data, self.channels[0].name, True) # tile index, v2, v3 and 2 image files are generated assert_equal(6, len(artifacts)) data = ingest_links({ "STAR/en-US": [tile], "CA/en-US": [tile] }, self.channels[0].id) artifacts = generate_artifacts(data, self.channels[0].name, True) # includes two more file: the locale data payload for each version assert_equal(8, len(artifacts)) def test_generate_artifacts_compact(self): """ Tests that the correct number of artifacts are generated for compact payload """ image_uri = "data:image/png;base64,QSBwcmV0dHkgaW1hZ2UgOik=" enhanced_uri = "data:image/png;base64,WWV0IGFub3RoZXIgcHJldHR5IGltYWdlIDop" assets = { "image 0": image_uri, "enhanced image 0": enhanced_uri, } tile_us = { "imageURI": "image 0", "enhancedImageURI": "enhanced image 0", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", } dist_us = { "assets": assets, "distributions": { "US/en-US": [tile_us] } } dist_us_ca = { "assets": assets, "distributions": { "US/en-US": [tile_us], "CA/en-US": [tile_us] } } data = ingest_links(dist_us, self.channels[0].id) artifacts = generate_artifacts(data, self.channels[0].name, True) # tile index, v2, v3 and 2 image files are generated assert_equal(6, len(artifacts)) data = ingest_links(dist_us_ca, self.channels[0].id) artifacts = generate_artifacts(data, self.channels[0].name, True) # includes two more file: the locale data payload for each version assert_equal(8, len(artifacts)) # verify the compact tiles artifact = artifacts[-1] payload = json.loads(artifact["data"]) assert_true("assets" in payload) assert_true("distributions" in payload) assets = payload["assets"] for _, tiles in payload["distributions"].iteritems(): for tile in tiles: assert_true(tile["imageURI"] in assets) if tile.get("enhancedImageURI"): assert_true(tile["enhancedImageURI"] in assets) def test_unknown_mime_type(self): """ Tests that an unknown mime type is rejected """ tiles_star = [ { "imageURI": "data:image/weirdimage;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ] data = ingest_links({"STAR/en-US": tiles_star}, self.channels[0].id) assert_raises(IngestError, generate_artifacts, data, self.channels[0].name, True) def test_malformed_data_uri_meta(self): """ Tests that a malformed data uri declaration is rejected """ tiles_star = [ { "imageURI": "data:image/somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ] data = ingest_links({"STAR/en-US": tiles_star}, self.channels[0].id) assert_raises(IngestError, generate_artifacts, data, self.channels[0].name, True) def test_image_content(self): with open(self.get_fixture_path("valid_tile.json"), 'r') as f: tiles = json.load(f) data = ingest_links(tiles, self.channels[0].id) artifacts = generate_artifacts(data, self.channels[0].name, True) found_image = False for file in artifacts: if "mime" in file: found_image = True assert_equal(file["mime"], magic.from_buffer(file["data"], mime=True)) assert_true(found_image) def test_image_artifact_hash(self): """ Test that the correct number of image artifacts are produced """ with open(self.get_fixture_path("valid_tile.json"), 'r') as f: fixture = json.load(f) tile_1 = fixture["STAR/en-US"][0] tile_2 = copy.deepcopy(tile_1) tile_2['title'] = 'Some Other Title' tile_3 = copy.deepcopy(tile_1) tile_3['title'] = 'Yet Another Title' tiles = {'STAR/en-US': [tile_1, tile_2, tile_3]} data = ingest_links(tiles, self.channels[0].id) artifacts = generate_artifacts(data, self.channels[0].name, True) # even if there are 3 tiles, there should only be 2 images image_count = 0 for a in artifacts: mime = a.get('mime') if mime and mime == 'image/png': image_count += 1 assert_equal(2, image_count) def test_generate_artifacts_tile_count(self): """ Tests that the correct number of tiles are produced """ with open(self.get_fixture_path('mozilla-tiles.fennec.sg.json'), 'r') as f: tiles = json.load(f) data = ingest_links(tiles, self.channels[0].id) artifacts = generate_artifacts(data, self.channels[0].name, True) assertions_run = False for a in artifacts: m = DESKTOP_LOCALE_DISTRO_PATTERN.match(a['key']) if m: country_locale = m.groups()[0] distro_data = json.loads(a['data']) assert_equal(len(tiles[country_locale]) - 1, len(distro_data['directory'])) assert_equal(1, len(distro_data['suggested'])) assertions_run = True assert(assertions_run) class TestDistribute(BaseTestCase): def setUp(self): import splice.ingest self.key_mock = Mock() self.bucket_mock = Mock() def bucket_get_key_mock(*args, **kwargs): return None self.bucket_mock.get_key = Mock(side_effect=bucket_get_key_mock) def get_key_mock(*args, **kwargs): return self.key_mock splice.ingest.Key = Mock(side_effect=get_key_mock) def get_bucket_mock(*args, **kwargs): return self.bucket_mock self.env.s3.get_bucket = Mock(side_effect=get_bucket_mock) self.key_names = [] def key_set_name(name): self.key_names.append(name) type(self.key_mock).name = PropertyMock(side_effect=key_set_name) self.key_contents = [] def key_set_contents(data, **kwargs): self.key_contents.append(data) self.key_mock.set_contents_from_string = Mock(side_effect=key_set_contents) super(TestDistribute, self).setUp() def test_distribute(self): tiles_star = [ { "imageURI": "data:image/png;base64,somedata", "enhancedImageURI": "data:image/png;base64,somemoredata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ] tiles_ca = [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF" } ] data = ingest_links({"STAR/en-US": tiles_star}, self.channels[0].id) distribute(data, self.channels[0].id, True) # 6 files are uploaded, mirrors generate artifacts assert_equal(6, self.key_mock.set_contents_from_string.call_count) self.key_mock.set_contents_from_string = Mock() data = ingest_links({ "STAR/en-US": tiles_star, "CA/en-US": tiles_ca, }, self.channels[0].id) distribute(data, self.channels[0].id, True) # includes two more upload: the locate data payload (for both versions) assert_equal(8, self.key_mock.set_contents_from_string.call_count) def test_distribute_suggested(self): tiles_star = [ { "imageURI": "data:image/png;base64,somedata", "enhancedImageURI": "data:image/png;base64,somemoredata", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ['http://xyz.com', 'http://abc.com'] } ] tiles_ca = [ { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Other Title", "type": "organic", "bgColor": "#FFFFFF" } ] data = ingest_links({ "STAR/en-US": tiles_star, "CA/en-US": tiles_ca, }, self.channels[0].id) distribute(data, self.channels[0].id, True) # in this case, the 3rd element should be the mock of the s3 upload for the 'ag' index frecents = json.loads(self.key_mock.set_contents_from_string.mock_calls[3][1][0])['suggested'][0]['frecent_sites'] assert_equal(frecents, ['http://abc.com', 'http://xyz.com']) def test_distribute_compact(self): image_uri = "data:image/png;base64,QSBwcmV0dHkgaW1hZ2UgOik=" enhanced_uri = "data:image/png;base64,WWV0IGFub3RoZXIgcHJldHR5IGltYWdlIDop" assets = { "image 0": image_uri, "enhanced image 0": enhanced_uri, } tile_us = { "imageURI": "image 0", "enhancedImageURI": "enhanced image 0", "url": "https://somewhere.com", "title": "Some Title", "type": "organic", "bgColor": "#FFFFFF", } dist_ca_us = { "assets": assets, "distributions": { "US/en-US": [tile_us], "CA/en-US": [tile_us] } } data = ingest_links(dist_ca_us, self.channels[0].id) distribute(data, self.channels[0].id, True) assert_equal(8, self.key_mock.set_contents_from_string.call_count) def test_distribute_frequency_cap(self): """ Tests if frequency cap makes it in distributions """ tile_en_gb = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title CA", "type": "organic", "bgColor": "#FFFFFF", "frequency_caps": { "daily": 3, "total": 10 } } tile_en_us = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere_else.com", "title": "Some Title US", "type": "organic", "bgColor": "#FFFFFF", "frequency_caps": { "daily": 5, "total": 15 } } tiles_en_us_suggested = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title US Suggested", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ['http://xyz.com', 'http://abc.com'], "frequency_caps": { "daily": 7, "total": 20 } } distribution = { "US/en-US": [tile_en_us, tiles_en_us_suggested], "GB/en-US": [tile_en_us], "GB/en-GB": [tile_en_gb] } data = ingest_links(distribution, self.channels[0].id) distribute(data, self.channels[0].id, True) # one image, 3 AG distributions, 3 legacy distributions, one index, one input distribution assert_equal(9, self.key_mock.set_contents_from_string.call_count) num_tiles_checked = 0 for i, key in enumerate(self.key_names): ag = AG_DIST_PATHNAME.match(key) leg = LEGACY_DIST_PATHNAME.match(key) if ag: country_locale, locale = ag.groups() data = json.loads(self.key_contents[i]) for tile in data['directory']: # index 0 expected, only for US/en-US assert_equal(distribution[country_locale][0]['frequency_caps'], tile.get('frequency_caps')) num_tiles_checked += 1 for tile in data['suggested']: # index 1 expected, only for US/en-US assert_equal(distribution[country_locale][1]['frequency_caps'], tile.get('frequency_caps')) num_tiles_checked += 1 elif leg: country_locale, locale = leg.groups() data = json.loads(self.key_contents[i]) assert_equal(1, len(data[locale])) tile = data[locale][0] assert_equal(None, tile.get('frequency_caps')) num_tiles_checked += 1 assert_equal(7, num_tiles_checked) def test_distribute_adgroup_explanation(self): tile_en_us = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere_else.com", "title": "Some Title US", "type": "organic", "bgColor": "#FFFFFF", "adgroup_name": "Teçhnology".decode('utf-8'), "explanation": "推荐 for %1$S fans who also like %2$S".decode('utf-8') } tiles_en_us_suggested = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title US Suggested", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ['http://xyz.com', 'http://abc.com'], "adgroup_name": "Technology", "explanation": "Suggested for %1$S fans who also like %2$S" } distribution = { "US/en-US": [tile_en_us, tiles_en_us_suggested], "GB/en-US": [tile_en_us], } data = ingest_links(distribution, self.channels[0].id) distribute(data, self.channels[0].id, True) # one image, 2 AG distributions, 2 legacy distributions, one index, one input distribution assert_equal(7, self.key_mock.set_contents_from_string.call_count) num_tiles_checked = 0 for i, key in enumerate(self.key_names): ag = AG_DIST_PATHNAME.match(key) leg = LEGACY_DIST_PATHNAME.match(key) if ag: country_locale, locale = ag.groups() data = json.loads(self.key_contents[i]) for tile in data['directory']: # index 0 expected, only for US/en-US assert_equal(distribution[country_locale][0]['adgroup_name'], tile.get('adgroup_name')) assert_equal(distribution[country_locale][0]['explanation'], tile.get('explanation')) num_tiles_checked += 1 for tile in data['suggested']: # index 1 expected, only for US/en-US assert_equal(distribution[country_locale][1]['adgroup_name'], tile.get('adgroup_name')) assert_equal(distribution[country_locale][1]['explanation'], tile.get('explanation')) num_tiles_checked += 1 elif leg: country_locale, locale = leg.groups() data = json.loads(self.key_contents[i]) assert_equal(1, len(data[locale])) tile = data[locale][0] assert_equal(None, tile.get('adgroup_name')) assert_equal(None, tile.get('explanation')) num_tiles_checked += 1 assert_equal(5, num_tiles_checked) def test_distribute_inadjacency_check(self): """ Test if check_inadjacency makes it in distributions """ tile_en_gb = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title CA", "type": "organic", "bgColor": "#FFFFFF", "check_inadjacency": True } tile_en_us = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere_else.com", "title": "Some Title US", "type": "organic", "bgColor": "#FFFFFF", "check_inadjacency": True } tiles_en_us_suggested = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title US Suggested", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ['http://xyz.com', 'http://abc.com'], "check_inadjacency": True, "frequency_caps": { "daily": 7, "total": 20 } } distribution = { "US/en-US": [tile_en_us, tiles_en_us_suggested], "GB/en-US": [tile_en_us], "GB/en-GB": [tile_en_gb] } data = ingest_links(distribution, self.channels[0].id) distribute(data, self.channels[0].id, True) # one image, 3 AG distributions, 3 legacy distributions, one index, one input distribution assert_equal(9, self.key_mock.set_contents_from_string.call_count) num_tiles_checked = 0 for i, key in enumerate(self.key_names): ag = AG_DIST_PATHNAME.match(key) leg = LEGACY_DIST_PATHNAME.match(key) if ag: country_locale, locale = ag.groups() data = json.loads(self.key_contents[i]) for tile in data['directory']: # index 0 expected, only for US/en-US assert_equal(distribution[country_locale][0]['check_inadjacency'], tile.get('check_inadjacency')) num_tiles_checked += 1 for tile in data['suggested']: # index 1 expected, only for US/en-US assert_equal(distribution[country_locale][1]['check_inadjacency'], tile.get('check_inadjacency')) num_tiles_checked += 1 elif leg: country_locale, locale = leg.groups() data = json.loads(self.key_contents[i]) assert_equal(1, len(data[locale])) tile = data[locale][0] assert_equal(None, tile.get('check_inadjacency')) num_tiles_checked += 1 assert_equal(7, num_tiles_checked) def test_distribute_time_limits(self): """ Test if time limits make it in distributions """ tile_en_gb = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title CA", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", "end": "2014-01-31T00:00:00.000" } } tile_en_us = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere_else.com", "title": "Some Title US", "type": "organic", "bgColor": "#FFFFFF", "time_limits": { "start": "2014-01-12T00:00:00.000", "end": "2014-01-31T00:00:00.000" } } tiles_en_us_suggested = { "imageURI": "data:image/png;base64,somedata", "url": "https://somewhere.com", "title": "Some Title US Suggested", "type": "organic", "bgColor": "#FFFFFF", "frecent_sites": ['http://xyz.com', 'http://abc.com'], "check_inadjacency": True, "frequency_caps": { "daily": 7, "total": 20 }, "time_limits": { "start": "2014-01-12T00:00:00.000", "end": "2014-01-31T00:00:00.000" } } distribution = { "US/en-US": [tile_en_us, tiles_en_us_suggested], "GB/en-US": [tile_en_us], "GB/en-GB": [tile_en_gb] } data = ingest_links(distribution, self.channels[0].id) distribute(data, self.channels[0].id, True) # one image, 3 AG distributions, 3 legacy distributions, one index, one input distribution assert_equal(9, self.key_mock.set_contents_from_string.call_count) num_tiles_checked = 0 for i, key in enumerate(self.key_names): ag = AG_DIST_PATHNAME.match(key) leg = LEGACY_DIST_PATHNAME.match(key) if ag: country_locale, locale = ag.groups() data = json.loads(self.key_contents[i]) for tile in data['directory']: # index 0 expected, only for US/en-US assert_equal(distribution[country_locale][0]['time_limits'], tile.get('time_limits')) num_tiles_checked += 1 for tile in data['suggested']: # index 1 expected, only for US/en-US assert_equal(distribution[country_locale][1]['time_limits'], tile.get('time_limits')) num_tiles_checked += 1 elif leg: country_locale, locale = leg.groups() data = json.loads(self.key_contents[i]) assert_equal(1, len(data[locale])) tile = data[locale][0] assert_equal(None, tile.get('time_limits')) num_tiles_checked += 1 assert_equal(7, num_tiles_checked) def test_deploy_always_generates_tile_index(self): """A tiles index file should always be generated""" # this is a dict, because of a quirk in python's namespacing/scoping # https://docs.python.org/2/tutorial/classes.html#python-scopes-and-namespaces index_uploaded = {'count': 0} def key_set_name(name): if name == "{0}_tile_index.v3.json".format(self.channels[0].name): index_uploaded['count'] += 1 name_mock = PropertyMock(side_effect=key_set_name) type(self.key_mock).name = name_mock with open(self.get_fixture_path("mozilla-tiles.fennec.json"), 'r') as f: tiles = json.load(f) data = ingest_links(tiles, self.channels[0].id) distribute(data, self.channels[0].id, True) assert_equal(1, index_uploaded['count']) data = ingest_links(tiles, self.channels[0].id) distribute(data, self.channels[0].id, True) assert_equal(2, index_uploaded['count']) class TestISOPattern(BaseTestCase): def test_relative_time_str(self): """ Verify a relative ISO8061 time string validates """ from splice.schemas import ISO_8061_pattern pat = re.compile(ISO_8061_pattern) date_str = '2014-01-12T00:00:00.000' m = pat.match(date_str) assert(m) assert_equal(None, m.groups()[-2]) def test_absolute_time_str(self): """ Verify a ISO8061 time string with Z time string validates """ from splice.schemas import ISO_8061_pattern pat = re.compile(ISO_8061_pattern) date_str = '2014-01-12T00:00:00.000Z' m = pat.match(date_str) assert(m) assert_equal('Z', m.groups()[-2]) def test_timezone_str(self): """ Verify a ISO8061 time string with timezone time string validates """ from splice.schemas import ISO_8061_pattern pat = re.compile(ISO_8061_pattern) date_str = '2015-05-05T14:19:58.359981-05:00' m = pat.match(date_str) assert(m) assert_equal('-05:00', m.groups()[-2]) date_str = '2015-05-05T14:19:58.359981-05' m = pat.match(date_str) assert(m) assert_equal('-05', m.groups()[-2]) date_str = '2015-05-05T14:19:58.359981-0500' m = pat.match(date_str) assert(m) assert_equal('-0500', m.groups()[-2])
mostlygeek/splice
tests/test_ingest.py
Python
mpl-2.0
62,667
[ "VisIt" ]
0c682eecf19a0077d1d985d78ebd0be052712c17ae9962c332a320ea963c9a15
# -*- coding: utf-8 -*- # # Collection of functions related to BAM and SAM files # # pysam uses 0-based coordinates from collections import namedtuple import os import re import sys import pysam from .chain import ChainFile from .exceptions import G2GCigarFormatError, G2GBAMError, G2GValueError from .g2g_utils import get_logger import g2g_fileutils as g2g_fu FLAG_NONE = 0x0 # base value FLAG_PAIRED = 0x1 # template having multiple segments in sequencing FLAG_PROPER_PAIR = 0x2 # each segment properly aligned according to the aligner FLAG_UNMAP = 0x4 # segment unmapped FLAG_MUNMAP = 0x8 # next segment in the template unmapped (mate unmapped) FLAG_REVERSE = 0x10 # SEQ being reverse complemented FLAG_MREVERSE = 0x20 # SEQ of the next segment in the template being reversed FLAG_READ1 = 0x40 # the first segment in the template FLAG_READ2 = 0x80 # the last segment in the template FLAG_SECONDARY = 0x100 # secondary alignment FLAG_QCFAIL = 0x200 # not passing quality controls FLAG_DUP = 0x400 # PCR or optical duplicate FLAG_SUPPLEMENTARY = 0x800 # supplementary alignment REGEX_CIGAR = re.compile("(\d+)([\w=])") REGEX_CIGAR_LENGTH = re.compile("\D") CIGAR_M = 'M' CIGAR_I = 'I' CIGAR_D = 'D' CIGAR_N = 'N' CIGAR_S = 'S' CIGAR_H = 'H' CIGAR_P = 'P' CIGAR_E = '=' CIGAR_X = 'X' CIGAR_m = 0 CIGAR_i = 1 CIGAR_d = 2 CIGAR_n = 3 CIGAR_s = 4 CIGAR_h = 5 CIGAR_p = 6 CIGAR_e = 7 CIGAR_x = 8 CIGAR_N2C = { 0: 'M', # alignment match (can be a sequence match or mismatch) 1: 'I', # insertion to the reference 2: 'D', # deletion from the reference 3: 'N', # skipped region from the reference 4: 'S', # soft clipping (clipped sequences present in SEQ) 5: 'H', # hard clipping (clipped sequences NOT present in SEQ) 6: 'P', # padding (silent deletion from padded reference) 7: '=', # sequence match 8: 'X', # sequence mismatch '0': 'M', '1': 'I', '2': 'D', '3': 'N', '4': 'S', '5': 'H', '6': 'P', '7': '=', '8': 'X' } CIGAR_C2N = { 'M': 0, 'I': 1, 'D': 2, 'N': 3, 'S': 4, 'H': 5, 'P': 6, '=': 7, 'X': 8 } LOG = get_logger() Cigar = namedtuple('Cigar', ['code', 'length', 'start', 'end']) def convert_bam_file(chain_file, file_in, file_out, reverse=False): """ Convert genome coordinates (in BAM/SAM format) between assemblies. These coordinates are stored in the :class:`.chain.ChainFile` object. :param chain_file: chain file used for conversion :type chain_file: :class:`.chain.ChainFile` :param str file_in: the input SAM or BAM file :type file_in: string :param file_out: the output SAM or file :type file_out: string :param reverse: reverse direction of original chain file :type reverse: boolean """ if not isinstance(chain_file, ChainFile): chain_file = g2g_fu.check_file(chain_file) if not isinstance(file_in, pysam.Samfile): file_in = g2g_fu.check_file(file_in) output_file_name = g2g_fu.check_file(file_out, 'w') unmapped_file_name = "{0}.unmapped".format(output_file_name) LOG.info("CHAIN FILE: {0}".format(chain_file)) LOG.info("INPUT FILE: {0}".format(file_in)) LOG.info("OUTPUT FILE: {0}".format(output_file_name)) LOG.info("UNMAPPED FILE: {0}".format(unmapped_file_name)) if not isinstance(chain_file, ChainFile): LOG.info("Parsing chain file...") chain_file = ChainFile(chain_file, reverse=reverse) LOG.info("Chain file parsed") if not isinstance(file_in, pysam.Samfile): try: sam_file = pysam.Samfile(file_in, 'rb') if len(sam_file.header) == 0: raise G2GBAMError("BAM File has no header information") except: sam_file = pysam.Samfile(file_in, 'r') if len(sam_file.header) == 0: raise G2GBAMError("SAM File has no header information") LOG.info("Converting BAM file") new_header = sam_file.header # replace 'HD' new_header['HD'] = {'VN': 1.0, 'SO': 'coordinate'} # replace SQ tmp = [] name_to_id = {} id = 0 for ref_name in sorted(chain_file.chrom_size_to): tmp.append({'LN': chain_file.chrom_size_from[ref_name], 'SN': ref_name}) name_to_id[ref_name] = id id += 1 new_header['SQ'] = tmp if 'PG' not in new_header: new_header['PG'] = [] new_header['PG'].append({'ID': 'gtgtools', 'VN': 1.0}) if 'CO' not in new_header: new_header['CO'] = [] new_header['CO'].append("Original file: {0}".format(file_in)) new_header['CO'].append("Chain File: {0}".format(chain_file.file_name)) dir, temp_file_name = os.path.split(file_out) parts = temp_file_name.split('.') ext = parts[-1] if ext.lower() == 'bam': new_file = pysam.Samfile(file_out, 'wb', header=new_header) new_file_unmapped = pysam.Samfile(unmapped_file_name, 'wb', template=sam_file) elif ext.lower() == 'sam': new_file = pysam.Samfile(file_out, 'wh', header=new_header) new_file_unmapped = pysam.Samfile(unmapped_file_name, 'wh', template=sam_file) else: raise G2GBAMError("Unable to create new file based upon file extension") total = 0 total_unmapped = 0 total_fail_qc = 0 map_statistics = {'total': 0, 'fail_cannot_map': 0, 'success_simple': 0, 'success_complex': 0} map_statistics_pair = {'total': 0, 'fail_cannot_map': 0, 'success_1_fail_2_simple': 0, 'success_1_fail_2_complex': 0, 'success_1_simple_2_fail': 0, 'success_1_simple_2_simple': 0, 'success_1_simple_2_complex': 0, 'success_1_complex_2_fail': 0, 'success_1_complex_2_simple': 0, 'success_1_complex_2_complex': 0} try: while True: if total and total % 10000 == 0: status_success = 0 status_failed = 0 for k, v in map_statistics_pair.iteritems(): if k.startswith('success'): status_success += v elif k.startswith('fail'): status_failed += v LOG.info("Processed {0:,} reads, {1:,} successful, {2:,} failed".format(total, status_success, status_failed)) alignment = sam_file.next() alignment_new = pysam.AlignedRead() read_chr = sam_file.getrname(alignment.tid) # READ ONLY # aend aligned reference position of the read on the reference genome # alen aligned length of the read on the reference genome. # positions a list of reference positions that this read aligns to # qend end index of the aligned query portion of the sequence (0-based, exclusive) # qlen Length of the aligned query sequence # qqual aligned query sequence quality values # qstart start index of the aligned query portion of the sequence (0-based, inclusive) # query aligned portion of the read and excludes any flanking bases that were soft clipped # rlen length of the read # TRUE / FALSE (setting effects flag) # is_paired true if read is paired in sequencing # is_proper_pair true if read is mapped in a proper pair # is_qcfail true if QC failure # is_read1 true if this is read1 # is_read2 true if this is read2 # is_reverse true if read is mapped to reverse strand # is_secondary true if not primary alignment # is_unmapped true if read itself is unmapped # mate_is_reverse true is read is mapped to reverse strand # mate_is_unmapped true if the mate is unmapped # SET # cigar cigar as list of tuples # cigarstring alignment as a string # flag properties flag # mapq mapping quality # pnext the position of the mate # pos 0-based leftmost coordinate # pnext the position of the mate # qname the query name # rnext the reference id of the mate # seq read sequence bases, including soft clipped bases # tid target id, contains the index of the reference sequence in the sequence dictionary # DON'T NEED TO SET or SHOULD WE SET? # qual read sequence base qualities, including soft clipped bases # tags the tags in the AUX field # tlen insert size total += 1 LOG.debug('~'*80) LOG.debug("Converting {0} {1} {2} {3}".format(alignment.qname, read_chr, alignment.pos, alignment.cigarstring)) if alignment.is_qcfail: LOG.debug("\tFail due to qc of old alignment") new_file_unmapped.write(alignment) total_fail_qc += 1 continue if alignment.is_unmapped: LOG.debug("\tFail due to unmapped old alignment") new_file_unmapped.write(alignment) total_unmapped += 1 continue if not alignment.is_paired: LOG.debug("SINGLE END ALIGNMENT") map_statistics['total'] += 1 alignment_new.seq = alignment.seq alignment_new.flag = FLAG_NONE alignment_new.mapq = alignment.mapq alignment_new.qname = alignment.qname alignment_new.qual = alignment.qual alignment_new.tags = alignment.tags read_start = alignment.pos read_end = alignment.aend read_strand = '-' if alignment.is_reverse else '+' mappings = chain_file.find_mappings(read_chr, read_start, read_end) # unmapped if mappings is None: LOG.debug("\tFail due to no mappings") new_file_unmapped.write(alignment) map_statistics['fail_cannot_map'] += 1 elif len(mappings) == 1: if alignment.is_reverse: alignment_new.flag |= FLAG_REVERSE alignment_new.tid = name_to_id[mappings[0].to_chr] alignment_new.pos = mappings[0].to_start alignment_new.cigar = alignment.cigar new_file.write(alignment_new) LOG.debug("\tSuccess (simple): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) map_statistics['success_simple'] += 1 else: LOG.debug("MAPPINGS: {0}".format(len(mappings))) for m in mappings: LOG.debug("> {0}".format(m)) if alignment.is_reverse: alignment_new.flag |= FLAG_REVERSE alignment_new.tid = name_to_id[mappings[0].to_chr] alignment_new.pos = mappings[0].to_start alignment_new.cigar = convert_cigar(alignment.cigar, read_chr, chain_file, alignment.seq, read_strand, alignment.pos) new_file.write(alignment_new) LOG.debug("\tSuccess (complex): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) map_statistics['success_complex'] += 1 else: LOG.debug("PAIRED END ALIGNMENT") map_statistics_pair['total'] += 1 alignment_new.seq = alignment.seq alignment_new.flag = FLAG_PAIRED alignment_new.mapq = alignment.mapq alignment_new.qname = alignment.qname alignment_new.qual = alignment.qual alignment_new.tags = alignment.tags if alignment.is_read1: alignment_new.flag |= FLAG_READ1 if alignment.is_read2: alignment_new.flag |= FLAG_READ2 if alignment.is_reverse: alignment_new.flag |= FLAG_REVERSE if alignment.mate_is_reverse: alignment_new.flag |= FLAG_MREVERSE read1_chr = sam_file.getrname(alignment.tid) read1_start = alignment.pos read1_end = alignment.aend read1_strand = '-' if alignment.is_reverse else '+' read1_mappings = chain_file.find_mappings(read1_chr, read1_start, read1_end) #, read1_strand) read2_chr = None read2_start = None read2_end = None read2_strand = None read2_mappings = None if alignment.mate_is_unmapped: alignment_new.flag |= FLAG_MUNMAP else: read2_chr = sam_file.getrname(alignment.rnext) read2_start = alignment.pnext read2_end = read2_start + 1 read2_strand = '-' if alignment.mate_is_reverse else '+' try: read2_mappings = chain_file.find_mappings(read2_chr, read2_start, read2_end) except: read2_mappings = None if read1_mappings is None and read2_mappings is None: alignment_new.flag |= FLAG_UNMAP alignment_new.flag |= FLAG_MUNMAP LOG.debug("\tFail due to no mappings") new_file_unmapped.write(alignment) map_statistics_pair['fail_cannot_map'] += 1 elif read1_mappings is None and read2_mappings and len(read2_mappings) == 1: alignment_new.flag |= FLAG_UNMAP alignment_new.pos = 0 alignment_new.cigarstring = '0M' alignment_new.rnext = name_to_id[read2_mappings[0].to_chr] alignment_new.pnext = read2_mappings[0].to_start alignment_new.tlen = 0 LOG.debug("\tPair Success (1:fail,2:simple): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_fail_2_simple'] += 1 elif read1_mappings is None and read2_mappings and len(read2_mappings) > 1: alignment_new.flag |= FLAG_UNMAP alignment_new.pos = 0 alignment_new.cigarstring = '0M' alignment_new.rnext = name_to_id[read2_mappings[0].to_chr] alignment_new.pnext = read2_mappings[0].to_start alignment_new.tlen = 0 LOG.debug("\tPair Success (1:fail,2:complex): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_fail_2_complex'] += 1 elif read1_mappings and len(read1_mappings) == 1 and read2_mappings is None: alignment_new.flag |= FLAG_MUNMAP alignment_new.tid = name_to_id[read1_mappings[0].to_chr] alignment_new.pos = read1_mappings[0].to_start alignment_new.cigar = alignment.cigar alignment_new.rnext = name_to_id[read1_mappings[0].to_chr] alignment_new.pnext = 0 alignment_new.tlen = 0 # CHECK LOG.debug("\tPair Success (1:simple,2:fail): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_simple_2_fail'] += 1 elif read1_mappings and len(read1_mappings) == 1 and read2_mappings and len(read2_mappings) == 1: alignment_new.tid = name_to_id[read1_mappings[0].to_chr] alignment_new.pos = read1_mappings[0].to_start alignment_new.cigar = alignment.cigar alignment_new.rnext = name_to_id[read2_mappings[0].to_chr] alignment_new.pnext = read2_mappings[0].to_start alignment_new.tlen = 0 # CHECK LOG.debug("\tPair Success (1:simple,2:simple): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_simple_2_simple'] += 1 elif read1_mappings and len(read1_mappings) == 1 and read2_mappings and len(read2_mappings) > 1: alignment_new.tid = name_to_id[read1_mappings[0].to_chr] alignment_new.pos = read1_mappings[0].to_start alignment_new.cigar = alignment.cigar alignment_new.rnext = name_to_id[read2_mappings[0].to_chr] alignment_new.pnext = read2_mappings[0].to_start alignment_new.tlen = 0 # CHECK LOG.debug("\tPair Success (1:simple,2:complex): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_simple_2_complex'] += 1 elif read1_mappings and len(read1_mappings) > 1 and read2_mappings is None: alignment_new.flag |= FLAG_MUNMAP alignment_new.tid = name_to_id[read1_mappings[0].to_chr] alignment_new.pos = read1_mappings[0].to_start alignment_new.cigar = convert_cigar(alignment.cigar, read_chr, chain_file, alignment.seq, read1_strand, alignment.pos) alignment_new.rnext = name_to_id[read1_mappings[0].to_chr] alignment_new.pnext = 0 alignment_new.tlen = 0 # CHECK LOG.debug("\tPair Success (1:complex,2:fail): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_complex_2_fail'] += 1 elif read1_mappings and len(read1_mappings) > 1 and read2_mappings and len(read2_mappings) == 1: alignment_new.tid = name_to_id[read1_mappings[0].to_chr] alignment_new.pos = read1_mappings[0].to_start alignment_new.cigar = convert_cigar(alignment.cigar, read_chr, chain_file, alignment.seq, read1_strand, alignment.pos) alignment_new.rnext = name_to_id[read2_mappings[0].to_chr] alignment_new.pnext = read2_mappings[0].to_start alignment_new.tlen = 0 # CHECK LOG.debug("\tPair Success (1:complex,2:simple): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_complex_2_simple'] += 1 elif read1_mappings and len(read1_mappings) > 1 and read2_mappings and len(read2_mappings) > 1: alignment_new.tid = name_to_id[read1_mappings[0].to_chr] alignment_new.pos = read1_mappings[0].to_start alignment_new.cigar = convert_cigar(alignment.cigar, read_chr, chain_file, alignment.seq, read1_strand, alignment.pos) alignment_new.rnext = name_to_id[read2_mappings[0].to_chr] alignment_new.pnext = read2_mappings[0].to_start alignment_new.tlen = 0 # CHECK LOG.debug("\tPair Success (1:complex,2:complex): {0} {1}".format(alignment_new.pos, alignment_new.cigarstring)) new_file.write(alignment_new) map_statistics_pair['success_1_complex_2_complex'] += 1 else: raise G2GBAMError("Unknown BAM/SAM conversion/parse situation") except StopIteration: LOG.info("All reads processed") LOG.info(" {:>10} TOTAL ENTRIES".format(total)) LOG.info(" {:>10} TOTAL UNMAPPED ".format(total_unmapped)) LOG.info(" {:>10} TOTAL FAIL QC ".format(total_fail_qc)) if map_statistics['total'] > 0: LOG.info("") LOG.info("Mapping Summary Single End") LOG.info(" {:>10} TOTAL ENTRIES".format(map_statistics['total'])) LOG.info("") LOG.info(" {:>10} TOTAL SUCCESS".format(map_statistics['success_simple'] + map_statistics['success_complex'])) LOG.info(" {:>10} Simple".format(map_statistics['success_simple'])) LOG.info(" {:>10} Complex".format(map_statistics['success_complex'])) LOG.info("") LOG.info(" {:>10} TOTAL FAILURES".format(map_statistics['fail_cannot_map'])) LOG.info(" {:>10} Cannot Map ".format(map_statistics['fail_cannot_map'])) if map_statistics_pair['total'] > 0: total_success = 0 for k, v in map_statistics_pair.iteritems(): if k.startswith('success'): total_success += v LOG.info("") LOG.info("Mapping Summary Paired End") LOG.info(" {:>10} TOTAL ENTRIES".format(map_statistics_pair['total'])) LOG.info("") LOG.info(" {:>10} TOTAL SUCCESS".format(total_success)) LOG.info(" {:>10} Read 1 Failed, Read 2 Simple".format(map_statistics_pair['success_1_fail_2_simple'])) LOG.info(" {:>10} Read 1 Failed, Read 2 Complex".format(map_statistics_pair['success_1_fail_2_complex'])) LOG.info(" {:>10} Read 1 Simple, Read 2 Failed".format(map_statistics_pair['success_1_simple_2_fail'])) LOG.info(" {:>10} Read 1 Simple, Read 2 Simple".format(map_statistics_pair['success_1_simple_2_simple'])) LOG.info(" {:>10} Read 1 Simple, Read 2 Complex".format(map_statistics_pair['success_1_simple_2_complex'])) LOG.info(" {:>10} Read 1 Complex, Read 2 Failed".format(map_statistics_pair['success_1_complex_2_fail'])) LOG.info(" {:>10} Read 1 Complex, Read 2 Simple".format(map_statistics_pair['success_1_complex_2_simple'])) LOG.info(" {:>10} Read 1 Complex, Read 2 Complex".format(map_statistics_pair['success_1_complex_2_complex'])) LOG.info("") LOG.info(" {:>10} TOTAL FAILURES".format(map_statistics_pair['fail_cannot_map'])) LOG.info(" {:>10} Cannot Map".format(map_statistics_pair['fail_cannot_map'])) LOG.info("") LOG.info("BAM File Converted") # # Functions dealing with CIGAR strings # # # BAM OP Description # 0 M alignment match # 1 I insertion to reference # 2 D deletion from reference. region deleted from reference genome # 3 N skipped region from the reference # 4 S soft clipping (clipped sequence present in SEQ) # 5 H hard clipping (clipped sequences NOT present in SEQ) # 6 P padding (silent deletion from padded reference) # 7 = sequence match # 8 X sequence mismatch # def cigarlist_to_cigarstring(cigar_list): """ Convert a list of tuples into a cigar string. Example:: [ (0, 10), (1, 1), (0, 75), (2, 2), (0, 20) ] => 10M 1I 75M 2D 20M => 10M1I75M2D20M :param cigar_list: a list of tuples (code, length) :type cigar_list: list :return: the cigar string :rtype: string :raises: :class:`.exceptions.G2GCigarFormatError` on invalid cigar string """ cigar = '' if isinstance(cigar_list, Cigar): try: for i in cigar_list: cigar += str(i.length) + i.code except KeyError: raise G2GCigarFormatError("Invalid cigar code: " + str(i)) else: try: for i in cigar_list: cigar += str(i[1]) + CIGAR_N2C[i[0]] except KeyError: raise G2GCigarFormatError("Invalid cigar code: " + str(i)) return cigar def cigar_to_string(cigar): """ Convert a list of tuples into a cigar string. Example:: [ (0, 10), (1, 1), (0, 75), (2, 2), (0, 20) ] => 10M 1I 75M 2D 20M => 10M1I75M2D20M :param cigar_list: a list of tuples (code, length) :type cigar_list: list :return: the cigar string :rtype: string :raises: :class:`.exceptions.G2GCigarFormatError` on invalid cigar string """ cigar = '' try: for i in cigar: cigar += str(i.length) + i.code except KeyError: raise G2GCigarFormatError("Invalid cigar code: " + str(i)) return cigar def _cigar_to_list(cigar_string): """ Convert a list of tuples into a cigar string Example:: 10M1I75M2D20M => 10M 1I 75M 2D 20M => [ (0, 10), (1, 1), (0, 75), (2, 2), (0, 20) ] :param cigar_string: a cigar string :return: a list of tuples (code, length) :rtype: list :raises: :class:`.exceptions.G2GCigarFormatError` on invalid cigar string """ matches = REGEX_CIGAR.findall(cigar_string) possible_length = len(REGEX_CIGAR_LENGTH.findall(cigar_string)) if len(matches) != possible_length: raise G2GCigarFormatError("Invalid cigar string: {0}".format(cigar_string)) lst = [] try: for m in matches: lst.append(1)#(CIGAR_CODES_REV[m[1]], int(m[0]))) except KeyError: raise G2GCigarFormatError("Invalid cigar string: {0} : {1} ".format(cigar_string, str(m))) return lst def _cigar_convert(cigar, chromosome, chain, strand='+', position=0): """ PHASE 1 Convert each CIGAR element to new mappings and construct an array on NEW cigar elements For example, depending on the Intervals in the CHAIN file, let's say we have the following CIGAR string: 35M49N65M This could get converted into 35M ==> 4M150D31M 49N ==> -1N (remember, surrounding M's are used to find the length of N which is done on next pass) 65M ==> 65M First pass yields: 35M49N65M => 4M150D31M-1N65M :param cigar: :param chromosome: :param chain: :param strand: :param position: :return: """ cigar_new = [] current_pos = position cigar_no = 0 for c in cigar: cigar_no += 1 LOG.debug("Element #{0}, '{1}{2}' specified, location: {3}".format(cigar_no, c[1], CIGAR_N2C[c[0]], current_pos)) increment = c[1] if c[0] == CIGAR_m: new_mappings = chain.find_mappings(chromosome, current_pos, current_pos + c[1]) if not new_mappings: LOG.debug("Mappings: None") cigar_new.append(Cigar(CIGAR_S, c[1], 0, 0)) elif len(new_mappings) == 1: LOG.debug("Mappings: Easy: {0}".format(new_mappings[0])) cigar_new.append(Cigar(CIGAR_M, new_mappings[0].to_end - new_mappings[0].to_start, new_mappings[0].to_start, new_mappings[0].to_end)) else: # multiple maps, not so easy last = None for m in new_mappings: LOG.debug("Mappings: Multiple: {0}".format(m)) if not last: last = m if current_pos < m.from_start: # special case of first match not in interval, handle accordingly LOG.debug("Adding 'S', because {0} < {1}".format(current_pos, m.from_start)) cigar_new.append(Cigar(CIGAR_S, m.from_start - current_pos, 0, 0)) else: if m.from_start != last.from_end: LOG.debug("Adding 'M' and 'I', because {0} != {1}".format(m.from_start, last.from_end)) cigar_new.append(Cigar(CIGAR_M, last.to_end - last.to_start, last.to_start, last.to_end)) cigar_new.append(Cigar(CIGAR_I, m.from_start - last.from_end, last.to_start, last.to_end)) elif m.to_start != last.to_end: LOG.debug("Adding 'M' and 'D', because {0} != {1}".format(m.to_start, last.to_end)) cigar_new.append(Cigar(CIGAR_M, last.to_end - last.to_start, last.to_start, last.to_end)) cigar_new.append(Cigar(CIGAR_D, m.to_start - last.to_end, 0, 0)) last = m LOG.debug("Adding 'M'") cigar_new.append(Cigar(CIGAR_M, last.to_end - last.to_start, last.to_start, last.to_end)) elif c[0] == CIGAR_i: LOG.debug("Adding 'I' and 'D'") cigar_new.append(Cigar(CIGAR_I, c[1], 0, 0)) cigar_new.append(Cigar(CIGAR_D, -1, 0, 0)) increment = 0 elif c[0] == CIGAR_d: LOG.debug("Adding 'D'") cigar_new.append(Cigar(CIGAR_D, -1, 0, 0)) elif c[0] == CIGAR_n: LOG.debug("Adding 'N'") cigar_new.append(Cigar(CIGAR_N, -1, 0, 0)) elif c[0] in [CIGAR_s, CIGAR_h]: LOG.debug("Adding '{0}'".format(CIGAR_N2C[c[0]])) cigar_new.append(Cigar(CIGAR_N2C[c[0]], c[1], 0, 0)) else: # other LOG.debug("OTHER CODE '{0}' found, looking at {1} at {2}".format(CIGAR_N2C[c[0]], c, current_pos)) raise G2GCigarFormatError("ERROR: Not handling the values in this cigar string: {0}".format(cigar)) #current_pos += c[1] current_pos += increment LOG.debug("Current CIGAR: {0}".format(cigar_new)) return cigar_new def _cigar_combine_consecutive(cigar): """ Combine consecutive features in a cigar string. For example, 2 N's become 1 :param cigar: :return: """ done = False while not done: done = True for i in xrange(0, len(cigar)-1): LOG.debug("{0}={1}".format(i, cigar[i])) LOG.debug("{0}={1}".format(i+1, cigar[i+1])) if cigar[i].code == cigar[i+1].code: done = False break if not done: cigar_temp = [] cigar_temp.extend(cigar[:i]) cm1 = cigar[i] cm2 = cigar[i+1] cm_new = Cigar(cm1.code, cm1.length + cm2.length, cm1.start, cm2.end) cigar_temp.append(cm_new) LOG.debug("Found consecutive elements {0} and {1}, combined into {2}".format(cm1, cm2, cm_new)) cigar_temp.extend(cigar[i+2:]) cigar = cigar_temp return cigar def _cigar_fix_pre_and_post_M(cigar): """ :param cigar: :return: """ # pre M to S fix for i in xrange(0, len(cigar)): if cigar[i].code == CIGAR_M: break if i != 0: first_m = i length = 0 for i in xrange(0, first_m): if cigar[i].code in [CIGAR_I, CIGAR_S, CIGAR_H]: length += cigar[i].length temp_cigar = [Cigar(CIGAR_S, length, 0, 0)] temp_cigar.extend(cigar[i+1:]) cigar = temp_cigar # post M to S fix for i in reversed(xrange(0, len(cigar))): if cigar[i].code == CIGAR_M: break if i > 0 and i != (len(cigar) - 1): last_m = i length = 0 for i in xrange(last_m+1, len(cigar)): if cigar[i].code in [CIGAR_M, CIGAR_I, CIGAR_S]: length += cigar[i].length temp_cigar = [] temp_cigar.extend(cigar[:i-1]) temp_cigar.append(Cigar(CIGAR_S, length, 0, 0)) cigar = temp_cigar return cigar def _cigar_remove_softs_between_m(cigar): """ Remove soft if surrounded by Ms :param cigar: :return: """ done = False while not done: done = True for i in xrange(1, len(cigar)-1): if cigar[i].code == CIGAR_S: done = False break if done: break before = None after = None for x in reversed(xrange(i)): if cigar[x].code == CIGAR_M: before = cigar[x] break for x in xrange(i+1, len(cigar)): if cigar[x].code == CIGAR_M: after = cigar[x] break if before and after: LOG.debug("Found 'S' between 'M' so removing 'S'") cigar_temp = [] cigar_temp.extend(cigar[:i]) cigar_temp.extend(cigar[i+1:]) cigar = cigar_temp LOG.debug(cigar) else: done = True return cigar def _cigar_fix_lengths(cigar, sequence): """ :return: """ # Assign length to -1's # # Since N's aren't mapped we look at the surrounding M's to find the length of the N's # # Example: 35M49N65M ==> 4M150D31M-1N65M, the -1 will be corrected by finding the last position of the previous # M and first position of the next M # # there are a few special cases that are handled # since there were multiple mappings, we will need to figure out the location on the N's done = False while not done: done = True # find first element without a length i = 0 for cm in cigar: if cm.length == -1: break i += 1 if i == len(cigar): done = True break LOG.debug("Found '{0}' at {1}: {2}".format(cm.code, i, cm)) before = None after = None # Simple case is surrounded by mapping positions, but might not be the case for x in reversed(xrange(i)): if cigar[x].code == CIGAR_M: before = cigar[x] break for x in xrange(i+1, len(cigar)): if cigar[x].code == CIGAR_M: after = cigar[x] break # special case of 89M2000N11M # what happens when thi sis converted to 89M-1N11S (no M at end) # we should have 89M11S LOG.debug("Before: {0}".format(before)) LOG.debug("After: {0}".format(after)) # check if all cigar elements from here to end do not have a length a = i while a < len(cigar) - 1: if cigar[a].length != -1: break a += 1 # if a == len(cigar_mapping) -1 than all the rest have no length LOG.debug("a={0}, len(cigar_mapping) - 1={1}".format(a, len(cigar) - 1)) if (a == len(cigar) - 1 and cigar[a].start == -1) or not after or not before: # take the rest as a clip LOG.debug("Found a clip") temp_cigar_mappings = cigar[:i] temp_total = 0 for t in temp_cigar_mappings: if t.code in [CIGAR_M, CIGAR_I, CIGAR_S]: temp_total += t.length temp_cigar_mappings.append(Cigar(CIGAR_S, len(sequence) - temp_total, -1, -1)) cigar = temp_cigar_mappings done = True else: c = cigar[i] new_c = Cigar(c.code, after.start - before.end, before.end, after.start) LOG.debug("Replacing, old = {0}, new = {1}".format(c, new_c)) cigar[i] = new_c done = False LOG.debug("Removing 0 length elements, if any") new_cigar = [] for cm in cigar: if cm[1] == 0: LOG.debug("Removing {}".format(cm)) continue new_cigar.append(cm) return new_cigar def convert_cigar(cigar, chromosome, chain, sequence, strand='+', position=0): """ Generate the cigar string of an old alignment. P1: Map M with bx; Inherit S and H; Inherit I but put -1D right behind it; Put -1D or -1N when it’s there. P1a: Convert xM, if it has zero length after mapping, to xS P2: Remove S (including new S originate from unmapped M) if it is surrounded by any pair of consecutive Ms that survived P2 P3: Adjust the size of D or N that are inbetween Ms. Remove it if they have zero length. P4: Combine duplicated entries (I guess mostly M or S) P5: Put yS for the unmapped regions before the first M and/or after the last M (I believe adding S, H, I’s in those regions should get you y). In this phase remove the remaining -1D or -1N in those regions first. :param old_alignment: the old alignment :type old_alignment: :class:`pysam.AlignedRead` :param chromosome: the chromosome :type chromosome: string :param chain: the chain file :type chain: the chain file :return: a new cigar string based upon the mappings :raises: :class:`.exceptions.G2GCigarFormatError` on invalid cigar string """ old_cigar = cigarlist_to_cigarstring(cigar) LOG.debug("CIGAR CONVERSION : {0}".format(old_cigar)) # # PHASE 1: Convert each CIGAR element to new mappings and construct an array on NEW cigar elements # LOG.debug("CIGAR CONVERSION : PHASE 1 : Converting cigar elements") new_cigar = _cigar_convert(cigar, chromosome, chain, strand, position) LOG.debug("AFTER PHASE 1 : {0} ".format(new_cigar)) if len(new_cigar) == 1: LOG.debug("CIGAR CONVERSION : Skipping to end since only 1 element") else: # # PHASE 2: Remove S if surrounded by M # LOG.debug("CIGAR CONVERSION : PHASE 2 : Remove S if surrounded by M") new_cigar = _cigar_remove_softs_between_m(new_cigar) LOG.debug("AFTER PHASE 2 : {0} ".format(new_cigar)) # # PHASE 3: Fix element lengths # LOG.debug("CIGAR CONVERSION : PHASE 3 : Fix element lengths") new_cigar = _cigar_fix_lengths(new_cigar, sequence) LOG.debug("AFTER PHASE 3 : {0} ".format(new_cigar)) # # PHASE 4: Combine consecutive matching elements # LOG.debug("CIGAR CONVERSION : PHASE 4 : Combining elements") new_cigar = _cigar_combine_consecutive(new_cigar) LOG.debug("AFTER PHASE 4 : {0} ".format(new_cigar)) # # PHASE 5: Combine consecutive matching elements # LOG.debug("CIGAR CONVERSION : PHASE 5 : Fix pre and post Ms") new_cigar = _cigar_fix_pre_and_post_M(new_cigar) LOG.debug("AFTER PHASE 5 : {0} ".format(new_cigar)) # # Final pass through CIGAR string # # test cigar string length # # SEQ: segment SEQuence. This field can be a '*' when the sequence is not stored. If not a '*', # the length of the sequence must equal the sum of lengths of M/I/S/=/X operations in CIGAR. # An '=' denotes the base is identical to the reference base. No assumptions can be made on the # letter cases. # LOG.debug("CIGAR CONVERSION : PHASE 6 : Testing length and conversion") cigar_seq_length = 0 # simplify the cigar, throw away the other stuff we used simple_cigar = [] for c in new_cigar: simple_cigar.append((CIGAR_C2N[c.code], c.length)) if c.code in [CIGAR_M, CIGAR_I, CIGAR_S, CIGAR_E, CIGAR_X]: cigar_seq_length += c.length if cigar_seq_length != len(sequence): LOG.debug("CIGAR SEQ LENGTH={0} != SEQ_LEN={1}".format(cigar_seq_length, len(sequence))) # not equal according to chain file format, add the clipping length simple_cigar.append((CIGAR_s, len(sequence) - cigar_seq_length)) if old_cigar != cigar_to_string(simple_cigar): LOG.debug("old cigar != new cigar") else: LOG.debug("old cigar == new cigar") LOG.debug("CIGAR CONVERSION : {0} ==> {1}".format(old_cigar, cigar_to_string(simple_cigar))) LOG.debug(simple_cigar) return simple_cigar if __name__ == '__main__': from .g2g_utils import get_logger, configure_logging configure_logging(10) LOG = get_logger() cigarstring = '5I3D4M9D3S104M7D2I' cigarlist = _cigar_to_list(cigarstring) LOG.debug(cigarstring) print cigarlist cigar_new = _cigar_remove_softs_between_m(cigarlist) #cigar_new = _cigar_fix_pre_and_post_M(cigarlist) print cigar_to_string(cigar_new) print cigar_new
everestial/g2gtools
g2gtools/bamsam.py
Python
gpl-3.0
41,096
[ "pysam" ]
114bf5bee3b6a23008de3699c0e7758f486a5d92ced2ed5ba48c5dd33f1e0ffb
#Cancer Sim from numpy import * import scipy as sp import pylab as py import math import matplotlib.cm as cm import matplotlib.colors as colors import matplotlib.colorbar as cb import matplotlib.pyplot as plt import cPickle as pickle from scipy.spatial.distance import euclidean from math import pow from scipy.spatial import Delaunay #from scipy.spatial import KDTree from scipy.spatial import cKDTree from hybridKDTree import KDTree import random import time import pprint #XSIZE = 20 #YSIZE = 20 from neighborlist import NeighborList from helper import norm, unitize, disp_func, unitize_arr import links, cells from logger import logger base_logger = logger.getChild('cancer') base_logger.info('Inside the cancer.py module') ######################################################## ### Simulation Class ################################### ######################################################## #try to speed things up a little bit from scipy import zeros_like, nan_to_num, allclose import numexpr as ne import os if 'CANCERC' in os.environ: CANCERC = True #import pyximport #pyximport.install() from forcefunccelltypes import force_func_hertz, force_func_basal, norm, disp_func base_logger.info('CYTHON SUPPORT') else: CANCERC = False force_func_basal = None force_func_hertz = None base_logger.info('NO CYTHON SUPPORT') class CancerSim: """ The main Cancer Simulation Class. Creates an array of Cells, allows for the designation of cancer cells And the evolution of the cells thereafter. """ def __init__(self,config): """ Initialize the simulation """ #load the configs self.config = config self.XSIZE = config['XSIZE'] self.YSIZE = config['YSIZE'] self.boxsize = (self.XSIZE,self.YSIZE) if config['seed'] is None: self.seed = int(time.time()) else: self.seed = config['seed'] self.xi = config['force_cutoff'] self.a = config['force_magnitude'] self.basalstrength = config['force_magnitude_basal'] self.basalcutoff = config['force_cutoff_basal'] self.basal_height = config['basal_height'] self.basal_wavenumber = config['basal_wavenumber'] self.basal_amplitude = config['basal_amplitude'] self.pressure_filename = config['pressure_filename'] self.cancer_evolution_filename = config['cancer_evolution_filename'] sp.random.seed(self.seed) random.seed(self.seed) #KDTree #self._kdtree = None #self._kdtree_cache_T = -1 self._updated = True self.T = 0 # cell types (should be arguments) self.cancer = cells.CellType(**config['cancer_cell_params']) self.epidermal = cells.CellType(**config['epidermal_cell_params']) self.basal = cells.CellType(**config['basal_cell_params']) self.dermal = cells.CellType(**config['dermal_cell_params']) self.corneum = cells.CellType(**config['stratum_corneum_cell_params']) self.num_cells = 0 # containers self.links = links.Links() self._cell_arr = sp.array([]) self.cells = [] self._ghosts = [] self._ghost_cutoff = 4 self._ghost_offset = sp.array([self.boxsize[0],0.]) self.cancer_cells = [] self.logger = base_logger.getChild('CancerSim') self.logger.info('Initializing CancerSim') self.neighs = None def _setup(self): self._triang_lattice() self.jiggle(sigma=self.config['jiggle_sigma']) self.delaunay() self._freeze_links() XSIZE, YSIZE = self.boxsize period = 2*3.141592*self.basal_wavenumber/XSIZE self.add_cancer_cell([self.XSIZE/2.+self.config['first_cancer_cell_xoffset'], self.basal_height + self.basal_amplitude*sin((self.XSIZE/2+self.config['first_cancer_cell_xoffset'])*period) + self.config['first_cancer_cell_yoffset']], self.config['first_cancer_cell_radius']) def _triang_lattice(self): """ Create a triangular grid of points """ XSIZE, YSIZE = self.boxsize period = 2*3.141592*self.basal_wavenumber/XSIZE self.logger.info('Setting up the Triangular Lattice...') #setup the epicells epispacing = self.epidermal.L xspace,yspace = epispacing , epispacing * sp.sqrt(3) for i in sp.arange(0,XSIZE,xspace): for ind,j in enumerate(sp.arange(self.basal_height-self.basal_amplitude+5.0*self.basalcutoff,YSIZE,yspace)): if ind: pass if j >= self.basal_height+self.basal_amplitude*sin(i*period)+5.0*self.basalcutoff : cell1 = cells.Cell([i,j],self.epidermal,self.num_cells) #print 'added epicell at', i, j self.add_cell(cell1) if (j+0.5*yspace) > self.basal_height+self.basal_amplitude*sin((i+0.5*xspace)*period) : cell2 = cells.Cell([i+0.5*xspace,j+0.5*yspace],self.epidermal,self.num_cells) #print 'added epicell at', i+0.5*xspace, j+0.5*yspace self.add_cell(cell2) #add ghosts for first few layers if i<self._ghost_cutoff: if ind: if j >= self.basal_height+self.basal_amplitude*sin(i*period)+5.0*self.basalcutoff : ghost1 = cells.GhostCell(cell1,XSIZE,1) self._ghosts.append(ghost1) if (j+0.5*yspace) > self.basal_height+self.basal_amplitude*sin((i+0.5*xspace)*period) : ghost2 = cells.GhostCell(cell2,XSIZE,1) self._ghosts.append(ghost2) #add ghosts for last few layers if i>(XSIZE-self._ghost_cutoff): if ind: if j >= self.basal_height+self.basal_amplitude*sin(i*period)+5.0*self.basalcutoff : ghost1 = cells.GhostCell(cell1,XSIZE,-1) self._ghosts.append(ghost1) if (j+0.5*yspace) > self.basal_height+self.basal_amplitude*sin((i+0.5*xspace)*period) : ghost2 = cells.GhostCell(cell2,XSIZE,-1) self._ghosts.append(ghost2) #setup the bottom cells dermalspacing = self.dermal.L xspace,yspace = dermalspacing , dermalspacing*sp.sqrt(3) for i in sp.arange(0,XSIZE,xspace): for ind,j in enumerate(sp.arange(self.basal_height+self.basal_amplitude-5.0*self.basalcutoff,0,-yspace)): if j<= self.basal_height+self.basal_amplitude*sin(i*period)-5.0*self.basalcutoff : cell1 = cells.Cell([i,j],self.dermal,self.num_cells) #print 'added dermacell at', i, j self.add_cell(cell1) if ind and (j+0.5*yspace) <= self.basal_height+self.basal_amplitude*sin((i+0.5*xspace)*period)-5.0*self.basalcutoff: cell2 = cells.Cell([i+0.5*xspace,j+0.5*yspace],self.dermal,self.num_cells) #print 'added dermacell at', i+0.5*xspace, j+0.5*yspace self.add_cell(cell2) #add ghosts for first few layers if i<self._ghost_cutoff: if j<= self.basal_height+self.basal_amplitude*sin(i*period)-5*self.basalcutoff : ghost1 = cells.GhostCell(cell1,XSIZE,1) ghost2 = cells.GhostCell(cell2,XSIZE,1) self._ghosts.extend([ghost1,ghost2]) #add ghosts for last few layers if i>(XSIZE-self._ghost_cutoff): if j<= self.basal_height+self.basal_amplitude*sin(i*period)-5.0*self.basalcutoff : ghost1 = cells.GhostCell(cell1,XSIZE,-1) ghost2 = cells.GhostCell(cell2,XSIZE,-1) self._ghosts.extend([ghost1,ghost2]) #setup the middle cells basalspacing = self.basal.L for i in sp.arange(0,XSIZE,basalspacing/2): cell = cells.Cell([i,self.basal_height+self.basal_amplitude*sin(i*period)],self.basal,self.num_cells) #print 'added basalcell at', i, self.basal_height+self.basal_amplitude*sin(i*period) self.add_cell(cell) if i<self._ghost_cutoff: ghost = cells.GhostCell(cell,XSIZE,1) self._ghosts.append(ghost) if i>(XSIZE-self._ghost_cutoff): ghost = cells.GhostCell(cell,XSIZE,-1) self._ghosts.append(ghost) #setup the corneum cells corneumspacing = self.corneum.L for i in sp.arange(0,XSIZE,corneumspacing): cell = cells.Cell([i,YSIZE+2.0*self.basalcutoff],self.corneum,self.num_cells) #print 'added corneumcell at', i, YSIZE self.add_cell(cell) if i<self._ghost_cutoff: ghost = cells.GhostCell(cell,XSIZE,1) self._ghosts.append(ghost) if i>(XSIZE-self._ghost_cutoff): ghost = cells.GhostCell(cell,XSIZE,-1) self._ghosts.append(ghost) self.logger.info('Set up the Triangular Lattice') def get_pos_arr(self,force=False): """ Get an array of all of the cell positions """ #if self._updated is False or force: # return self._cell_arr self._cell_arr = sp.zeros((len(self.cells),2)) for (i,cell) in enumerate(self.cells): self._cell_arr[i] = cell.pos self._updated = False return self._cell_arr def get_radius_arr(self): rad_arr=sp.zeros(len(self.cells)) for (i,cell) in enumerate(self.cells): rad_arr[i] = cell.radius return rad_arr def _get_kdtree(self,force=False,new=True): """ Generate a KDTree for the cells, allows for efficient geometric neighbor computation """ #if new or self._kdtree_cache_T != self.T or self._updated: pos = self.get_pos_arr(force).copy() _kdtree = KDTree(pos) return _kdtree def _get_ckdtree(self,force=False): """ Generate a cKDTree """ pos = self.get_pos_arr(force).copy() return cKDTree(pos) def _query_point(self,x,r,eps=None): """ Get all of the cell inds near point, with radius r """ kdtree = self._get_kdtree() if eps: cell_inds = kdtree.query_ball_point(x,r,eps) else: cell_inds = kdtree.query_ball_point(x,r) cells = [ self.cells[ind] for ind in cell_inds ] return cells def _get_vel_arr(self): """ Get an array of all of the cell velocities """ vel_arr = sp.zeros((self.num_cells,2)) for (i,cell) in enumerate(self.cells): vel_arr[i] = cell.vel return vel_arr def _update_pos(self,pos_arr): """ Update all of the cell positions with an array """ for (pos,cell) in zip(pos_arr,self.cells): #enact the periodic boundary conditions pos[0] = pos[0]%self.XSIZE cell.pos = pos self._cell_arr = pos_arr #self._updated = True def _update_vel(self,vel_arr): """ Update all of the cell velocities with an array """ for (vel,cell) in zip(vel_arr,self.cells): cell.vel = vel def _get_ghost_pos_arr(self): """ Get all of the ghost positions """ arr = sp.zeros((len(self._ghosts),2)) for ind,cell in enumerate(self._ghosts): arr[ind] = cell.pos return arr def _update_ghosts(self): """ Update the positions of all of the ghost cells """ for ghost in self._ghosts: ghost.update() def jiggle(self,sigma=0.1,ghosts=True): """ Jiggle the atom positions """ pos = self.get_pos_arr() sigarr = sp.array([cell.type.L for cell in self.cells]) randn = sp.randn(self.num_cells,2) newpos = pos + sigma*(sigarr*randn.T).T self._update_pos(newpos) self._updated = True if ghosts: self._update_ghosts() self.logger.info('Jiggled the atoms') def _set_radii(self): """ set radii as the average of the links starting from each cell """ for cell in [cell for cell in self.cells if cell.type == self.epidermal]: average_length=0.0 count=0. for neigh in self.links.get_neighbors(cell): average_length += self.links.get_link(cell,neigh).L/2.0 count += 1. if count: cell.radius=average_length/count for cell in [cell for cell in self.cells if cell.type == self.dermal]: cell.radius=self.epidermal.L/2.0 def _set_radii_min(self): """ set radii as the smallest link size """ for cell in [cell for cell in self.cells if cell.type == self.epidermal]: min_length = min([link.L/2. for link in self.links.get_links(cell)]) #rint min_length cell.radius=min_length for cell in [cell for cell in self.cells if cell.type == self.dermal]: cell.radius=self.epidermal.L/2.0 def _freeze_links(self): """ Adjust all of the links to be their current extension """ for link in self.links: link.L = link.extension_without_breaking() if (link.one.type.name == 'Dermal'): if (link.two.type.name == 'Basal') : print link.one, link.two, link.L if (link.one.type.name == 'Epidermal'): if (link.two.type.name == 'Basal') : print link.one, link.two, link.L self._set_radii_min() self.logger.info('Froze the links in place') def _filter_ghosts(self,one,two): if isinstance(one,cells.GhostCell) and isinstance(two,cells.GhostCell): raise Exception("DoubleGhost") elif isinstance(one,cells.GhostCell): return one.original,two elif isinstance(two,cells.GhostCell): return one,two.original else: return one,two def _clear_links(self): """ Clear all Links """ self.links = links.Links() def delaunay(self): """ Delaunay routine, sets the initial links """ self.logger.debug('Running the Delaunay routine') #first get the positions of all the cells and the ghosts num_cells = len(self.cells) num_ghosts = len(self._ghosts) fulllist = self.cells + self._ghosts num_full = len(fulllist) arr = sp.zeros((num_full,2)) for ind,cell in enumerate(fulllist): arr[ind] = cell.pos #get the Delaunay construction tri = Delaunay(arr) #add the links for i,j,k in tri.vertices: cellone = fulllist[i] celltwo = fulllist[j] cellthree = fulllist[k] length_of_bond = norm(cellone.pos - celltwo.pos) expected_length = 0.5*(cellone.type.L + celltwo.type.L) if length_of_bond < 2*expected_length: try: one,two = self._filter_ghosts(cellone,celltwo) self.add_bond(one,two) except Exception, e: if e.message=="DoubleGhost": pass else: raise try: one,two = self._filter_ghosts(celltwo,cellthree) self.add_bond(one,two) except Exception, e: if e.message=="DoubleGhost": pass else: raise try: one,two = self._filter_ghosts(cellthree,cellone) self.add_bond(one,two) except Exception, e: if e.message=="DoubleGhost": pass else: raise def add_cell(self,cell): """ Add the cell: cell """ self.cells.append(cell) self.num_cells += 1 self._updated = True self.logger.debug('Adding the cell {cell}'.format(cell=cell)) def add_bond(self,one,two): """ Add a bond between cells one and two """ self.links.add_link(one,two,xsize=self.XSIZE) self.logger.debug('Adding a bond between {one} and {two}'.format(one=one,two=two)) def remove_bond(self,one,two): """ Remove a bond between cells one and two """ self.links.remove_link(one,two) self.logger.debug('Removed the link between {one} and {two}'.format(one=one,two=two)) def remove_cell(self,cell): """ Remove the cell: cell, and all bonds for that cell """ self.cells.remove(cell) self.links.remove_cell(cell) self.logger.debug('Removed the cell {cell}'.format(cell=cell)) def get_neighbors(self,cell): """ Get the linked neighbor cells of cell """ return self.links.get_neighbors(cell) def add_cancer_cell(self,x,r,eps=None): file=open(self.cancer_evolution_filename,'a') """ randomly make a cell a cancer cell """ cells = self._query_point(x,r,eps) cells = [cell for cell in cells if cell.type != self.basal] if cells: cell = random.choice(cells) self.cancer_cells.append(cell) self.links.remove_cell(cell) cell.type = self.cancer s = str(cell.pos[0]) + ' ' + str(cell.pos[1]) + '\n' file.write(s) self.logger.info('Added a cancer cell: {cell}'.format(cell=cell)) self._updated = True else: raise Exception("No targets found at {} within radius {}".format(x,r)) file.close def duplicate_cancer_cell(self,cancer=None,disp_frac = 0.01): """ Duplicate the cancer cell: cancer """ if cancer is None: cancer = random.choice(self.cancer_cells) file=open(self.cancer_evolution_filename,'a') self.logger.info('Duplicating a cancer cell...') #need to choose a random direction and do the relaxation L = disp_frac * cancer.type.L theta = sp.rand()*2*sp.pi disp = L * sp.array([sp.sin(theta),sp.cos(theta)]) newcell = cells.Cell(cancer.pos + disp,self.cancer,self.num_cells) newcell.radius = cancer.radius cancer.pos = cancer.pos - disp s = str(cancer.pos[0]) + ' ' + str(cancer.pos[1]) + '\n' file.write(s) self.cancer_cells.append(newcell) self.add_cell(newcell) """ neighs = self.links.get_neighbors(cancer).copy() for neigh in neighs: link_disp = neigh.pos - cancer.pos if sp.vdot(link_disp,disp) >= 0: #remove old link, create new one. self.links.remove_link(cancer,neigh) self.links.add_link(newcell,neigh) """ #self.links.add_link(newcell,cancer) self._updated = True file.close def time_step(self): """ Run a time step, duplicate a cancer cell, do a FIRE relaxation, and plot """ self.logger.info('Running a time step') self.duplicate_cancer_cell() self.fire() self.plot_sized_cells() self.T += 1 def plot_cells(self,clf=True,fignum=1,ghosts=False,*args,**kwargs): """ Plot the current configuration """ self.logger.info('Plotting the cells') pos_arr = self.get_pos_arr() py.figure(fignum) if clf: py.clf() py.scatter(pos_arr[:,0],pos_arr[:,1], c=[i.type.color for i in self.cells], s=50, zorder=10, *args,**kwargs) if ghosts: ghost_arr = self._get_ghost_pos_arr() py.scatter(ghost_arr[:,0],ghost_arr[:,1], c = [i.original.type.color for i in self._ghosts], s = 30, zorder=10, alpha = 0.3, *args,**kwargs) py.axis('equal') def my_circle_scatter(self, axes, x_array, y_array, rad_array, col_array, **kwargs): for x, y, R, c in zip(x_array, y_array , rad_array, col_array): circle = py.Circle((x,y), radius=R, color = c, **kwargs) axes.add_patch(circle) return True def plot_sized_cells_old(self,clf=True,fignum=1,ghosts=False,*args, **kwargs): """ Plot the current configuration using circles""" self.logger.info('Plotting Sized Cells') pos_arr = self.get_pos_arr() rad_arr = self.get_radius_arr() col_arr = [i.type.color for i in self.cells] py.figure(fignum) if clf: py.clf() axes=py.axes() self.my_circle_scatter(axes, pos_arr[:,0], pos_arr[:,1], rad_arr, col_arr, alpha=0.6,**kwargs) if ghosts: ghost_arr = self._get_ghost_pos_arr() py.scatter(ghost_arr[:,0],ghost_arr[:,1], c = [i.original.type.color for i in self._ghosts], s = 30, zorder=10, alpha = 0.3, *args,**kwargs) py.xlim((0,self.XSIZE)) py.axis('equal') def plot_sized_cells(self,clf=True,fignum=1,ghosts=False,*args, **kwargs): """ Plot the current configuration using circles""" self.logger.info('Plotting Sized Cells') pos_arr = self.get_pos_arr() rad_arr = self.get_radius_arr() pos = self.get_pos_arr(force=True) pressure_arr = zeros_like(pos) #kdtree = self._get_kdtree(force=True) for i,j in self._get_npairs(): #kdtree.query_pairs(self.xi*1.0): force = self.force_func_celltypes(self.cells[i], self.cells[j] ) pressure_arr[i] += fabs(force) pressure_arr[j] += fabs(force) pressure_arr = nan_to_num(pressure_arr) #print "\n" #print pressure_arr #print "\n" cancer_cell_pressures = empty(len(self.cancer_cells)) numero_cancer = 0 numero_cell = 0 for i in self.cells: if i.type.name == 'Cancer' : cancer_cell_pressures[numero_cancer]=norm(pressure_arr[numero_cell])/(3.141592*rad_arr[numero_cell]*rad_arr[numero_cell]) numero_cancer = numero_cancer + 1 numero_cell = numero_cell + 1 #printing stress on file file=open(self.pressure_filename,'a') #factor is 4/3( E/(1-nu^2)) = 3/2 kPa factor = 1.5 for i in range(0,len(cancer_cell_pressures)): s = str(i) + ' ' + str(cancer_cell_pressures[i]*factor) +'\n' file.write(s) s = '\n' file.write(s) #s = str(numero_cancer) + ' ' + str(cancer_cell_pressures.mean()) +'\n' #file.write(s) #s = '\n' file.close if len(cancer_cell_pressures)>1 : cancer_cell_pressures = (cancer_cell_pressures-cancer_cell_pressures.min())/(cancer_cell_pressures.max()-cancer_cell_pressures.min())*0.9+0.1 #print "\n" #print cancer_cell_pressures #print "\n" else : cancer_cell_pressures[0] = 0.5 #print '\n' #print cancer_cell_pressures #print '\n' col_arr = [] numero_cancer = 0 for i in self.cells: if i.type.name == 'Cancer' : rgb_color = cm.hot(1-cancer_cell_pressures[numero_cancer],1.0) col_arr.append(rgb_color) #print '\n' #print rgb_color , cancer_cell_forces[numero_cancer] #print '\n' numero_cancer = numero_cancer + 1 else : col_arr.append(i.type.color) #cb.Colorbar(col_arr,kwargs) #print '\n' #print col_arr #print '\n' #file=open(self.screenshot_filename,'a') #for i in range(0, len(pos_arr)): # s = self.cells[i].type.name + ' ' + str(pos_arr[i][0]) + ' ' + str(pos_arr[i][1]) + ' ' + str(rad_arr[i]) + ' ' + str(col_arr[i]) +'\n' # file.write(s) #file.close py.figure(fignum) if clf: py.clf() axes=py.axes() self.my_circle_scatter(axes, pos_arr[:,0], pos_arr[:,1], rad_arr, col_arr, alpha=0.6,**kwargs) if ghosts: ghost_arr = self._get_ghost_pos_arr() py.scatter(ghost_arr[:,0],ghost_arr[:,1], c = [i.original.type.color for i in self._ghosts], s = 30, zorder=10, alpha = 0.3, *args,**kwargs) py.xlim((0,self.XSIZE)) py.axis('equal') def plot_links(self,clf=False,cutoff=None,fignum=1,ghosts=False,*args,**kwargs): """ Plot the links between cells """ self.logger.info('Plotting Links') if cutoff is None: cutoff = self.XSIZE/2. py.figure(fignum) if clf: py.clf() #file=open(self.screenshot_filename,'a') for link in self.links: if link.C_10 > 0: #s = 'Link' + ' ' + str(link.one.pos[0]) + ' ' + str(link.one.pos[1]) + ' ' + str(link.two.pos[0]) + ' ' + str(link.two.pos[1]) +'\n' #file.write(s) d12=link.one.pos-link.two.pos abs_d12=norm(d12) if abs_d12 < cutoff: data = sp.array([ link.one.pos, link.two.pos ]) py.plot(data[:,0],data[:,1], c=py.cm.jet( min(link.energy*30.,1.) ), alpha=0.6, *args, **kwargs ) #file.close def _get_pairs(self): kdtree = self._get_kdtree(force=True) return kdtree.query_pairs(self.xi*1.0) def _get_cpairs(self,num=100): pos = self.get_pos_arr(force=True) ckdtree = self._get_ckdtree(force=False) ds,neighs = ckdtree.query(pos,num,distance_upper_bound=self.xi) pairs = set() N = len(neighs) for (i,j),k in sp.ndenumerate(neighs): # if cmp(i,k) < 1: # pairs.add((i,k)) # else: # pairs.add((k,i)) if k < N and (i,k) not in pairs and (k,i) not in pairs: pairs.add((i,k)) return pairs def _get_npairs(self): if self.neighs is None: self.neighs = NeighborList([self.xi]*self.num_cells) self.neighs.update(self) return ((i,j) for i in range(self.num_cells) for j in self.neighs.get_neighbors(i) ) @property def forces(self): """ get the forces between cells, as array, both from links and from the native force_func """ self.logger.info('Computing forces') pos = self.get_pos_arr(force=True) force_arr = zeros_like(pos) for link in self.links: force = link.force force_arr[link.one.index] += force force_arr[link.two.index] -= force #kdtree = self._get_kdtree(force=True) for i,j in self._get_npairs(): #kdtree.query_pairs(self.xi*1.0): force = self.force_func_celltypes(self.cells[i], self.cells[j] ) #disp = self.cells[i].pos - self.cells[j].pos #L = norm(disp) #force = 2 * self.a**4 * ( 2 * self.xi**2 - 3 * self.xi * L + L**2 )/( self.xi**2 * L**6 ) * disp force_arr[i] += force force_arr[j] -= force return nan_to_num(force_arr) def force_func(self,cell1,cell2): """ the native force function between two positions """ x1 = cell1.pos x2 = cell2.pos disp = x1 - x2 mod_disp = norm(disp) force = 2 * self.a**4 * ( 2 * self.xi**2 - 3 * self.xi * mod_disp + mod_disp**2 )/( self.xi**2 * mod_disp**6 ) * disp return force def force_func2(self,cell1,cell2): """ the native force function between two positions, second attempt """ x1 = cell1.pos x2 = cell2.pos r1 = cell1.radius r2 = cell2.radius disp = x1 - x2 mod_disp = norm(disp) a1=self.a*(r1+r2) xi1=self.xi*(r1+r2) force = 2 * a1**4 * ( 2 * xi1**2 - 3 * xi1 * mod_disp + mod_disp**2 )/( xi1**2 * mod_disp**6 ) * disp return force def force_func_hertz(self,cell1,cell2): """ the Hertz force between two cells """ x1 = cell1.pos x2 = cell2.pos r1 = cell1.radius r2 = cell2.radius disp = x1 - x2 mod_disp = norm(disp) delta=(r1+r2)-mod_disp if delta > 0.0: force = self.a*delta**1.5*disp/mod_disp else: force= 0.0 return force def force_func_celltypes_old(self,cell1,cell2): """ Try to case out the cell types """ x1 = cell1.pos x2 = cell2.pos #use the Cython dispfunc disp = disp_func(x1,x2,self.XSIZE) mod_disp = norm(disp) force = 0.0 if cell1.type==self.basal and cell2.type==self.basal: #We have two basal cells force = 0.0 elif cell1.type==self.basal or cell2.type==self.basal: #We have one basal cell if mod_disp <= self.basalcutoff: oldexpr = '2 * self.basalstrength**4 * ( 2 * self.basalcutoff**2 - 3 * self.basalcutoff * mod_disp + mod_disp**2 )/( self.basalcutoff**2 * mod_disp**6 ) * disp' basalstrength = self.basalstrength basalcutoff = self.basalcutoff forcestr = '2 * basalstrength**4 * ( 2 * basalcutoff**2 - 3 * basalcutoff * mod_disp + mod_disp**2 )/( basalcutoff**2 * mod_disp**6 ) * disp' force = ne.evaluate(forcestr) else: #We have some other situation r1 = cell1.radius r2 = cell2.radius delta=(r1+r2)-mod_disp if delta > 0: a = self.a oldexp = 'sqrt(r1*r2/(r1+r2)) * self.a * delta**1.5*disp/mod_disp' forcestr = 'sqrt(r1*r2/(r1+r2)) * a * delta**1.5*disp/mod_disp' force = ne.evaluate(forcestr) #print 'force', force return force def force_func_celltypes(self,cell1,cell2): """ Try to case out the cell types """ x1 = cell1.pos x2 = cell2.pos #use the Cython dispfunc disp = disp_func(x1,x2,self.XSIZE) mod_disp = norm(disp) force = 0.0 if cell1.type==self.basal and cell2.type==self.basal: #We have two basal cells force = 0.0 #elif cell1.type==self.basal or cell2.type==self.basal: #We have one basal cell # if mod_disp <= self.basalcutoff: # oldexpr = '2 * self.basalstrength**4 * ( 2 * self.basalcutoff**2 - 3 * self.basalcutoff * mod_disp + mod_disp**2 )/( self.basalcutoff**2 * mod_disp**6 ) * disp' # basalstrength = self.basalstrength # basalcutoff = self.basalcutoff # forcestr = '2 * basalstrength**4 * ( 2 * basalcutoff**2 - 3 * basalcutoff * mod_disp + mod_disp**2 )/( basalcutoff**2 * mod_disp**6 ) * disp' # force = ne.evaluate(forcestr) else: #We have some other situation r1 = cell1.radius r2 = cell2.radius min_radius = min(r1,r2) renormalized_r = r1*r2/(r1+r2) delta=(r1+r2)-mod_disp if delta > 0: omega = pow(delta/renormalized_r,1.5) a = self.a forcestr = 'sqrt(renormalized_r) * a * delta**1.5*(1 + 1.15*omega**0.34 +9.5*omega + 9.288*omega**2)/(1+2.3*omega)*disp/mod_disp' force = ne.evaluate(forcestr) #print cell1.type, cell2.type, 'delta:', delta else : if cell1.type==self.cancer and cell2.type==self.cancer: #alpha = 0.1 #forcestr = '-6*(alpha/(-delta))**7' if -delta<2.0 : forcestr = '0.001*delta' else : forcestr = '0.0' force = ne.evaluate(forcestr) print '\n' print cell1.type, cell2.type, 'delta<0:', delta, 'force:', force print '\n' return force def force_func_celltypes_cython(self,cell1,cell2): """ Try to case out the cell types """ x1 = cell1.pos x2 = cell2.pos if cell1.type==self.basal and cell2.type==self.basal: #We have two basal cells force = 0.0 elif cell1.type==self.basal or cell2.type==self.basal: #We have one basal cell force = force_func_basal(x1,x2,self.basalstrength,self.XSIZE) else: #We have some other situation r1 = cell1.radius r2 = cell2.radius force = force_func_hertz(x1,x2,r1,r2,self.a,self.XSIZE) return force @property def energy(self): """ get the energy of the current configuration """ tot_energy = 0 for link in self.links: tot_energy += link.energy return tot_energy def fire(self): """ Do a fire relaxation """ #load params fmax = self.config['fmax'] Nmin = self.config['Nmin'] finc = self.config['finc'] fdec = self.config['fdec'] alphastart = self.config['alphastart'] fa = self.config['fa'] deltatmax = self.config['deltatmax'] maxsteps = self.config['maxsteps'] alpha = alphastart deltat = 0.1 pos = self.get_pos_arr(force=True) v = sp.zeros_like(pos) self._update_vel(v) v = self._get_vel_arr() steps_since_negative = 0 def norm_arr_old(vec): return sp.sqrt(sp.sum(vec**2,1)) def unitize_arr_old(vec): return nan_to_num(((vec.T)/norm_arr(vec)).T) norm_arr = norm forces = nan_to_num(sp.array([ [sp.inf,sp.inf]])) step_num = 0 self.logger.info("Beginning FIRE Relaxation -- fmax={}".format(fmax)) maxdpos = 100000.0 while max(norm_arr(forces)) > fmax and step_num < maxsteps: forces = self.forces self.logger.debug("Computed forces: {forces}".format(forces=pprint.pformat(forces))) power = sp.vdot(forces,v) self.logger.info("Step: {}, max_force: {}, power: {}".format(step_num, max(norm_arr(forces)), power)) #DEBUG PRINTING #print "Step: {}, max_force: {}, power: {}, deltat: {}".format(step_num, # max(norm_arr(forces)), # power, deltat) v = nan_to_num( (1.0 - alpha)*v + alpha*(norm_arr(v)*unitize_arr(forces).T).T ) if power>0.: if steps_since_negative > Nmin: deltat = min(deltat * finc, deltatmax) alpha = alpha*fa steps_since_negative += 1 else: steps_since_negative = 0 deltat = deltat * fdec v *= 0. alpha = alphastart v += forces*deltat pos += v*deltat self._update_pos(pos) step_num += 1 #maxdpos = max(norm_arr(v*deltat)) #DEBUG PRINTING #print "Maximum position change = {}".format(maxdpos) #DEBUG_PLOT #self.plot_sized_cells() #self.plot_links() #self.plot_forces() #py.draw() self._update_pos(pos) self._update_vel(v) self.logger.info("Relaxation finished...") def save(self,filename): self.logger.info("SAVING state to {}".format(filename)) with open(filename,'w') as f: pickle.dump( (self.config, self.cells, self.links, self._ghosts, self.T ), f ) def vmd_out(self,filename): """ Write a VMD compatible file to filename """ with open(filename,'w') as f: positions = self.get_pos_arr(force=True) formatstring = "{color} {x} {y} {z}\n" for ind,row in enumerate(positions): f.write(formatstring.format(x=row[0], y=row[1], z=0, color=self.cells[ind].type.type_ind)) def plot_forces(self,factor=5): X,Y = self.get_pos_arr().T FX,FY = self.forces.T py.quiver(X,Y,FX,FY,scale=factor) #Some code for ASE neighborlist functionality def get_positions(self): return sp.hstack(( self.get_pos_arr(), sp.zeros((self.num_cells,1)) ) ) def get_pbc(self): return sp.array([True,False,False]) def get_cell(self): return sp.array([[self.XSIZE,0,0],[0,self.YSIZE,0],[0,0,1]]) def __len__(self): return self.num_cells def load_from_file(filename): with open(filename,'r') as f: config, cells, links, ghosts, T = pickle.load(f) Q = CancerSim(config) Q.cells = cells Q.ghosts = ghosts Q.T = T Q.links = links Q.cancer_cells = [cell for cell in cells if cell.type.name == "Cancer"] Q.num_cells = len(Q.cells) return Q if __name__ == "__main__": Q = CancerSim() Q._triang_lattice() Q.delaunay() Q._freeze_links() Q.add_cancer_cell([XSIZE/2.,YSIZE/2 + 3],1) Q.plot_cells() self = Q """ TODO: have links know about periodic boundary conditions (maybe) freeze links (DONE) Ghost cells need update method. (DONE) fire relaxation (DONE) set and divide cancer cells (DONE) long range forces (DONE) cache the link calcs cache the KDTree calcs? allow more transparent custimization expose CellTypes use logging module """
alexalemi/cancersim
code/cancer.py
Python
mit
39,321
[ "ASE", "VMD" ]
603caa6559b7876a06c99a04a3c4c1651095bc2a17f89a454ae8345175d6a4ad
""" Tests for the pipeline_info.py module """ # Author: Prabhu Ramachandran <prabhu@aero.iitb.ac.in> # Copyright (c) 2008, Prabhu Ramachandran Enthought, Inc. # License: BSD Style. import unittest from tvtk.api import tvtk from mayavi.core import pipeline_info class TestPipelineInfoTest(unittest.TestCase): def test_tvtk_dataset_name(self): "Can tvtk datasets can be converted to names correctly." datasets = [tvtk.ImageData(), tvtk.StructuredPoints(), tvtk.RectilinearGrid(), tvtk.StructuredGrid(), tvtk.PolyData(), tvtk.UnstructuredGrid(), tvtk.Property(), # Not a dataset! 'foo', # Not a TVTK object. ] expect = ['image_data', 'image_data', 'rectilinear_grid', 'structured_grid', 'poly_data', 'unstructured_grid', 'none', 'none' ] result = [pipeline_info.get_tvtk_dataset_name(d) for d in datasets] self.assertEqual(result, expect) def test_default_pipeline_info(self): "Is the default PipelineInfo class built right." p = pipeline_info.PipelineInfo() self.assertEqual(len(p.datasets), 0) self.assertEqual(len(p.attribute_types), 0) self.assertEqual(len(p.attributes), 0) if __name__ == '__main__': unittest.main()
dmsurti/mayavi
mayavi/tests/test_pipeline_info.py
Python
bsd-3-clause
1,524
[ "Mayavi" ]
260d4e4224de5be1f9d29a00b019db59342ff3e74ede643ad2a6835077575932
# pylint: disable=R0913,R0914,W0201,W0622,C0302,R0902,R0903,W1001,W0612,W0613 """Useful functions and objects used more or less everywhere.""" from __future__ import print_function from builtins import zip from builtins import str from builtins import range from builtins import object __author__ = "Lorenzo Bolla" import numpy import EMpy.constants import EMpy.materials import scipy.linalg import scipy.interpolate import scipy.optimize import time import sys class Layer(object): """A layer is defined by a material (iso or aniso) and a thickness.""" def __init__(self, mat, thickness): """Set the material and the thickness.""" self.mat = mat self.thickness = thickness def isIsotropic(self): """Return True if the material is isotropic, False if anisotropic.""" return self.mat.isIsotropic() def getEPSFourierCoeffs(self, wl, n, anisotropic=True): """Return the Fourier coefficients of eps and eps**-1, orders [-n,n].""" nood = 2 * n + 1 hmax = nood - 1 if not anisotropic: # isotropic EPS = numpy.zeros(2 * hmax + 1, dtype=complex) EPS1 = numpy.zeros_like(EPS) rix = self.mat.n(wl) EPS[hmax] = rix ** 2 EPS1[hmax] = rix ** -2 return EPS, EPS1 else: # anisotropic EPS = numpy.zeros((3, 3, 2 * hmax + 1), dtype=complex) EPS1 = numpy.zeros_like(EPS) EPS[:, :, hmax] = ( numpy.squeeze(self.mat.epsilonTensor(wl)) / EMpy.constants.eps0 ) EPS1[:, :, hmax] = scipy.linalg.inv(EPS[:, :, hmax]) return EPS, EPS1 def capacitance(self, area=1.0, wl=0): """Capacitance = eps0 * eps_r * area / thickness.""" if self.isIsotropic(): eps = EMpy.constants.eps0 * numpy.real(self.mat.n(wl).item() ** 2) else: # suppose to compute the capacitance along the z-axis eps = self.mat.epsilonTensor(wl)[2, 2, 0] return eps * area / self.thickness def __str__(self): """Return the description of a layer.""" return "%s, thickness: %g" % (self.mat, self.thickness) class BinaryGrating(object): """A Binary Grating is defined by two materials (iso or aniso), a duty cycle, a pitch and a thickness.""" def __init__(self, mat1, mat2, dc, pitch, thickness): """Set the materials, the duty cycle and the thickness.""" self.mat1 = mat1 self.mat2 = mat2 self.dc = dc self.pitch = pitch self.thickness = thickness def isIsotropic(self): """Return True if both the materials are isotropic, False otherwise.""" return self.mat1.isIsotropic() and self.mat2.isIsotropic() def getEPSFourierCoeffs(self, wl, n, anisotropic=True): """Return the Fourier coefficients of eps and eps**-1, orders [-n,n].""" nood = 2 * n + 1 hmax = nood - 1 if not anisotropic: # isotropic rix1 = self.mat1.n(wl) rix2 = self.mat2.n(wl) f = self.dc h = numpy.arange(-hmax, hmax + 1) EPS = (rix1 ** 2 - rix2 ** 2) * f * numpy.sinc(h * f) + rix2 ** 2 * (h == 0) EPS1 = (rix1 ** -2 - rix2 ** -2) * f * numpy.sinc(h * f) + rix2 ** -2 * ( h == 0 ) return EPS, EPS1 else: # anisotropic EPS = numpy.zeros((3, 3, 2 * hmax + 1), dtype=complex) EPS1 = numpy.zeros_like(EPS) eps1 = numpy.squeeze(self.mat1.epsilonTensor(wl)) / EMpy.constants.eps0 eps2 = numpy.squeeze(self.mat2.epsilonTensor(wl)) / EMpy.constants.eps0 f = self.dc h = numpy.arange(-hmax, hmax + 1) for ih, hh in enumerate(h): EPS[:, :, ih] = (eps1 - eps2) * f * numpy.sinc(hh * f) + eps2 * ( hh == 0 ) EPS1[:, :, ih] = ( scipy.linalg.inv(eps1) - scipy.linalg.inv(eps2) ) * f * numpy.sinc(hh * f) + scipy.linalg.inv(eps2) * (hh == 0) return EPS, EPS1 def capacitance(self, area=1.0, wl=0): """Capacitance = eps0 * eps_r * area / thickness.""" if self.isIsotropic(): eps = EMpy.constants.eps0 * numpy.real( self.mat1.n(wl) ** 2 * self.dc + self.mat2.n(wl) ** 2 * (1 - self.dc) ) else: eps1 = self.mat1.epsilonTensor(wl)[2, 2, 0] eps2 = self.mat2.epsilonTensor(wl)[2, 2, 0] eps = numpy.real(eps1 * self.dc + eps2 * (1 - self.dc)) return eps * area / self.thickness def __str__(self): """Return the description of a binary grating.""" return "(%s, %s), dc: %g, pitch: %g, thickness: %g" % ( self.mat1, self.mat2, self.dc, self.pitch, self.thickness, ) class SymmetricDoubleGrating(object): """A Symmetric Double Grating is defined by three materials (iso or aniso), two duty cycles, a pitch and a thickness. Inside the pitch there are two rect of width dc1*pitch of mat1 and dc2*pitch of mat2, with a spacer of fixed width made of mat3 between them. """ def __init__(self, mat1, mat2, mat3, dc1, dc2, pitch, thickness): """Set the materials, the duty cycle and the thickness.""" self.mat1 = mat1 self.mat2 = mat2 self.mat3 = mat3 self.dc1 = dc1 self.dc2 = dc2 self.pitch = pitch self.thickness = thickness def isIsotropic(self): """Return True if all the materials are isotropic, False otherwise.""" return ( self.mat1.isIsotropic() and self.mat2.isIsotropic() and self.mat3.isIsotropic() ) def getEPSFourierCoeffs(self, wl, n, anisotropic=True): """Return the Fourier coefficients of eps and eps**-1, orders [-n,n].""" nood = 2 * n + 1 hmax = nood - 1 if not anisotropic: # isotropic rix1 = self.mat1.n(wl) rix2 = self.mat2.n(wl) rix3 = self.mat3.n(wl) f1 = self.dc1 f2 = self.dc2 h = numpy.arange(-hmax, hmax + 1) N = len(h) A = -N * f1 / 2.0 B = N * f2 / 2.0 EPS = ( rix3 ** 2 * (h == 0) + (rix1 ** 2 - rix3 ** 2) * f1 * numpy.sinc(h * f1) * numpy.exp(2j * numpy.pi * h / N * A) + (rix2 ** 2 - rix3 ** 2) * f2 * numpy.sinc(h * f2) * numpy.exp(2j * numpy.pi * h / N * B) ) EPS1 = ( rix3 ** -2 * (h == 0) + (rix1 ** -2 - rix3 ** -2) * f1 * numpy.sinc(h * f1) * numpy.exp(2j * numpy.pi * h / N * A) + (rix2 ** -2 - rix3 ** -2) * f2 * numpy.sinc(h * f2) * numpy.exp(2j * numpy.pi * h / N * B) ) return EPS, EPS1 else: # anisotropic EPS = numpy.zeros((3, 3, 2 * hmax + 1), dtype=complex) EPS1 = numpy.zeros_like(EPS) eps1 = numpy.squeeze(self.mat1.epsilonTensor(wl)) / EMpy.constants.eps0 eps2 = numpy.squeeze(self.mat2.epsilonTensor(wl)) / EMpy.constants.eps0 eps3 = numpy.squeeze(self.mat3.epsilonTensor(wl)) / EMpy.constants.eps0 f1 = self.dc1 f2 = self.dc2 h = numpy.arange(-hmax, hmax + 1) N = len(h) A = -N * f1 / 2.0 B = N * f2 / 2.0 for ih, hh in enumerate(h): EPS[:, :, ih] = ( (eps1 - eps3) * f1 * numpy.sinc(hh * f1) * numpy.exp(2j * numpy.pi * hh / N * A) + (eps2 - eps3) * f2 * numpy.sinc(hh * f2) * numpy.exp(2j * numpy.pi * hh / N * B) + eps3 * (hh == 0) ) EPS1[:, :, ih] = ( (scipy.linalg.inv(eps1) - scipy.linalg.inv(eps3)) * f1 * numpy.sinc(hh * f1) * numpy.exp(2j * numpy.pi * hh / N * A) + (scipy.linalg.inv(eps2) - scipy.linalg.inv(eps3)) * f2 * numpy.sinc(hh * f2) * numpy.exp(2j * numpy.pi * hh / N * B) + scipy.linalg.inv(eps3) * (hh == 0) ) return EPS, EPS1 def capacitance(self, area=1.0, wl=0): """Capacitance = eps0 * eps_r * area / thickness.""" if self.isIsotropic(): eps = EMpy.constants.eps0 * numpy.real( self.mat1.n(wl) ** 2 * self.dc1 + self.mat2.n(wl) ** 2 * self.dc2 + self.mat3.n(wl) ** 2 * (1 - self.dc1 - self.dc2) ) else: eps1 = self.mat1.epsilonTensor(wl)[2, 2, 0] eps2 = self.mat2.epsilonTensor(wl)[2, 2, 0] eps3 = self.mat3.epsilonTensor(wl)[2, 2, 0] eps = numpy.real( eps1 * self.dc1 + eps2 * self.dc2 + eps3 * (1 - self.dc1 - self.dc2) ) return eps * area / self.thickness def __str__(self): """Return the description of a binary grating.""" return "(%s, %s, %s), dc1: %g, dc2: %g, pitch: %g, thickness: %g" % ( self.mat1, self.mat2, self.mat3, self.dc1, self.dc2, self.pitch, self.thickness, ) class AsymmetricDoubleGrating(SymmetricDoubleGrating): """An Asymmetric Double Grating is defined by three materials (iso or aniso), three duty cycles, a pitch and a thickness. Inside the pitch there are two rect of width dc1*pitch of mat1 and dc2*pitch of mat2, separated by dcM*pitch mat3 (between mat1 e mat2, not between mat2 and mat1!). """ def __init__(self, mat1, mat2, mat3, dc1, dc2, dcM, pitch, thickness): SymmetricDoubleGrating.__init__( self, mat1, mat2, mat3, dc1, dc2, pitch, thickness ) self.dcM = dcM def getEPSFourierCoeffs(self, wl, n, anisotropic=True): """Return the Fourier coefficients of eps and eps**-1, orders [-n,n].""" nood = 2 * n + 1 hmax = nood - 1 if not anisotropic: # isotropic rix1 = self.mat1.n(wl) rix2 = self.mat2.n(wl) rix3 = self.mat3.n(wl) f1 = self.dc1 f2 = self.dc2 fM = self.dcM h = numpy.arange(-hmax, hmax + 1) N = len(h) A = -N * (f1 + fM) / 2.0 B = N * (f2 + fM) / 2.0 EPS = ( rix3 ** 2 * (h == 0) + (rix1 ** 2 - rix3 ** 2) * f1 * numpy.sinc(h * f1) * numpy.exp(2j * numpy.pi * h / N * A) + (rix2 ** 2 - rix3 ** 2) * f2 * numpy.sinc(h * f2) * numpy.exp(2j * numpy.pi * h / N * B) ) EPS1 = ( rix3 ** -2 * (h == 0) + (rix1 ** -2 - rix3 ** -2) * f1 * numpy.sinc(h * f1) * numpy.exp(2j * numpy.pi * h / N * A) + (rix2 ** -2 - rix3 ** -2) * f2 * numpy.sinc(h * f2) * numpy.exp(2j * numpy.pi * h / N * B) ) return EPS, EPS1 else: # anisotropic EPS = numpy.zeros((3, 3, 2 * hmax + 1), dtype=complex) EPS1 = numpy.zeros_like(EPS) eps1 = numpy.squeeze(self.mat1.epsilonTensor(wl)) / EMpy.constants.eps0 eps2 = numpy.squeeze(self.mat2.epsilonTensor(wl)) / EMpy.constants.eps0 eps3 = numpy.squeeze(self.mat3.epsilonTensor(wl)) / EMpy.constants.eps0 f1 = self.dc1 f2 = self.dc2 fM = self.dcM h = numpy.arange(-hmax, hmax + 1) N = len(h) A = -N * (f1 + fM) / 2.0 B = N * (f2 + fM) / 2.0 for ih, hh in enumerate(h): EPS[:, :, ih] = ( (eps1 - eps3) * f1 * numpy.sinc(hh * f1) * numpy.exp(2j * numpy.pi * hh / N * A) + (eps2 - eps3) * f2 * numpy.sinc(hh * f2) * numpy.exp(2j * numpy.pi * hh / N * B) + eps3 * (hh == 0) ) EPS1[:, :, ih] = ( (scipy.linalg.inv(eps1) - scipy.linalg.inv(eps3)) * f1 * numpy.sinc(hh * f1) * numpy.exp(2j * numpy.pi * hh / N * A) + (scipy.linalg.inv(eps2) - scipy.linalg.inv(eps3)) * f2 * numpy.sinc(hh * f2) * numpy.exp(2j * numpy.pi * hh / N * B) + scipy.linalg.inv(eps3) * (hh == 0) ) return EPS, EPS1 def capacitance(self, area=1.0, wl=0): """Capacitance = eps0 * eps_r * area / thickness.""" if self.isIsotropic(): eps = EMpy.constants.eps0 * numpy.real( self.mat1.n(wl) ** 2 * self.dc1 + self.mat2.n(wl) ** 2 * self.dc2 + self.mat3.n(wl) ** 2 * (1 - self.dc1 - self.dc2) ) else: eps1 = self.mat1.epsilonTensor(wl)[2, 2, 0] eps2 = self.mat2.epsilonTensor(wl)[2, 2, 0] eps3 = self.mat3.epsilonTensor(wl)[2, 2, 0] eps = numpy.real( eps1 * self.dc1 + eps2 * self.dc2 + eps3 * (1 - self.dc1 - self.dc2) ) return eps * area / self.thickness def __str__(self): """Return the description of a binary grating.""" return ( "(%s, %s, %s), dc1: %g, dc2: %g, dcM: %g, " "pitch: %g, thickness: %g" ) % ( self.mat1, self.mat2, self.mat3, self.dc1, self.dc2, self.dcM, self.pitch, self.thickness, ) class LiquidCrystalCell(object): """Liquid Crystal Cell. A liquid crystal cell is determined by a liquid crystal, a voltage applied to it, a total thickness, an anchoring thickness. The liquid crystal molecules are anchored to the cell with a given pretilt angle (that, at zero volts, is constant throughout all the LC cell). The cell is decomposed in nlayers homogeneous layers. The LC characteristics in each layer is either read from file or deduced by the LC physical parameters solving a boundary value problem (bvp). Inspiration from: U{http://www.ee.ucl.ac.uk/~rjames/modelling/constant-order/oned/}. @ivar lc: Liquid Crystal. @ivar voltage: voltage applied. @ivar t_tot: total thickness. @ivar t_anchoring: anchoring thickness. @ivar pretilt: LC angle pretilt. @ivar totaltwist: LC angle total twist between the anchoring layers. @ivar nlayers: number of layers to subdived the cell. @ivar data_file: file with the angles for voltages applid to the cell. """ def __init__( self, lc, voltage, t_tot, t_anchoring, pretilt=0, totaltwist=0, nlayers=100, data_file=None, ): self.lc = lc self.t_tot = t_tot self.t_anchoring = t_anchoring self.pretilt = pretilt self.totaltwist = totaltwist self.nlayers = nlayers self.data_file = data_file # thicknesses of internal layers tlc_internal = ( (self.t_tot - 2.0 * self.t_anchoring) / (self.nlayers - 2.0) * numpy.ones(self.nlayers - 2) ) # thicknesses of layers self.tlc = numpy.r_[self.t_anchoring, tlc_internal, self.t_anchoring] # internal sample points lhs = numpy.r_[0, numpy.cumsum(tlc_internal)] # normalized sample points: at the center of internal layers, plus the # boundaries (i.e. the anchoring layers) self.normalized_sample_points = numpy.r_[ 0, (lhs[1:] + lhs[:-1]) / 2.0 / (self.t_tot - 2 * self.t_anchoring), 1 ] tmp = numpy.r_[0, numpy.cumsum(self.tlc)] self.sample_points = 0.5 * (tmp[1:] + tmp[:-1]) # finally, apply voltage self.voltage = voltage def getvoltage(self): return self.__voltage def setvoltage(self, v): self.__voltage = v if self.data_file is not None: self.__angles = self._get_angles_from_file() else: self.__angles = self._get_angles_from_bvp() voltage = property(fget=getvoltage, fset=setvoltage) def getangles(self): return self.__angles angles = property(fget=getangles) def __ode_3k(self, z, f): """Inspiration from: U{http://www.ee.ucl.ac.uk/~rjames/modelling/constant-order/oned/}.""" # ------------------------------------------------------------ # minimise Oseen Frank free energy and solve Laplace equation # ------------------------------------------------------------ # [f(1..6)] = [theta theta' phi phi' u u'] theta2, dtheta2dz, phi2, dphi2dz, u2, du2dz = f K11 = self.lc.K11 K22 = self.lc.K22 K33 = self.lc.K33 q0 = self.lc.q0 epslow = self.lc.epslow deleps = self.lc.deleps e0 = EMpy.constants.eps0 K1122 = K11 - K22 K3322 = K33 - K22 costheta1 = numpy.cos(theta2) sintheta1 = numpy.sin(theta2) ezz = e0 * (epslow + deleps * sintheta1 ** 2) # maple generated (see lc3k.mws) ddtheta2dz = ( costheta1 * sintheta1 * ( K1122 * dtheta2dz ** 2 + 2 * K3322 * costheta1 ** 2 * dphi2dz ** 2 - K3322 * dtheta2dz ** 2 - K22 * dphi2dz ** 2 - e0 * deleps * du2dz ** 2 + 2 * q0 * K22 * dphi2dz - K3322 * dphi2dz ** 2 ) / (K1122 * costheta1 ** 2 - K3322 * costheta1 ** 2 + K22 + K3322) ) ddphi2dz = ( 2 * sintheta1 * dtheta2dz * ( 2 * K3322 * costheta1 ** 2 * dphi2dz - K22 * dphi2dz + q0 * K22 - K3322 * dphi2dz ) / costheta1 / (K3322 * costheta1 ** 2 - K22 - K3322) ) ddu2dz = -2 * e0 * deleps * sintheta1 * costheta1 * dtheta2dz * du2dz / ezz return numpy.array([ddtheta2dz, ddphi2dz, ddu2dz]) def __bc_nosplay(self, f): """Inspiration from: U{http://www.ee.ucl.ac.uk/~rjames/modelling/constant-order/oned/}.""" theta2, dtheta2dz, phi2, dphi2dz, u2, du2dz = f return numpy.array( [ theta2[0] - self.pretilt, phi2[1] - 0, u2[2] - 0, theta2[3] - self.pretilt, phi2[4] - self.totaltwist, u2[5] - self.voltage, ] ) def __ic_nosplay(self, z): """Inspiration from: U{http://www.ee.ucl.ac.uk/~rjames/modelling/constant-order/oned/}.""" self.maxtilt = 90 * numpy.pi / 180 - self.pretilt init = numpy.array( [ self.pretilt + self.maxtilt * 4 * z * (1 - z), self.maxtilt * 4 * (1 - 2 * z), self.totaltwist * z, self.totaltwist * numpy.ones_like(z), self.voltage * z, self.voltage * numpy.ones_like(z), ] ) return init, self.__ode_3k(z, init) def __apply_tension(self): """Inspiration from: U{http://www.ee.ucl.ac.uk/~rjames/modelling/constant-order/oned/}.""" try: from scikits.bvp1lg import colnew except ImportError: warning("bvp module not found.") raise boundary_points = numpy.array([0, 0, 0, 1, 1, 1]) tol = 1e-6 * numpy.ones_like(boundary_points) degrees = numpy.array([2, 2, 2]) solution = colnew.solve( boundary_points, degrees, self.__ode_3k, self.__bc_nosplay, is_linear=False, initial_guess=self.__ic_nosplay, tolerances=tol, vectorized=True, maximum_mesh_size=1000, ) self.bvp_solution = solution def get_parameters(self, z=None): """Inspiration from: U{http://www.ee.ucl.ac.uk/~rjames/modelling/constant-order/oned/}.""" if z is None: z = self.bvp_solution.mesh data = self.bvp_solution(z) theta = EMpy.utils.rad2deg(numpy.pi / 2.0 - data[:, 0]) phi = EMpy.utils.rad2deg(data[:, 2]) u = data[:, 4] return z, theta, phi, u def _get_angles_from_file(self): # interpolate data file data = numpy.loadtxt(self.data_file) data_x = numpy.linspace(0, 1, data.shape[0] - 1) data_y = data[0, :] x = self.normalized_sample_points y = [self.voltage] angles = interp2(x, y, data_x, data_y, data[1:, :]) return angles.squeeze() def _get_angles_from_bvp(self): # solve bvp self.__apply_tension() z_ = self.normalized_sample_points z, theta, phi, u = self.get_parameters(z_) return theta def createMultilayer(self): """Split the cell in nlayers homogeneous layers.""" m = [] for a, t in zip(EMpy.utils.deg2rad(self.angles), self.tlc): epsT = EMpy.materials.EpsilonTensor( epsilon_tensor_const=EMpy.utils.euler_rotate( numpy.diag([self.lc.nE, self.lc.nO, self.lc.nO]) ** 2, 0.0, numpy.pi / 2.0, numpy.pi / 2.0 - a, ) * EMpy.constants.eps0, epsilon_tensor_known={ 0: EMpy.utils.euler_rotate( numpy.diag( [ self.lc.nE_electrical, self.lc.nO_electrical, self.lc.nO_electrical, ] ) ** 2, 0.0, numpy.pi / 2.0, numpy.pi / 2.0 - a, ) * EMpy.constants.eps0, }, ) m.append( Layer(EMpy.materials.AnisotropicMaterial("LC", epsilon_tensor=epsT), t) ) return Multilayer(m) def capacitance(self, area=1.0, wl=0): """Capacitance = eps0 * eps_r * area / thickness.""" return self.createMultilayer().capacitance(area, wl) @staticmethod def isIsotropic(): """Return False.""" return False def __str__(self): """Return the description of a LiquidCrystal.""" return ( "datafile: %s, voltage: %g, t_tot: %g, " "t_anchoring: %g, (nO, nE) = (%g, %g)" ) % ( self.data_file, self.voltage, self.t_tot, self.t_anchoring, self.lc.nO, self.lc.nE, ) class Multilayer(object): """A Multilayer is a list of layers with some more methods.""" def __init__(self, data=None): """Initialize the data list.""" if data is None: data = [] self.data = data[:] def __delitem__(self, i): """Delete an item from list.""" del self.data[i] def __getitem__(self, i): """Get an item of the list of layers.""" return self.data[i] def __getslice__(self, i, j): """Get a Multilayer from a slice of layers.""" return Multilayer(self.data[i:j]) def __len__(self): """Return the number of layers.""" return len(self.data) def __setitem__(self, i, item): """Set an item of the list of layers.""" self.data[i] = item def __setslice__(self, i, j, other): """Set a slice of layers.""" self.data[i:j] = other def append(self, item): """Append a layer to the layers list.""" self.data.append(item) def extend(self, other): """Extend the layers list with other layers.""" self.data.extend(other) def insert(self, i, item): """Insert a new layer in the layers list at the position i.""" self.data.insert(i, item) def remove(self, item): """Remove item from layers list.""" self.data.remove(item) def pop(self, i=-1): return self.data.pop(i) def isIsotropic(self): """Return True if all the layers of the multilayers are isotropic, False otherwise.""" return numpy.asarray([m.isIsotropic() for m in self.data]).all() def simplify(self): """Return a new flatten Multilayer, with expanded LiquidCrystalCells.""" # make a tmp list, copy of self, to work with tmp = self.data[:] # expand the liquid crystals for il, l in enumerate(tmp): if isinstance(l, LiquidCrystalCell): tmp[il] = l.createMultilayer() # flatten the tmp list def helper(multilayer): """Recurse to flatten all the nested Multilayers.""" ret = [] for layer in multilayer: if not isinstance(layer, Multilayer): ret.append(layer) else: ret.extend(helper(layer[:])) return ret return Multilayer(helper(tmp)) def capacitance(self, area=1.0, wl=0): """Capacitance = eps0 * eps_r * area / thickness.""" m = self.simplify() ctot_1 = 0.0 for l in m: if numpy.isfinite(l.thickness): ctot_1 += 1.0 / l.capacitance(area, wl) return 1.0 / ctot_1 def __str__(self): """Return a description of the Multilayer.""" if self.__len__() == 0: list_str = "<emtpy>" else: list_str = "\n".join( ["%d: %s" % (il, l.__str__()) for il, l in enumerate(self.data)] ) return "Multilayer\n----------\n" + list_str class Slice(Multilayer): def __init__(self, width, *argv): Multilayer.__init__(self, *argv) self.width = width def heights(self): return numpy.array([l.thickness for l in self]) def ys(self): return numpy.r_[0.0, self.heights().cumsum()] def height(self): return self.heights().sum() def find_layer(self, y): l = numpy.where(self.ys() <= y)[0] if len(l) > 0: return self[min(l[-1], len(self) - 1)] else: return self[0] def plot(self, x0, x1, nmin, nmax, wl=1.55e-6): try: import pylab except ImportError: warning("no pylab installed") return y0 = 0 # ytot = sum([l.thickness for l in self]) for l in self: y1 = y0 + l.thickness n = l.mat.n(wl) r = 1.0 - (1.0 * (n - nmin) / (nmax - nmin)) pylab.fill( [x0, x1, x1, x0], [y0, y0, y1, y1], ec="yellow", fc=(r, r, r), alpha=0.5 ) y0 = y1 pylab.axis("image") def __str__(self): return "width = %e\n%s" % (self.width, Multilayer.__str__(self)) class CrossSection(list): def __str__(self): return "\n".join("%s" % s for s in self) def widths(self): return numpy.array([s.width for s in self]) def xs(self): return numpy.r_[0.0, self.widths().cumsum()] def ys(self): tmp = numpy.concatenate([s.ys() for s in self]) # get rid of numerical errors tmp = numpy.round(tmp * 1e10) * 1e-10 return numpy.unique(tmp) def width(self): return self.widths().sum() def grid(self, nx_per_region, ny_per_region): xs = self.xs() ys = self.ys() nxregions = len(xs) - 1 nyregions = len(ys) - 1 if numpy.isscalar(nx_per_region): nx = (nx_per_region,) * nxregions elif len(nx_per_region) != nxregions: raise ValueError("wrong nx_per_region dim") else: nx = nx_per_region if numpy.isscalar(ny_per_region): ny = (ny_per_region,) * nyregions elif len(ny_per_region) != nyregions: raise ValueError("wrong ny_per_region dim") else: ny = ny_per_region X = [] x0 = xs[0] for x, n in zip(xs[1:], nx): X.append(numpy.linspace(x0, x, n + 1)[:-1]) x0 = x X = numpy.concatenate(X) X = numpy.r_[X, x0] Y = [] y0 = ys[0] for y, n in zip(ys[1:], ny): Y.append(numpy.linspace(y0, y, n + 1)[:-1]) y0 = y Y = numpy.concatenate(Y) Y = numpy.r_[Y, y0] return X, Y def find_slice(self, x): s = numpy.where(self.xs() <= x)[0] if len(s) > 0: return self[min(s[-1], len(self) - 1)] else: return self[0] def _epsfunc(self, x, y, wl): if numpy.isscalar(x) and numpy.isscalar(y): return self.find_slice(x).find_layer(y).mat.n(wl) ** 2 else: raise ValueError("only scalars, please!") def epsfunc(self, x, y, wl): eps = numpy.ones((len(x), len(y)), dtype=complex) for ix, xx in enumerate(x): for iy, yy in enumerate(y): eps[ix, iy] = self._epsfunc(xx, yy, wl) return eps def plot(self, wl=1.55e-6): try: import pylab except ImportError: warning("no pylab installed") return x0 = 0 ns = [[l.mat.n(wl) for l in s] for s in self] nmax = max(max(ns)) nmin = min(min(ns)) for s in self: x1 = x0 + s.width s.plot(x0, x1, nmin, nmax, wl=wl) x0 = x1 pylab.axis("image") class Peak(object): def __init__(self, x, y, idx, x0, y0, xFWHM_1, xFWHM_2): self.x = x self.y = y self.idx = idx self.x0 = x0 self.y0 = y0 self.xFWHM_1 = xFWHM_1 self.xFWHM_2 = xFWHM_2 self.FWHM = numpy.abs(xFWHM_2 - xFWHM_1) def __str__(self): return "(%g, %g) [%d, (%g, %g)] FWHM = %s" % ( self.x, self.y, self.idx, self.x0, self.y0, self.FWHM, ) def deg2rad(x): """Convert from deg to rad.""" return x / 180.0 * numpy.pi def rad2deg(x): """Convert from rad to deg.""" return x / numpy.pi * 180.0 def norm(x): """Return the norm of a 1D vector.""" return numpy.sqrt(numpy.vdot(x, x)) def normalize(x): """Return a normalized 1D vector.""" return x / norm(x) def euler_rotate(X, phi, theta, psi): """Euler rotate. Rotate the matrix X by the angles phi, theta, psi. INPUT X = 2d numpy.array. phi, theta, psi = rotation angles. OUTPUT Rotated matrix = 2d numpy.array. NOTE see http://mathworld.wolfram.com/EulerAngles.html """ A = numpy.array( [ [ numpy.cos(psi) * numpy.cos(phi) - numpy.cos(theta) * numpy.sin(phi) * numpy.sin(psi), -numpy.sin(psi) * numpy.cos(phi) - numpy.cos(theta) * numpy.sin(phi) * numpy.cos(psi), numpy.sin(theta) * numpy.sin(phi), ], [ numpy.cos(psi) * numpy.sin(phi) + numpy.cos(theta) * numpy.cos(phi) * numpy.sin(psi), -numpy.sin(psi) * numpy.sin(phi) + numpy.cos(theta) * numpy.cos(phi) * numpy.cos(psi), -numpy.sin(theta) * numpy.cos(phi), ], [ numpy.sin(theta) * numpy.sin(psi), numpy.sin(theta) * numpy.cos(psi), numpy.cos(theta), ], ] ) return numpy.dot(A, numpy.dot(X, scipy.linalg.inv(A))) def snell(theta_inc, n): """Snell law. INPUT theta_inc = angle of incidence. n = 1D numpy.array of refractive indices. OUTPUT theta = 1D numpy.array. """ theta = numpy.zeros_like(n) theta[0] = theta_inc for i in range(1, n.size): theta[i] = numpy.arcsin(n[i - 1] / n[i] * numpy.sin(theta[i - 1])) return theta def group_delay_and_dispersion(wls, y): """Compute group delay and dispersion. INPUT wls = wavelengths (ndarray). y = function (ndarray). OUTPUT phi = phase of function in rad. tau = group delay in ps. Dpsnm = dispersion in ps/nm. NOTE wls and y must have the same shape. phi has the same shape as wls. tau has wls.shape - (..., 1) Dpsnm has wls.shape - (..., 2) """ # transform the input in ndarrays wls = numpy.asarray(wls) y = numpy.asarray(y) # check for good input if wls.shape != y.shape: raise ValueError("wls and y must have the same shape.") f = EMpy.constants.c / wls df = numpy.diff(f) toPSNM = 1e12 / 1e9 cnmps = EMpy.constants.c / toPSNM # phase phi = numpy.unwrap(4.0 * numpy.angle(y)) / 4.0 # group delay tau = -0.5 / numpy.pi * numpy.diff(phi) / df * 1e12 # dispersion in ps/nm Dpsnm = -0.5 / numpy.pi / cnmps * f[1:-1] ** 2 * numpy.diff(phi, 2) / df[0:-1] ** 2 return phi, tau, Dpsnm def rix2losses(n, wl): """Return real(n), imag(n), alpha, alpha_cm1, alpha_dBcm1, given a complex refractive index. Power goes as: P = P0 exp(-alpha*z).""" nr = numpy.real(n) ni = numpy.imag(n) alpha = 4 * numpy.pi * ni / wl alpha_cm1 = alpha / 100.0 alpha_dBcm1 = 10 * numpy.log10(numpy.exp(1)) * alpha_cm1 return nr, ni, alpha, alpha_cm1, alpha_dBcm1 def loss_cm2rix(n_real, alpha_cm1, wl): """Return complex refractive index, given real index (n_real), absorption coefficient (alpha_cm1) in cm^-1, and wavelength (wl) in meters. Do not pass more than one argument as array, will return erroneous result.""" ni = 100 * alpha_cm1 * wl / (numpy.pi * 4) return n_real - 1j * ni def loss_m2rix(n_real, alpha_m1, wl): """Return complex refractive index, given real index (n_real), absorption coefficient (alpha_m1) in m^-1, and wavelength (wl) in meters. Do not pass more than one argument as array, will return erroneous result.""" ni = alpha_m1 * wl / (numpy.pi * 4) return n_real - 1j * ni def loss_dBcm2rix(n_real, alpha_dBcm1, wl): """Return complex refractive index, given real index (n_real), absorption coefficient (alpha_dBcm1) in dB/cm, and wavelength (wl) in meters. Do not pass more than one argument as array, will return erroneous result.""" ni = 10 * alpha_dBcm1 * wl / (numpy.log10(numpy.exp(1)) * 4 * numpy.pi) return n_real - 1j * ni def wl2f(wl0, dwl): """Convert a central wavelength and an interval to frequency.""" wl1 = wl0 - dwl / 2.0 wl2 = wl0 + dwl / 2.0 f1 = EMpy.constants.c / wl2 f2 = EMpy.constants.c / wl1 f0 = (f1 + f2) / 2.0 df = f2 - f1 return f0, df def f2wl(f0, df): """Convert a central frequency and an interval to wavelength.""" return wl2f(f0, df) def find_peaks(x, y, threshold=1e-6): # find peaks' candidates dy = numpy.diff(y) ddy = numpy.diff(numpy.sign(dy)) # idxs = numpy.where(ddy < 0)[0] + 1 idxs = numpy.where(ddy < 0) if len(idxs) == 0: # there is only 1 min in f, so the max is on either boundary # get the max and set FWHM = 0 idx = numpy.argmax(y) p = Peak(x[idx], y[idx], idx, x[idx], y[idx], x[idx], x[idx]) # return a list of one element return [p] # refine search with splines tck = scipy.interpolate.splrep(x, y) # look for zero derivative def absdy(x_): return numpy.abs(scipy.interpolate.splev(x_, tck, der=1)) peaks = [] for idx in idxs: # look around the candidate xtol = (x.max() - x.min()) * 1e-6 xopt = scipy.optimize.fminbound( absdy, x[idx - 1], x[idx + 1], xtol=xtol, disp=False ) yopt = scipy.interpolate.splev(xopt, tck) if yopt > threshold * y.max(): # FWHM tckFWHM = scipy.interpolate.splrep(x, y - 0.5 * yopt) roots = scipy.interpolate.sproot(tckFWHM) idxFWHM = numpy.searchsorted(roots, xopt) if idxFWHM <= 0: xFWHM_1 = x[0] else: xFWHM_1 = roots[idxFWHM - 1] if idxFWHM >= len(roots): xFWHM_2 = x[-1] else: xFWHM_2 = roots[idxFWHM] p = Peak(xopt, yopt, idx, x[idx], y[idx], xFWHM_1, xFWHM_2) peaks.append(p) def cmp_y(x_, y_): # to sort in descending order if x_.y == y_.y: return 0 if x_.y > y_.y: return -1 return 1 peaks.sort(cmp=cmp_y) return peaks def cond(M): """Return the condition number of the 2D array M.""" svdv = scipy.linalg.svdvals(M) return svdv.max() / svdv.min() def interp2(x, y, xp, yp, fp): """Interpolate a 2D complex array. :rtype : numpy.array """ f1r = numpy.zeros((len(xp), len(y))) f1i = numpy.zeros((len(xp), len(y))) for ixp in range(len(xp)): f1r[ixp, :] = numpy.interp(y, yp, numpy.real(fp[ixp, :])) f1i[ixp, :] = numpy.interp(y, yp, numpy.imag(fp[ixp, :])) fr = numpy.zeros((len(x), len(y))) fi = numpy.zeros((len(x), len(y))) for iy in range(len(y)): fr[:, iy] = numpy.interp(x, xp, f1r[:, iy]) fi[:, iy] = numpy.interp(x, xp, f1i[:, iy]) return fr + 1j * fi def trapz2(f, x=None, y=None, dx=1.0, dy=1.0): """Double integrate.""" return numpy.trapz(numpy.trapz(f, x=y, dx=dy), x=x, dx=dx) def centered1d(x): return (x[1:] + x[:-1]) / 2.0 def centered2d(x): return (x[1:, 1:] + x[1:, :-1] + x[:-1, 1:] + x[:-1, :-1]) / 4.0 def blackbody(f, T): return ( 2 * EMpy.constants.h * f ** 3 / (EMpy.constants.c ** 2) * 1.0 / (numpy.exp(EMpy.constants.h * f / (EMpy.constants.k * T)) - 1) ) def warning(s): """Print a warning on the stdout. :param s: warning message :type s: str :rtype : str """ print("WARNING --- {}".format(s)) class ProgressBar(object): """Creates a text-based progress bar. Call the object with the `print' command to see the progress bar, which looks something like this: [=======> 22% ] You may specify the progress bar's width, min and max values on init. """ def __init__(self, minValue=0, maxValue=100, totalWidth=80): self.progBar = "[]" # This holds the progress bar string self.min = minValue self.max = maxValue self.span = maxValue - minValue self.width = totalWidth self.reset() def reset(self): self.start_time = time.time() self.amount = 0 # When amount == max, we are 100% done self.updateAmount(0) # Build progress bar string def updateAmount(self, newAmount=0): """Update the progress bar with the new amount (with min and max values set at initialization; if it is over or under, it takes the min or max value as a default.""" if newAmount < self.min: newAmount = self.min if newAmount > self.max: newAmount = self.max self.amount = newAmount # Figure out the new percent done, round to an integer diffFromMin = float(self.amount - self.min) percentDone = (diffFromMin / float(self.span)) * 100.0 percentDone = int(round(percentDone)) # Figure out how many hash bars the percentage should be allFull = self.width - 2 - 18 numHashes = (percentDone / 100.0) * allFull numHashes = int(round(numHashes)) # Build a progress bar with an arrow of equal signs; special cases for # empty and full if numHashes == 0: self.progBar = "[>%s]" % (" " * (allFull - 1)) elif numHashes == allFull: self.progBar = "[%s]" % ("=" * allFull) else: self.progBar = "[%s>%s]" % ( "=" * (numHashes - 1), " " * (allFull - numHashes), ) # figure out where to put the percentage, roughly centered percentPlace = (len(self.progBar) / 2) - len(str(percentDone)) percentString = " " + str(percentDone) + "% " elapsed_time = time.time() - self.start_time # slice the percentage into the bar self.progBar = "".join( [ self.progBar[0:percentPlace], percentString, self.progBar[percentPlace + len(percentString) :], ] ) if percentDone > 0: self.progBar += " %6ds / %6ds" % ( int(elapsed_time), int(elapsed_time * (100.0 / percentDone - 1)), ) def update(self, value, every=1): """Updates the amount, and writes to stdout. Prints a carriage return first, so it will overwrite the current line in stdout.""" if value % every == 0 or value >= self.max: print("\r", end=" ") self.updateAmount(value) sys.stdout.write(self.progBar) sys.stdout.flush()
lbolla/EMpy
EMpy/utils.py
Python
mit
42,390
[ "CRYSTAL" ]
cb05930542d973a2367943c7ffc13c12eb7074a08f95d685418ef20f9b785c40
# -*- coding: utf-8 -*- #LICENCE # # This File is part of the Webbouqueteditor plugin # and licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported # License if not stated otherwise in a files head. To view a copy of this license, visit # http://creativecommons.org/licenses/by-nc-sa/3.0/ or send a letter to Creative # Commons, 559 Nathan Abbott Way, Stanford, California 94305, USA. from enigma import eServiceReference, eServiceCenter, eDVBDB from Components.Sources.Source import Source from Screens.ChannelSelection import service_types_tv, MODE_TV, MODE_RADIO from Components.config import config from os import remove, path, popen from Screens.InfoBar import InfoBar from ServiceReference import ServiceReference from Components.ParentalControl import parentalControl from re import compile as re_compile from Components.NimManager import nimmanager class BouquetEditor(Source): ADD_BOUQUET = 0 REMOVE_BOUQUET = 1 MOVE_BOUQUET = 2 ADD_SERVICE_TO_BOUQUET = 3 REMOVE_SERVICE = 4 MOVE_SERVICE = 5 ADD_PROVIDER_TO_BOUQUETLIST = 6 ADD_SERVICE_TO_ALTERNATIVE = 7 REMOVE_ALTERNATIVE_SERVICES = 8 TOGGLE_LOCK = 9 BACKUP = 10 RESTORE = 11 RENAME_SERVICE = 12 ADD_MARKER_TO_BOUQUET = 13 BACKUP_PATH = "/tmp" BACKUP_FILENAME = "webbouqueteditor_backup.tar" def __init__(self, session, func=ADD_BOUQUET): Source.__init__(self) self.func = func self.session = session self.command = None self.bouquet_rootstr = "" self.result = ( False, "one two three four unknown command" ) def handleCommand(self, cmd): print "[WebComponents.BouquetEditor] handleCommand with cmd = ", cmd if self.func is self.ADD_BOUQUET: self.result = self.addToBouquet(cmd) elif self.func is self.MOVE_BOUQUET: self.result = self.moveBouquet(cmd) elif self.func is self.MOVE_SERVICE: self.result = self.moveService(cmd) elif self.func is self.REMOVE_BOUQUET: self.result = self.removeBouquet(cmd) elif self.func is self.REMOVE_SERVICE: self.result = self.removeService(cmd) elif self.func is self.ADD_SERVICE_TO_BOUQUET: self.result = self.addServiceToBouquet(cmd) elif self.func is self.ADD_PROVIDER_TO_BOUQUETLIST: self.result = self.addProviderToBouquetlist(cmd) elif self.func is self.ADD_SERVICE_TO_ALTERNATIVE: self.result = self.addServiceToAlternative(cmd) elif self.func is self.REMOVE_ALTERNATIVE_SERVICES: self.result = self.removeAlternativeServices(cmd) elif self.func is self.TOGGLE_LOCK: self.result = self.toggleLock(cmd) elif self.func is self.BACKUP: self.result = self.backupFiles(cmd) elif self.func is self.RESTORE: self.result = self.restoreFiles(cmd) elif self.func is self.RENAME_SERVICE: self.result = self.renameService(cmd) elif self.func is self.ADD_MARKER_TO_BOUQUET: self.result = self.addMarkerToBouquet(cmd) else: self.result = ( False, "one two three four unknown command" ) def addToBouquet(self, param): print "[WebComponents.BouquetEditor] addToBouquet with param = ", param bName = param["name"] if bName is None: return (False, "No bouquet name given!") mode = MODE_TV # init if "mode" in param: if param["mode"] is not None: mode = int(param["mode"]) return self.addBouquet(bName, mode, None) def addBouquet(self, bName, mode, services): if config.usage.multibouquet.value: mutableBouquetList = self.getMutableBouquetList(mode) if mutableBouquetList: if mode == MODE_TV: bName += " (TV)" sref = '1:7:1:0:0:0:0:0:0:0:FROM BOUQUET \"userbouquet.%s.tv\" ORDER BY bouquet'%(self.buildBouquetID(bName, "userbouquet.", mode)) else: bName += " (Radio)" sref = '1:7:2:0:0:0:0:0:0:0:FROM BOUQUET \"userbouquet.%s.radio\" ORDER BY bouquet'%(self.buildBouquetID(bName, "userbouquet.", mode)) new_bouquet_ref = eServiceReference(sref) if not mutableBouquetList.addService(new_bouquet_ref): mutableBouquetList.flushChanges() eDVBDB.getInstance().reloadBouquets() mutableBouquet = self.getMutableList(new_bouquet_ref) if mutableBouquet: mutableBouquet.setListName(bName) if services is not None: for service in services: if mutableBouquet.addService(service): print "add", service.toString(), "to new bouquet failed" mutableBouquet.flushChanges() self.setRoot(self.bouquet_rootstr) return (True, "Bouquet %s created." % bName) else: return (False, "Get mutable list for new created bouquet failed!") else: return (False, "Bouquet %s already exists." % bName) else: return (False, "Bouquetlist is not editable!") else: return (False, "Multi-Bouquet is not enabled!") def addProviderToBouquetlist(self, param): print "[WebComponents.BouquetEditor] addProviderToBouquet with param = ", param refstr = sref = param["sProviderRef"] if refstr is None: return (False, "No provider given!") mode = MODE_TV # init if "mode" in param: if param["mode"] is not None: mode = int(param["mode"]) ref = eServiceReference(refstr) provider = ServiceReference(ref) providerName = provider.getServiceName() serviceHandler = eServiceCenter.getInstance() services = serviceHandler.list(provider.ref) return self.addBouquet(providerName, mode, services and services.getContent('R', True)) def removeBouquet(self, param): print "[WebComponents.BouquetEditor] removeBouquet with param = ", param refstr = sref = param["sBouquetRef"] if refstr is None: return (False, "No bouquet name given!") mode = MODE_TV # init if "mode" in param: if param["mode"] is not None: mode = int(param["mode"]) if param.has_key("BouquetRefRoot"): bouquet_root = param["BouquetRefRoot"] # only when removing alternative else: bouquet_root = None pos = refstr.find('FROM BOUQUET "') filename = None if pos != -1: refstr = refstr[pos+14:] pos = refstr.find('"') if pos != -1: filename = '/etc/enigma2/' + refstr[:pos] # FIXMEEE !!! HARDCODED /etc/enigma2 ref = eServiceReference(sref) bouquetName = self.getName(ref) if not bouquetName: bouquetName = filename if bouquet_root: mutableList = self.getMutableList(eServiceReference(bouquet_root)) else: mutableList = self.getMutableBouquetList(mode) if ref.valid() and mutableList is not None: if not mutableList.removeService(ref): mutableList.flushChanges() self.setRoot(self.bouquet_rootstr) else: return (False, "Bouquet %s removed failed." % filename) else: return (False, "Bouquet %s removed failed, sevicerefence or mutable list is not valid." % filename) try: if filename is not None: remove(filename) return (True, "Bouquet %s deleted." % bouquetName) except OSError: return (False, "Error: Bouquet %s could not deleted, OSError." % filename) def moveBouquet(self, param): print "[WebComponents.BouquetEditor] moveBouquet with param = ", param sBouquetRef = param["sBouquetRef"] if sBouquetRef is None: return (False, "No bouquet name given!") mode = MODE_TV # init if "mode" in param: if param["mode"] is not None: mode = int(param["mode"]) position = None if "position" in param: if param["position"] is not None: position = int(param["position"]) if position is None: return (False, "No position given!") mutableBouquetList = self.getMutableBouquetList(mode) if mutableBouquetList is not None: ref = eServiceReference(sBouquetRef) mutableBouquetList.moveService(ref, position) mutableBouquetList.flushChanges() self.setRoot(self.bouquet_rootstr) return (True, "Bouquet %s moved." % self.getName(ref)) else: return (False, "Bouquet %s can not be moved." % self.getName(ref)) def removeService(self, param): print "[WebComponents.BouquetEditor] removeService with param = ", param sBouquetRef = param["sBouquetRef"] if sBouquetRef is None: return (False, "No bouquet given!") sRef = None if "sRef" in param: if param["sRef"] is not None: sRef =param["sRef"] if sRef is None: return (False, "No service given!") ref = eServiceReference(sRef) if ref.flags & eServiceReference.isGroup: # check if service is an alternative, if so delete it with removeBouquet new_param = {} new_param["sBouquetRef"] = sRef new_param["mode"] = None # of no interest when passing BouquetRefRoot new_param["BouquetRefRoot"] = sBouquetRef returnValue = self.removeBouquet(new_param) if returnValue[0]: return (True, "Service %s removed." % self.getName(ref)) else: bouquetRef = eServiceReference(sBouquetRef) mutableBouquetList = self.getMutableList(bouquetRef) if mutableBouquetList is not None: if not mutableBouquetList.removeService(ref): mutableBouquetList.flushChanges() self.setRoot(sBouquetRef) return (True, "Service %s removed from bouquet %s." % (self.getName(ref), self.getName(bouquetRef))) return (False, "Service %s can not be removed." % self.getName(ref)) def moveService(self, param): print "[WebComponents.BouquetEditor] moveService with param = ", param sBouquetRef = param["sBouquetRef"] if sBouquetRef is None: return (False, "No bouquet given!") sRef = None if "sRef" in param: if param["sRef"] is not None: sRef =param["sRef"] if sRef is None: return (False, "No service given!") position = None if "position" in param: if param["position"] is not None: position = int(param["position"]) if position is None: return (False, "No position given!") mutableBouquetList = self.getMutableList(eServiceReference(sBouquetRef)) if mutableBouquetList is not None: ref = eServiceReference(sRef) mutableBouquetList.moveService(ref, position) mutableBouquetList.flushChanges() self.setRoot(sBouquetRef) return (True, "Service %s moved." % self.getName(ref)) return (False, "Service can not be moved.") def addServiceToBouquet(self, param): print "[WebComponents.BouquetEditor] addService with param = ", param sBouquetRef = param["sBouquetRef"] if sBouquetRef is None: return (False, "No bouquet given!") sRef = None if "sRef" in param: if param["sRef"] is not None: sRef =param["sRef"] if sRef is None: return (False, "No service given!") sName = None if "Name" in param: if param["Name"] is not None: sName =param["Name"] sRefBefore = eServiceReference() if "sRefBefore" in param: if param["sRefBefore"] is not None: sRefBefore = eServiceReference(param["sRefBefore"]) bouquetRef = eServiceReference(sBouquetRef) mutableBouquetList = self.getMutableList(bouquetRef) if mutableBouquetList is not None: ref = eServiceReference(sRef) if sName: ref.setName(sName) if not mutableBouquetList.addService(ref, sRefBefore): mutableBouquetList.flushChanges() self.setRoot(sBouquetRef) return (True, "Service %s added." % self.getName(ref)) else: bouquetName = self.getName(bouquetRef) return (False, "Service %s already exists in bouquet %s." % (self.getName(ref), bouquetName)) return (False, "This service can not be added.") def addMarkerToBouquet(self, param): print "[WebComponents.BouquetEditor] addMarkerToBouquet with param = ", param sBouquetRef = param["sBouquetRef"] if sBouquetRef is None: return (False, "No bouquet given!") name = None if "Name" in param: if param["Name"] is not None: name =param["Name"] if name is None: return (False, "No marker-name given!") sRefBefore = eServiceReference() if "sRefBefore" in param: if param["sRefBefore"] is not None: sRefBefore = eServiceReference(param["sRefBefore"]) bouquet_ref = eServiceReference(sBouquetRef) mutableBouquetList = self.getMutableList(bouquet_ref) cnt = 0 while mutableBouquetList: service_str = '1:64:%d:0:0:0:0:0:0:0::%s'%(cnt, name) ref = eServiceReference(service_str) if not mutableBouquetList.addService(ref, sRefBefore): mutableBouquetList.flushChanges() self.setRoot(sBouquetRef) return (True, "Marker added.") cnt+=1 return (False, "Internal error!") def renameService(self, param): sRef = None if "sRef" in param: if param["sRef"] is not None: sRef =param["sRef"] if sRef is None: return (False, "No service given!") sName = None if "newName" in param: if param["newName"] is not None: sName =param["newName"] if sName is None: return (False, "No new servicename given!") sBouquetRef = None if "sBouquetRef" in param: if param["sBouquetRef"] is not None: sBouquetRef =param["sBouquetRef"] cur_ref = eServiceReference(sRef) if cur_ref.flags & eServiceReference.mustDescent: # bouquets or alternatives can be renamed with setListName directly mutableBouquetList = self.getMutableList(cur_ref) if mutableBouquetList: mutableBouquetList.setListName(sName) mutableBouquetList.flushChanges() if sBouquetRef: # BouquetRef is given when renaming alternatives self.setRoot(sBouquetRef) else: mode = MODE_TV # mode is given when renaming bouquet if "mode" in param: if param["mode"] is not None: mode = int(param["mode"]) if mode == MODE_TV: bouquet_rootstr = '1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.tv" ORDER BY bouquet' else: bouquet_rootstr = '1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.radio" ORDER BY bouquet' self.setRoot(bouquet_rootstr) return (True, "Bouquet renamed successfully.") else: # service # services can not be renamed directly, so delete the current and add it again with new servicename sRefBefore = None if "sRefBefore" in param: if param["sRefBefore"] is not None: sRefBefore =param["sRefBefore"] new_param = {} new_param["sBouquetRef"] = sBouquetRef new_param["sRef"] = sRef new_param["Name"] = sName new_param["sRefBefore"] = sRefBefore returnValue = self.removeService(new_param) if returnValue[0]: returnValue = self.addServiceToBouquet(new_param) if returnValue[0]: return (True, "Service renamed successfully.") return (False, "Service can not be renamed.") def addServiceToAlternative(self, param): sBouquetRef = param["sBouquetRef"] if sBouquetRef is None: return (False, "No bouquet given!") sRef = None if "sRef" in param: if param["sRef"] is not None: sRef =param["sRef"] # service to add to the alternative if sRef is None: return (False, "No service given!") sCurrentRef = param["sCurrentRef"] # alternative service if sCurrentRef is None: return (False, "No current service given!") cur_ref = eServiceReference(sCurrentRef) # check if service is already an alternative if not (cur_ref.flags & eServiceReference.isGroup): # sCurrentRef is not an alternative service yet, so do this and add itself to new alternative liste mode = MODE_TV # init if "mode" in param: if param["mode"] is not None: mode = int(param["mode"]) mutableBouquetList = self.getMutableList(eServiceReference(sBouquetRef)) if mutableBouquetList: cur_service = ServiceReference(cur_ref) name = cur_service.getServiceName() if mode == MODE_TV: sref = '1:134:1:0:0:0:0:0:0:0:FROM BOUQUET \"alternatives.%s.tv\" ORDER BY bouquet'%(self.buildBouquetID(name, "alternatives.", mode)) else: sref = '1:134:2:0:0:0:0:0:0:0:FROM BOUQUET \"alternatives.%s.radio\" ORDER BY bouquet'%(self.buildBouquetID(name, "alternatives.", mode)) new_ref = eServiceReference(sref) if not mutableBouquetList.addService(new_ref, cur_ref): mutableBouquetList.removeService(cur_ref) mutableBouquetList.flushChanges() eDVBDB.getInstance().reloadBouquets() mutableAlternatives = self.getMutableList(new_ref) if mutableAlternatives: mutableAlternatives.setListName(name) if mutableAlternatives.addService(cur_ref): print "add", cur_ref.toString(), "to new alternatives failed" mutableAlternatives.flushChanges() self.setRoot(sBouquetRef) sCurrentRef = sref # currentRef is now an alternative (bouquet) else: return (False, "Get mutable list for new created alternative failed!") else: return (False, "Alternative %s created failed." % name) else: return (False, "Bouquetlist is not editable!") # add service to alternative-bouquet new_param = {} new_param["sBouquetRef"] = sCurrentRef new_param["sRef"] = sRef returnValue = self.addServiceToBouquet(new_param) if returnValue[0]: cur_ref = eServiceReference(sCurrentRef) cur_service = ServiceReference(cur_ref) name = cur_service.getServiceName() service_ref = ServiceReference(sRef) service_name = service_ref.getServiceName() return (True, "Added %s to alternative service %s." % (service_name,name)) else: return returnValue def removeAlternativeServices(self, param): print "[WebComponents.BouquetEditor] removeAlternativeServices with param = ", param sBouquetRef = param["sBouquetRef"] if sBouquetRef is None: return (False, "No bouquet given!") sRef = None if "sRef" in param: if param["sRef"] is not None: sRef =param["sRef"] if sRef is None: return (False, "No service given!") cur_ref = eServiceReference(sRef) # check if service is an alternative if cur_ref.flags & eServiceReference.isGroup: cur_service = ServiceReference(cur_ref) list = cur_service.list() first_in_alternative = list and list.getNext() if first_in_alternative: mutableBouquetList = self.getMutableList(eServiceReference(sBouquetRef)) if mutableBouquetList is not None: if mutableBouquetList.addService(first_in_alternative, cur_service.ref): print "couldn't add first alternative service to current root" else: print "couldn't edit current root" else: print "remove empty alternative list" else: return (False, "Service is not an alternative.") new_param = {} new_param["sBouquetRef"] = sRef new_param["mode"] = None # of no interest when passing BouquetRefRoot new_param["BouquetRefRoot"] = sBouquetRef returnValue = self.removeBouquet(new_param) if returnValue[0]: self.setRoot(sBouquetRef) return (True,"All alternative services deleted.") else: return returnValue def toggleLock(self, param): if not config.ParentalControl.configured.value: return (False, "Parent Control is not activated.") sRef = None if "sRef" in param: if param["sRef"] is not None: sRef =param["sRef"] if sRef is None: return (False, "No service given!") if "setuppinactive" in config.ParentalControl.dict().keys() and config.ParentalControl.setuppinactive.value: password = None if "password" in param: if param["password"] is not None: password =param["password"] if password is None: return (False, "No Parent Control Setup Pin given!") else: if password.isdigit(): if int(password) != config.ParentalControl.setuppin.value: return (False, "Parent Control Setup Pin is wrong!") else: return (False, "Parent Control Setup Pin is wrong!") cur_ref = eServiceReference(sRef) protection = parentalControl.getProtectionLevel(cur_ref.toCompareString()) if protection: parentalControl.unProtectService(cur_ref.toCompareString()) else: parentalControl.protectService(cur_ref.toCompareString()) if cur_ref.flags & eServiceReference.mustDescent: serviceType = "Bouquet" else: serviceType = "Service" if protection: if config.ParentalControl.type.value == "blacklist": if parentalControl.blacklist.has_key(sref): if "SERVICE" in parentalControl.blacklist.has_key(sref): protectionText = "Service %s is locked." % self.getName(cur_ref) elif "BOUQUET" in parentalControl.blacklist.has_key(sref): protectionText = "Bouquet %s is locked." % self.getName(cur_ref) else: protectionText = "%s %s is locked." % (serviceType, self.getName(cur_ref)) else: if hasattr(ParentalControl, "whitelist") and parentalControl.whitelist.has_key(sref): if "SERVICE" in parentalControl.whitelist.has_key(sref): protectionText = "Service %s is unlocked." % self.getName(cur_ref) elif "BOUQUET" in parentalControl.whitelist.has_key(sref): protectionText = "Bouquet %s is unlocked." % self.getName(cur_ref) return (True, protectionText) def backupFiles(self, param): filename = param if not filename: filename = self.BACKUP_FILENAME invalidCharacters= re_compile(r'[^A-Za-z0-9_. ]+|^\.|\.$|^ | $|^$') tarFilename= "%s.tar" % invalidCharacters.sub('_', filename) backupFilename = path.join(self.BACKUP_PATH, tarFilename) if path.exists(backupFilename): remove(backupFilename) checkfile = path.join(self.BACKUP_PATH,'.webouquetedit') f = open(checkfile, 'w') if f: files = [] f.write('created with WebBouquetEditor') f.close() files.append(checkfile) files.append("/etc/enigma2/bouquets.tv") files.append("/etc/enigma2/bouquets.radio") files.append("/etc/enigma2/userbouquet.favourites.tv") files.append("/etc/enigma2/userbouquet.favourites.radio") files.append("/etc/enigma2/lamedb") for xml in ("/etc/enigma2/cables.xml", "/etc/enigma2/terrestrial.xml", "/etc/enigma2/satellites.xml", "/etc/tuxbox/cables.xml", "/etc/tuxbox/terrestrial.xml", "/etc/tuxbox/satellites.xml"): if path.exists(xml): files.append(xml) if config.ParentalControl.configured.value: if config.ParentalControl.type.value == "blacklist": files.append("/etc/enigma2/blacklist") else: files.append("/etc/enigma2/whitelist") files += self.getPhysicalFilenamesFromServicereference(eServiceReference('1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.tv" ORDER BY bouquet')) files += self.getPhysicalFilenamesFromServicereference(eServiceReference('1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.radio" ORDER BY bouquet')) tarFiles = "" for arg in files: if not path.exists(arg): return (False, "Error while preparing backup file, %s does not exists." % arg) tarFiles += "%s " % arg lines = popen("tar cvf %s %s" % (backupFilename,tarFiles)).readlines() remove(checkfile) return (True, tarFilename) else: return (False, "Error while preparing backup file.") def getPhysicalFilenamesFromServicereference(self, ref): files = [] serviceHandler = eServiceCenter.getInstance() services = serviceHandler.list(ref) servicelist = services and services.getContent("S", True) for service in servicelist: sref = service pos = sref.find('FROM BOUQUET "') filename = None if pos != -1: sref = sref[pos+14:] pos = sref.find('"') if pos != -1: filename = '/etc/enigma2/' + sref[:pos] # FIXMEEE !!! HARDCODED /etc/enigma2 files.append(filename) files += self.getPhysicalFilenamesFromServicereference(eServiceReference(service)) return files def restoreFiles(self, param): tarFilename = param backupFilename = tarFilename #path.join(self.BACKUP_PATH, tarFilename) if path.exists(backupFilename): check_tar = False lines = popen('tar -tf %s' % backupFilename).readlines() for line in lines: pos = line.find('tmp/.webouquetedit') if pos != -1: check_tar = True break if check_tar: eDVBDB.getInstance().removeServices() files = [] files += self.getPhysicalFilenamesFromServicereference(eServiceReference('1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.tv" ORDER BY bouquet')) files += self.getPhysicalFilenamesFromServicereference(eServiceReference('1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.radio" ORDER BY bouquet')) for bouquetfiles in files: if path.exists(bouquetfiles): remove(bouquetfiles) lines = popen('tar xvf %s -C / --exclude tmp/.webouquetedit' % backupFilename).readlines() nimmanager.readTransponders() eDVBDB.getInstance().reloadServicelist() eDVBDB.getInstance().reloadBouquets() infoBarInstance = InfoBar.instance if infoBarInstance is not None: servicelist = infoBarInstance.servicelist root = servicelist.getRoot() currentref = servicelist.getCurrentSelection() servicelist.setRoot(root) servicelist.setCurrentSelection(currentref) remove(backupFilename) return (True, "Bouquet-settings were restored successfully") else: return (False, "Error, %s was not created with WebBouquetEditor..." % backupFilename) else: return (False, "Error, %s does not exists, restore is not possible..." % backupFilename) def getMutableBouquetList(self, mode): if mode == MODE_TV: self.bouquet_rootstr = '1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.tv" ORDER BY bouquet' else: self.bouquet_rootstr = '1:7:1:0:0:0:0:0:0:0:FROM BOUQUET "bouquets.radio" ORDER BY bouquet' return self.getMutableList(eServiceReference(self.bouquet_rootstr)) def getMutableList(self, ref): serviceHandler = eServiceCenter.getInstance() return serviceHandler.list(ref).startEdit() def setRoot(self, bouquet_rootstr): infoBarInstance = InfoBar.instance if infoBarInstance is not None: servicelist = infoBarInstance.servicelist root = servicelist.getRoot() if bouquet_rootstr == root.toString(): currentref = servicelist.getCurrentSelection() servicelist.setRoot(root) servicelist.setCurrentSelection(currentref) def buildBouquetID(self, str, prefix, mode): tmp = str.lower() name = '' for c in tmp: if (c >= 'a' and c <= 'z') or (c >= '0' and c <= '9'): name += c else: name += '_' # check if file is unique suffix = "" if mode == MODE_TV: suffix = ".tv" else: suffix = ".radio" filename = '/etc/enigma2/' + prefix + name + suffix if path.exists(filename): i = 1 while True: filename = "/etc/enigma2/%s%s_%d%s" %( prefix , name , i, suffix) if path.exists(filename): i += 1 else: name = "%s_%d" % (name,i) break return name def getName(self,ref): serviceHandler = eServiceCenter.getInstance() info = serviceHandler.info(ref) if info: name = info.getName(ref) else: name = "" return name
MOA-2011/e2openplugin-OpenWebif
plugin/controllers/BouquetEditor.py
Python
gpl-2.0
26,057
[ "VisIt" ]
6d26bbadb32a49693eb4948b1127e6d7261afa805437ba2b2ef6c7797fc94760
import blockbuster.bb_logging as log import blockbuster.bb_dbconnector_factory from blockbuster.messaging import bb_sms_handler def go(smsrequest): instance_name = smsrequest.instancename blockbuster.bb_dbconnector_factory.DBConnectorInterfaceFactory().create()\ .add_analytics_record("Count", "Command-START", instance_name) send_welcome_message(smsrequest) return # This method simply sends a 'Welcome' text message to the user def send_welcome_message(smsrequest): blockbuster.bb_logging.logger.info("Sending Welcome Message destination_mobile=\"%s\"", smsrequest.requestormobile) message = "Welcome to Blockbuster! \n" \ "\n" \ "To register a car, text 'REGISTER AB05TYR Firstname Surname'. \n" \ "\n" \ "For more commands text '?'" bb_sms_handler.send_sms_notification(smsrequest.servicenumber, smsrequest.requestormobile, message) return # This method is a WORK IN PROGRESS def workflow_start(smsrequest): print(str.format("Request from: {0}", smsrequest.requestormobile)) # Is the user registered? log.logger.debug("Checking if the mobile number is already registered") # If so - do they have any vehicles registered? log.logger.debug("User already has registered vehicles.") message = "Welcome back, Joe Bloggs! \n" \ "\n" \ "You have the following vehicles registered: \n" \ "\n" \ "Vehicle 1\n" \ "Vehicle 2\n" \ "\n" \ "Text 'REGISTER AB05TYR' to add a vehicle." bb_sms_handler.send_sms_notification(smsrequest.servicenumber, smsrequest.requestormobile, message) # If not - prompt them to add a vehicle log.logger.debug("User has no registered vehicles - prompting to add one.") message = "Welcome back, Joe Bloggs! \n" \ "\n" \ "You don't currently have any vehicles registered." \ "\n" \ "Text 'REGISTER AB05TYR' to add a vehicle." bb_sms_handler.send_sms_notification(smsrequest.servicenumber, smsrequest.requestormobile, message) # Is the user on the blacklist? log.logger.debug("Checking if the mobile number is blacklisted") message = "Welcome back!\n" \ "\n" \ "Messages from this service are currently 'Stopped'.\n" \ "\n" \ "Text 'RESTART' to remove the stop on this number." # In which case - welcome them! log.logger.debug("New user - sending welcome message") message = "Welcome to Blockbuster! \n" \ "\n" \ "To register a car, text 'REGISTER AB05TYR Firstname Surname'. \n" \ "\n" \ "For more info visit http://bit.ly/bbparking or reply 'HELP' for commands." bb_sms_handler.send_sms_notification(smsrequest.servicenumber, smsrequest.requestormobile, message)
mattstibbs/blockbuster-server
blockbuster/workflows/command_start.py
Python
mit
3,306
[ "VisIt" ]
1e82be6a04a31f39e5e642f8c9f3133a6e762877081584403d1f4cf4b34cddec
""" The input data resolution module is a plugin that allows to define VO input data policy in a simple way using existing utilities in DIRAC or extension code supplied by the VO. The arguments dictionary from the Job Wrapper includes the file catalogue result and in principle has all the necessary information to resolve input data for applications. """ __RCSID__ = "$Id$" import types import DIRAC from DIRAC import S_OK, S_ERROR, gLogger from DIRAC.Core.Utilities.ModuleFactory import ModuleFactory from DIRAC.WorkloadManagementSystem.Client.PoolXMLSlice import PoolXMLSlice from DIRAC.ConfigurationSystem.Client.Helpers.Operations import Operations COMPONENT_NAME = 'InputDataResolution' CREATE_CATALOG = False class InputDataResolution( object ): """ Defines the Input Data Policy """ ############################################################################# def __init__( self, argumentsDict ): """ Standard constructor """ self.arguments = argumentsDict self.name = COMPONENT_NAME self.log = gLogger.getSubLogger( self.name ) self.arguments.setdefault( 'Configuration', {} )['AllReplicas'] = Operations().getValue( 'InputDataPolicy/AllReplicas', False ) # By default put input data into the current directory self.arguments.setdefault( 'InputDataDirectory', 'CWD' ) ############################################################################# def execute( self ): """Given the arguments from the Job Wrapper, this function calls existing utilities in DIRAC to resolve input data. """ resolvedInputData = self.__resolveInputData() if not resolvedInputData['OK']: self.log.error( 'InputData resolution failed with result:\n%s' % ( resolvedInputData['Message'] ) ) return resolvedInputData # For local running of this module we can expose an option to ignore missing files ignoreMissing = self.arguments.get( 'IgnoreMissing', False ) # Missing some of the input files is a fatal error unless ignoreMissing option is defined failedReplicas = resolvedInputData['Value'].get( 'Failed', {} ) if failedReplicas and not ignoreMissing: self.log.error( 'Failed to obtain access to the following files:\n%s' % ( '\n'.join( sorted( failedReplicas ) ) ) ) return S_ERROR( 'Failed to access some of requested input data' ) if not resolvedInputData['Value'].get( 'Successful' ): return S_ERROR( 'Could not access any requested input data' ) if CREATE_CATALOG: res = self._createCatalog( resolvedInputData ) if not res['OK']: return res return resolvedInputData ############################################################################# def _createCatalog( self, resolvedInputData, catalogName = 'pool_xml_catalog.xml', pfnType = 'ROOT_All' ): """ By default uses PoolXMLSlice, VO extensions can modify at will """ resolvedData = resolvedInputData['Successful'] tmpDict = {} for lfn, mdata in resolvedData.items(): tmpDict[lfn] = mdata tmpDict[lfn]['pfntype'] = pfnType self.log.verbose( 'Adding PFN file type %s for LFN:%s' % ( pfnType, lfn ) ) catalogName = self.arguments['Configuration'].get( 'CatalogName', catalogName ) self.log.verbose( 'Catalog name will be: %s' % catalogName ) resolvedData = tmpDict appCatalog = PoolXMLSlice( catalogName ) return appCatalog.execute( resolvedData ) ############################################################################# def __resolveInputData( self ): """This method controls the execution of the DIRAC input data modules according to the VO policy defined in the configuration service. """ site = self.arguments['Configuration'].get( 'SiteName', DIRAC.siteName() ) self.arguments.setdefault( 'Job', {} ) policy = self.arguments['Job'].get( 'InputDataPolicy', [] ) if policy: # In principle this can be a list of modules with the first taking precedence if type( policy ) in types.StringTypes: policy = [policy] self.log.info( 'Job has a specific policy setting: %s' % ( ', '.join( policy ) ) ) else: self.log.debug( 'Attempting to resolve input data policy for site %s' % site ) inputDataPolicy = Operations().getOptionsDict( 'InputDataPolicy' ) if not inputDataPolicy['OK']: return S_ERROR( 'Could not resolve InputDataPolicy from Operations InputDataPolicy' ) options = inputDataPolicy['Value'] policy = options.get( site, options.get( 'Default', [] ) ) if policy: policy = [x.strip() for x in policy.split( ',' )] if site in options: prStr = 'Found specific' else: prStr = 'Applying default' self.log.info( '%s input data policy for site %s:\n%s' % ( prStr, site, '\n'.join( policy ) ) ) dataToResolve = [] # if none, all supplied input data is resolved successful = {} for modulePath in policy: result = self.__runModule( modulePath, dataToResolve ) if not result['OK']: self.log.warn( 'Problem during %s execution' % modulePath ) return result result = result['Value'] successful.update( result.get( 'Successful', {} ) ) dataToResolve = result.get( 'Failed', [] ) if dataToResolve: self.log.info( '%s failed for the following files:\n%s' % ( modulePath, '\n'.join( dataToResolve ) ) ) else: self.log.info( 'All replicas resolved after %s execution' % ( modulePath ) ) break if successful: self.log.verbose( 'Successfully resolved:', str( successful ) ) return S_OK( {'Successful': successful, 'Failed':dataToResolve} ) ############################################################################# def __runModule( self, modulePath, remainingReplicas ): """This method provides a way to run the modules specified by the VO that govern the input data access policy for the current site. Using the InputDataPolicy section from Operations different modules can be defined for particular sites or for InputDataPolicy defined in the JDL of the jobs. """ self.log.info( 'Attempting to run %s' % ( modulePath ) ) moduleFactory = ModuleFactory() moduleInstance = moduleFactory.getModule( modulePath, self.arguments ) if not moduleInstance['OK']: return moduleInstance module = moduleInstance['Value'] result = module.execute( remainingReplicas ) return result # EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#EOF#
rajanandakumar/DIRAC
WorkloadManagementSystem/Client/InputDataResolution.py
Python
gpl-3.0
6,629
[ "DIRAC" ]
89d450ba9079dcb09c8ee6b8bf97d8246432b942138394b360cdb399b7ce58f6
# GLOBAL IMPORTS #import pysam # from pysam 0.8.1 #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~# class Interval(object): """ @class Reference @brief Object oriented class containing informations of genomic interval """ #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~# #~~~~~~~CLASS FIELDS~~~~~~~# Instances = [] # Class field used for instance tracking id_count = 1 #~~~~~~~CLASS METHODS~~~~~~~# @ classmethod def next_id (self): cur_id = self.id_count self.id_count +=1 return cur_id @ classmethod def countInstances (self): return len(self.Instances) @ classmethod def getInstances (self): return self.Instances @ classmethod def printInstances (self): for inter in self.Instances: print (inter) @ classmethod def resetInstances (self): self.Instances = [] self.id_count = 0 @ classmethod def get_read (self): read_list =[] for i in self.Instances: read_list.extend(i.read_list) return read_list @ classmethod def get_report (self): report = [["ref_name", "start", "end", "name", "nread"]] report += [[i.ref_name, i.start, i.end, i.name, i.nread] for i in self.Instances] return report @ classmethod def resetReadCount (self): for inter in self.Instances: inter.nread=0 @ classmethod def resetReadList (self): for inter in self.Instances: inter.read_list=[] #~~~~~~~FONDAMENTAL METHODS~~~~~~~# def __init__(self, ref_name, start, end, name="-"): """ @param ref_name Name of the reference sequence @param start Start coordinates of the interval (INT) @param end End coordinates of the interval (INT) @param name Facultative name of the interval """ # Store object variables self.id = self.next_id() self.ref_name = ref_name self.name = name # Store start and end in crescent order if start <= end: self.start, self.end = start, end else: self.start, self.end = end, start # Define additional variables self.nread = 0 self.read_list = [] # Add the instance to the class instance tracking list self.Instances.append(self) def __str__(self): return "{} [{}:{}] {} = {} reads found".format( self.ref_name, self.start, self.end, self.name, self.nread) def __repr__(self): return "<Instance of {} from {} >\n".format(self.__class__.__name__, self.__module__) def __len__(self): return self.nread def get(self, key): return self.__dict__[key] def set(self, key, value): self.__dict__[key] = value #~~~~~~~PUBLIC METHODS~~~~~~~# def is_overlapping (self, ref_name, start, end): # Reverse value order if negative order if start > end: start, end = end, start return ref_name == self.ref_name and start <= self.start and end >= self.end def add_read (self, read): """ Add a read to read_list and update the counter """ self.read_list.append(read) self.nread+=1 def sort_read (self): """ sort read in read_list according to their leftmost position """ self.read_list.sort(key = lambda x: x.pos)
a-slide/Find_overlap_reads
Find_overlap_read_src/Interval.py
Python
gpl-2.0
3,643
[ "pysam" ]
0e9bd3463fe1bff38903dc5cd0dfcb0b1a44a4035cdcd14fa3be1caa16cb2774
#! /usr/bin/env python # # Author: Sergey Savchenko (savchenko.s.s@gmail.com) # from threading import Thread import subprocess from math import hypot, log10, sqrt from time import time, sleep import urllib.request import urllib import sys import os import glob import shutil import argparse import bz2 import numpy as np from astropy.io import fits try: from astropy.wcs import WCS wcsOK = True except ImportError: wcsOK = False def move(src, dst): if not os.path.isfile(src): print("File %s not found and cannot be moved") return shutil.copy(src, dst) os.remove(src) def findField2(objRA, objDEC, radius): request = "http://skyserver.sdss.org/dr16/en/tools/search/x_results.aspx?" request += "searchtool=Radial&uband=&gband=&rband=&iband=&zband=&jband=&hband=&kband=" request += "&TaskName=Skyserver.Search.Radial&ReturnHtml=true&whichphotometry=optical&" request += "coordtype=equatorial&ra=%1.5f&dec=%1.5f" % (objRA, objDEC) if radius < 0.01: request += "&radius=2" else: request += "&radius=%1.2f" % (radius) request += "&min_u=0&max_u=20&min_g=0&max_g=20&min_r=0&max_r=20&min_i=0&max_i=20" request += "&min_z=0&max_z=20&min_j=0&max_j=20&min_h=0&max_h=20&min_k=0&max_k=20" request += "&format=csv&TableName=&limit=99999" u = urllib.request.urlopen(request) table = u.read().decode().split("\n") optRun = None optRerun = None optCamcol = None optField = None optObjID = None # Find the nearest object and the corresponding field minDist = 1e10 for line in table: # ignore comments, header and footer of table if (len(line) == 0) or (not line[0].isdigit()): continue objParams = line.split(',') objID = int(objParams[0]) run = int(objParams[1]) rerun = int(objParams[2]) camcol = int(objParams[3]) field = int(objParams[4]) ra = float(objParams[7]) dec = float(objParams[8]) dist = hypot(objRA - ra, objDEC - dec) if dist < minDist: minDist = dist optObjID = objID optRun = run optRerun = rerun optCamcol = camcol optField = field fList = [(optRun, optRerun, optCamcol, optField)] if radius < 0.001: return fList, optObjID else: for line in table: # ignore comments, header and footer of table if (len(line) == 0) or (not line[0].isdigit()): continue objParams = line.split(',') run = int(objParams[1]) rerun = int(objParams[2]) camcol = int(objParams[3]) field = int(objParams[4]) if (run, rerun, camcol, field) not in fList: fList.append((run, rerun, camcol, field)) return fList, optObjID def getUrl(run, rerun, camcol, field, band): u = "http://dr16.sdss.org/sas/dr16/eboss/photoObj/frames/" u += "%s/%i/%i/frame-%s-%.6i-%i-%.4i.fits.bz2" % (rerun, run, camcol, band, run, camcol, field) return u def testUrlExists(url): try: u = urllib.request.urlopen(url) code = u.code meta = u.info() file_size = int(meta["Content-Length"]) if code == 200: return file_size return -1 except urllib.request.HTTPError: return -1 def download(url, passband, file_name): fName = "./downloads/%s_%s.fits" % (file_name, passband) if passband != "ps": # PSF-files are not compressed on SDSS servers fName += ".bz2" try: urllib.request.urlretrieve(url, fName) except urllib.request.HTTPError: print("") return -1 def threadsAlive(listOfThreads): for th in listOfThreads: if th.is_alive(): return True return False # some sdss functions are below def prep_ima(gal): new_gal = "./prep_ima_tmp.fits" # This function re-writes pixel values given in NMgy to ADU hdulist = fits.open(gal, do_not_scale_image_data=True, mode='update') img = hdulist[0].data (dimy, dimx) = img.shape cimg = np.zeros(shape=(dimy, dimx)) calib = hdulist[1].data for i in range(dimy): cimg[i] = calib dn = img/cimg shutil.copy(gal, new_gal) hdulist1 = fits.open(new_gal, do_not_scale_image_data=True, mode='update') img_new = hdulist1[0].data for i in range(dimy): for k in range(dimx): img_new[i, k] = dn[i, k] # new fits-file img_new with ADU hdulist1.flush() os.remove(gal) move(new_gal, gal) def change_m0(fitsName, oldM0Value, refM0): # function changes value of magnitude zeropoint to a given one hdulist = fits.open(fitsName) data = hdulist[0].data header = hdulist[0].header deltaM0 = refM0 - oldM0Value data = data * (10.0**(0.4*deltaM0)) outHDU = fits.PrimaryHDU(data=data, header=header) outHDU.writeto("tmp.fits") os.remove(fitsName) move("tmp.fits", fitsName) def gain_dark_SDSS(camcol, band, run): if band == 'u': if camcol == 1: gaidark = [1.62, 9.61] if camcol == 2: if run < 1100: gaidark = [1.595, 12.6025] else: gaidark = [1.825, 12.6025] if camcol == 3: gaidark = [1.59, 8.7025] if camcol == 4: gaidark = [1.6, 12.6025] if camcol == 5: gaidark = [1.47, 9.3025] if camcol == 6: gaidark = [2.17, 7.0225] if band == 'g': if camcol == 1: gaidark = [3.32, 15.6025] if camcol == 2: gaidark = [3.855, 1.44] if camcol == 3: gaidark = [3.845, 1.3225] if camcol == 4: gaidark = [3.995, 1.96] if camcol == 5: gaidark = [4.05, 1.1025] if camcol == 6: gaidark = [4.035, 1.8225] if band == 'r': if camcol == 1: gaidark = [4.71, 1.8225] if camcol == 2: gaidark = [4.6, 1.00] if camcol == 3: gaidark = [4.72, 1.3225] if camcol == 4: gaidark = [4.76, 1.3225] if camcol == 5: gaidark = [4.725, 0.81] if camcol == 6: gaidark = [4.895, 0.9025] if band == 'i': if camcol == 1: gaidark = [5.165, 7.84] if camcol == 2: if run < 1500: gaidark = [6.565, 5.76] if run > 1500: gaidark = [6.565, 6.25] if camcol == 3: gaidark = [4.86, 4.6225] if camcol == 4: if run < 1500: gaidark = [4.885, 6.25] if run > 1500: gaidark = [4.885, 7.5625] if camcol == 5: gaidark = [4.64, 7.84] if camcol == 6: gaidark = [4.76, 5.0625] if band == 'z': if camcol == 1: gaidark = [4.745, 0.81] if camcol == 2: gaidark = [5.155, 1.0] if camcol == 3: gaidark = [4.885, 1.0] if camcol == 4: if run < 1500: gaidark = [4.775, 9.61] if run > 1500: gaidark = [4.775, 12.6025] if camcol == 5: if run < 1500: gaidark = [3.48, 1.8225] if run > 1500: gaidark = [3.48, 2.1025] if camcol == 6: gaidark = [4.69, 1.21] return gaidark[0], gaidark[1] def SDSS_dr8(gal_image): # http://data.sdss3.org/datamodel/files/BOSS_PHOTOOBJ/ # frames/RERUN/RUN/CAMCOL/frame.html hdulist = fits.open(gal_image) prihdr = hdulist[0].header run = int(prihdr['RUN']) band = str(prihdr['FILTER']) camcol = int(prihdr['CAMCOL']) kkk = prihdr['NMGY'] m0 = 22.5 - 2.5*log10(kkk) GAIN, var = gain_dark_SDSS(camcol, band, run) read_out_noise = sqrt(var)*GAIN # should be <~5 e return GAIN, read_out_noise, m0 def bunzip(zipName): bzipFile = bz2.BZ2File(zipName) data = bzipFile.read() outName = zipName[:-4] if os.path.isfile(outName): os.remove(outName) outFile = open(outName, 'wb') outFile.write(data) outFile.close() os.remove(zipName) def reduce_to_same_m0(listOfImages): GAINList = [] READOUTList = [] m0List = [] for i, fName in enumerate(listOfImages): bunzip("%s.bz2" % fName) prep_ima(fName) GAIN, READOUT, m0 = SDSS_dr8(fName) if i == 0: refM0 = m0 else: change_m0(fName, m0, refM0) GAINList.append(GAIN) READOUTList.append(READOUT) hdu = fits.open(fName, do_not_scale_image_data=True, mode="update") header = hdu[0].header header["M0"] = refM0 header["EXPTIME"] = 1.0 hdu.flush() return GAINList, READOUTList, m0List, refM0 # parsing the argument line here parser = argparse.ArgumentParser(description="Download fits-files of fields for specified coordinates") parser.add_argument("filters", help="List of filters (for example gri or uiz)") parser.add_argument("-i", "--input", default="coordinates.dat", help="File with coordinates to download") parser.add_argument("-a", "--adjacent", action="store_true", default=False, help="Download adjacent fields if any exist") parser.add_argument("-s", "--swarp", action="store_true", default=False, help="Concatenate fields using SWarp package") parser.add_argument("-c", "--convert", action="store_true", default=False, help="Convert fields to the same photometry zeropoint") parser.add_argument("-f", "--free", action="store_true", default=False, help="Remove individual fields after concatenation") parser.add_argument("-t", "--trim", action="store_true", default=False, help="Crop image to galaxy size") parser.add_argument("--scatter", action="store_true", default=False, help="Put every object in a separate directory") parser.add_argument("--add_urls", default=None, help="File with additional urls of fields for objects") parser.add_argument("--add_fields", default=None, help="File wuth additional run,rerun,camcol,fields data for objects") args = parser.parse_args() bandlist = args.filters # Make dirs for all bands and psf in case all files for the same # colour are in the same directories (scatter option is turned off) if not args.scatter: for band in bandlist: if not os.path.exists("./downloads/%s" % (band)): os.makedirs("./downloads/%s" % (band)) else: # if every object will be placed in the separate directory # (scatter option is on) create just the main downloads directory for now if not os.path.exists("./downloads/"): os.makedirs("./downloads/") if args.swarp: # Check what name has SWarp package on this system rCode = subprocess.call("which swarp >/dev/null", shell=True) if rCode == 0: swarpName = "swarp" else: rCode = subprocess.call("which SWarp >/dev/null", shell=True) if rCode == 0: swarpName = "SWarp" else: print("\033[31m Error: SWarp was not found on your system.\033[0m") print("\033[31m The command has to be either 'swarp' or 'SWarp'\033[0m") print("\033[31m Intall SWarp package or try to run this script without -s option.\033[0m") exit(1) listOfCoords = [lst for lst in open(args.input).readlines() if not lst.startswith("#")] counter = 0 errFile = open("errors_404.dat", "w", buffering=1) with open("fields.dat", "w", buffering=1) as outFile: for line in listOfCoords: counter += 1 params = line.split() if (len(params) in (3, 4)) or ((len(params) == 4) and (args.adjacent is True)): galName = params[0] ra = float(params[1]) dec = float(params[2]) if args.adjacent is True: r_adj = float(params[3]) else: r_adj = 0.0 msg = "\033[33m Downloading field for " msg += "%1.5f %1.5f: '%s' (%i/%i) \033[0m" % (ra, dec, galName, counter, len(listOfCoords)) print(msg) else: print("Invalid number of columns in input file %s" % args.input) sys.exit(1) objFieldList, objID = findField2(ra, dec, r_adj) if objID is None: print("\033[31m Error! No object was found at given coordinates.\033[0m") print("\033[31m This area is probably outside of the SDSS footprint.\033[0m") errFile.write("%s %1.6f %1.6f \n" % (galName, ra, dec)) continue if len(objFieldList) > 1: print("There are %i files for this object" % (len(objFieldList))) outFile.write("%s %1.6f %1.6f " % (galName, ra, dec)) for ifield in range(len(objFieldList)): startTime = time() if len(objFieldList) > 1: print("Downloading (%i/%i)" % (ifield + 1, len(objFieldList))) curGalName = galName + "_" + str(ifield) else: curGalName = galName + "_0" run, rerun, camcol, field = objFieldList[ifield] # Check if fits files exist for all filters: print(" Checking file existense:") allExist = True urls = {} for band in bandlist: print(" %s" % (band), end="") url = getUrl(run, rerun, camcol, field, band) answer = testUrlExists(url) if answer == -1: allExist = False print("\033[31m [Fail!] \033[0m\n") break print("\033[32m [OK] \033[0m (%i bytes)" % (answer)) urls[band] = url if not allExist: errFile.write("%s %1.6f %1.6f \n" % (galName, ra, dec)) continue downloadThreads = [] # Downloading files in all passbands for band in bandlist: dth = Thread(target=download, args=(urls[band], band, curGalName)) dth.daemon = True dth.start() downloadThreads.append(dth) print(" Downloading", end="") while threadsAlive(downloadThreads): sys.stdout.write(".") sys.stdout.flush() sleep(0.333) sys.stdout.write(".") sys.stdout.flush() sleep(0.333) sys.stdout.write(".") sys.stdout.flush() sleep(0.333) sys.stdout.write("\b\b\b \b\b\b") sys.stdout.flush() sleep(0.333) msg = " \033[34m [DONE] \033[0m " msg += "(%1.2f sec)\n\n" % (time()-startTime) print(msg) outFile.write(" %s.fits " % (curGalName)) outFile.write("\n") # If there are additional urls if (args.add_fields is not None) or (args.add_urls is not None): addNames = {band: [] for band in bandlist} else: addNames = None if args.add_urls is not None: for line in open(args.add_urls): if line.split()[0] == galName: listOfAddUrls = line.split()[1:] thereAreAddFields = True for band in bandlist: for url in listOfAddUrls: urlBand = url.replace("*", band) outNameAdd = "./downloads/%s_%s" % (galName, urlBand.split("/")[-1]) addNames[band].append(outNameAdd[:-4]) print("Downloading additional field %s" % (outNameAdd)) subprocess.call("wget -nv -O %s %s" % (outNameAdd, urlBand), shell=True) break if args.add_fields is not None: for line in open(args.add_fields): if line.split(":")[0] == galName: listOfAddFields = line.split(":")[1] for runData in listOfAddFields.split(";"): run = int(runData.split()[0]) rerun = int(runData.split()[1]) camcol = int(runData.split()[2]) field = int(runData.split()[3]) for band in bandlist: url = getUrl(run, rerun, camcol, field, band) outNameAdd = "./downloads/%s_%s" % (galName, url.split("/")[-1]) addNames[band].append(outNameAdd[:-4]) print("Downloading additional field %s" % (outNameAdd)) subprocess.call("wget -nv -O %s %s" % (outNameAdd, url), shell=True) # Concatenating fields if args.swarp and ((len(objFieldList) > 1) or (addNames is not None)): for band in bandlist: listOfImages = ["./downloads/%s_%i_%s.fits" % (galName, i, band) for i in range(len(objFieldList))] if (args.add_urls is not None) or (args.add_fields is not None): listOfImages.extend(addNames[band]) if args.convert: GAINList, READOUTList, m0List, refM0 = reduce_to_same_m0(listOfImages) print("Running SWarp for %s band..." % (band)) callSt = "%s -verbose_type quiet -BACK_TYPE MANUAL " % (swarpName) callSt += " ".join(["%s[0]" % (s) for s in listOfImages]) subprocess.call(callSt, shell="True") move("./coadd.fits", "./downloads/%s_%s.fits" % (galName, band)) os.remove("coadd.weight.fits") os.remove("swarp.xml") if args.free: for fN in listOfImages: os.remove(fN) # store mean keywords to coadded file if args.convert: hdu = fits.open("./downloads/%s_%s.fits" % (galName, band), do_not_scale_image_data=True, mode="update") header = hdu[0].header header["GAIN"] = np.mean(GAINList) header["READOUT"] = np.mean(READOUTList) header["M0"] = refM0 header["EXPTIME"] = 1.0 hdu.flush() # Convert singlefield images if args.convert and ((len(objFieldList) == 1) and (addNames is None)): for band in bandlist: fName = "./downloads/%s_0_%s.fits" % (galName, band) bunzip("%s.bz2" % (fName)) prep_ima(fName) GAIN, READOUT, m0 = SDSS_dr8(fName) hdu = fits.open(fName, do_not_scale_image_data=True, mode="update") header = hdu[0].header header["M0"] = m0 header["EXPTIME"] = 1.0 hdu.flush() move("./downloads/%s_0_%s.fits" % (galName, band), "./downloads/%s_%s.fits" % (galName, band)) # Crop images if args.trim and (not wcsOK): print("Astropy module was not found. Images cannot be trimmed") elif args.trim and wcsOK: print("Cropping...") # At first determine the common size of cropping area # (so all images will be of the same size) pixelCoords = {} cropSizes = [] for band in bandlist: fName = "./downloads/%s_%s.fits" % (galName, band) hdu = fits.open(fName) data = hdu[0].data wcs = WCS(fName) xGalPix, yGalPix = wcs.wcs_world2pix([[ra, dec]], 1)[0] size = min(r_adj*60.0/0.396127, xGalPix, yGalPix, data.shape[1]-xGalPix, data.shape[0]-yGalPix) hdu.close() pixelCoords[band] = (int(xGalPix), int(yGalPix)) cropSizes.append(size) commonCropSize = int(min(cropSizes)) for band in bandlist: fName = "./downloads/%s_%s.fits" % (galName, band) hdu = fits.open(fName) data = hdu[0].data header = hdu[0].header xCropMin = pixelCoords[band][0] - commonCropSize xCropMax = pixelCoords[band][0] + commonCropSize yCropMin = pixelCoords[band][1] - commonCropSize yCropMax = pixelCoords[band][1] + commonCropSize data = data[yCropMin:yCropMax, xCropMin:xCropMax] outHDU = fits.PrimaryHDU(data=data, header=header) fOutName = "./downloads/%s_%s_trim.fits" % (galName, band) if os.path.exists(fOutName): os.remove(fOutName) outHDU.writeto(fOutName) hdu.close() if args.free: os.remove(fName) # Downloading and processing are finished. Now we have to place files to folders # according to scatter option if args.scatter: # every object has separate filder, where all files related to this object # are located fileList = glob.glob("./downloads/%s*.fits" % (galName)) dst = "./downloads/%s/" % (galName) if not os.path.exists(dst): os.mkdir(dst) for src in fileList: move(src, dst) else: # scatter option is off, so all images taken in the same passband # will be in the same folder. for band in bandlist: fileList = glob.glob("./downloads/%s_*%s.fits" % (galName, band)) if args.trim: fileList.append("./downloads/%s_%s_trim.fits" % (galName, band)) dst = "./downloads/%s/" % (band) for src in fileList: if os.path.exists(src): move(src, dst)
latrop/sdss_downloader
sdss_downloader.py
Python
gpl-3.0
22,627
[ "Galaxy" ]
dc4da2409a7cb493bc364dce9a57a6270c84382a63dd495d1daedda2b688df09
from typing import List, Tuple import numpy as np from deepchem.utils.typing import RDKitAtom, RDKitBond, RDKitMol from deepchem.feat.graph_data import GraphData from deepchem.feat.base_classes import MolecularFeaturizer from deepchem.utils.molecule_feature_utils import get_atom_type_one_hot from deepchem.utils.molecule_feature_utils import construct_hydrogen_bonding_info from deepchem.utils.molecule_feature_utils import get_atom_hydrogen_bonding_one_hot from deepchem.utils.molecule_feature_utils import get_atom_hybridization_one_hot from deepchem.utils.molecule_feature_utils import get_atom_total_num_Hs_one_hot from deepchem.utils.molecule_feature_utils import get_atom_is_in_aromatic_one_hot from deepchem.utils.molecule_feature_utils import get_atom_chirality_one_hot from deepchem.utils.molecule_feature_utils import get_atom_formal_charge from deepchem.utils.molecule_feature_utils import get_atom_partial_charge from deepchem.utils.molecule_feature_utils import get_atom_total_degree_one_hot from deepchem.utils.molecule_feature_utils import get_bond_type_one_hot from deepchem.utils.molecule_feature_utils import get_bond_is_in_same_ring_one_hot from deepchem.utils.molecule_feature_utils import get_bond_is_conjugated_one_hot from deepchem.utils.molecule_feature_utils import get_bond_stereo_one_hot def _construct_atom_feature( atom: RDKitAtom, h_bond_infos: List[Tuple[int, str]], use_chirality: bool, use_partial_charge: bool) -> np.ndarray: """Construct an atom feature from a RDKit atom object. Parameters ---------- atom: rdkit.Chem.rdchem.Atom RDKit atom object h_bond_infos: List[Tuple[int, str]] A list of tuple `(atom_index, hydrogen_bonding_type)`. Basically, it is expected that this value is the return value of `construct_hydrogen_bonding_info`. The `hydrogen_bonding_type` value is "Acceptor" or "Donor". use_chirality: bool Whether to use chirality information or not. use_partial_charge: bool Whether to use partial charge data or not. Returns ------- np.ndarray A one-hot vector of the atom feature. """ atom_type = get_atom_type_one_hot(atom) formal_charge = get_atom_formal_charge(atom) hybridization = get_atom_hybridization_one_hot(atom) acceptor_donor = get_atom_hydrogen_bonding_one_hot(atom, h_bond_infos) aromatic = get_atom_is_in_aromatic_one_hot(atom) degree = get_atom_total_degree_one_hot(atom) total_num_Hs = get_atom_total_num_Hs_one_hot(atom) atom_feat = np.concatenate([ atom_type, formal_charge, hybridization, acceptor_donor, aromatic, degree, total_num_Hs ]) if use_chirality: chirality = get_atom_chirality_one_hot(atom) atom_feat = np.concatenate([atom_feat, chirality]) if use_partial_charge: partial_charge = get_atom_partial_charge(atom) atom_feat = np.concatenate([atom_feat, partial_charge]) return atom_feat def _construct_bond_feature(bond: RDKitBond) -> np.ndarray: """Construct a bond feature from a RDKit bond object. Parameters --------- bond: rdkit.Chem.rdchem.Bond RDKit bond object Returns ------- np.ndarray A one-hot vector of the bond feature. """ bond_type = get_bond_type_one_hot(bond) same_ring = get_bond_is_in_same_ring_one_hot(bond) conjugated = get_bond_is_conjugated_one_hot(bond) stereo = get_bond_stereo_one_hot(bond) return np.concatenate([bond_type, same_ring, conjugated, stereo]) class MolGraphConvFeaturizer(MolecularFeaturizer): """This class is a featurizer of general graph convolution networks for molecules. The default node(atom) and edge(bond) representations are based on `WeaveNet paper <https://arxiv.org/abs/1603.00856>`_. If you want to use your own representations, you could use this class as a guide to define your original Featurizer. In many cases, it's enough to modify return values of `construct_atom_feature` or `construct_bond_feature`. The default node representation are constructed by concatenating the following values, and the feature length is 30. - Atom type: A one-hot vector of this atom, "C", "N", "O", "F", "P", "S", "Cl", "Br", "I", "other atoms". - Formal charge: Integer electronic charge. - Hybridization: A one-hot vector of "sp", "sp2", "sp3". - Hydrogen bonding: A one-hot vector of whether this atom is a hydrogen bond donor or acceptor. - Aromatic: A one-hot vector of whether the atom belongs to an aromatic ring. - Degree: A one-hot vector of the degree (0-5) of this atom. - Number of Hydrogens: A one-hot vector of the number of hydrogens (0-4) that this atom connected. - Chirality: A one-hot vector of the chirality, "R" or "S". (Optional) - Partial charge: Calculated partial charge. (Optional) The default edge representation are constructed by concatenating the following values, and the feature length is 11. - Bond type: A one-hot vector of the bond type, "single", "double", "triple", or "aromatic". - Same ring: A one-hot vector of whether the atoms in the pair are in the same ring. - Conjugated: A one-hot vector of whether this bond is conjugated or not. - Stereo: A one-hot vector of the stereo configuration of a bond. If you want to know more details about features, please check the paper [1]_ and utilities in deepchem.utils.molecule_feature_utils.py. Examples -------- >>> smiles = ["C1CCC1", "C1=CC=CN=C1"] >>> featurizer = MolGraphConvFeaturizer(use_edges=True) >>> out = featurizer.featurize(smiles) >>> type(out[0]) <class 'deepchem.feat.graph_data.GraphData'> >>> out[0].num_node_features 30 >>> out[0].num_edge_features 11 References ---------- .. [1] Kearnes, Steven, et al. "Molecular graph convolutions: moving beyond fingerprints." Journal of computer-aided molecular design 30.8 (2016):595-608. Notes ----- This class requires RDKit to be installed. """ def __init__(self, use_edges: bool = False, use_chirality: bool = False, use_partial_charge: bool = False): """ Parameters ---------- use_edges: bool, default False Whether to use edge features or not. use_chirality: bool, default False Whether to use chirality information or not. If True, featurization becomes slow. use_partial_charge: bool, default False Whether to use partial charge data or not. If True, this featurizer computes gasteiger charges. Therefore, there is a possibility to fail to featurize for some molecules and featurization becomes slow. """ try: from rdkit.Chem import AllChem # noqa except ModuleNotFoundError: raise ImportError("This method requires RDKit to be installed.") self.use_edges = use_edges self.use_partial_charge = use_partial_charge self.use_chirality = use_chirality def _featurize(self, mol: RDKitMol) -> GraphData: """Calculate molecule graph features from RDKit mol object. Parameters ---------- mol: rdkit.Chem.rdchem.Mol RDKit mol object. Returns ------- graph: GraphData A molecule graph with some features. """ if self.use_partial_charge: try: mol.GetAtomWithIdx(0).GetProp('_GasteigerCharge') except: # If partial charges were not computed from rdkit.Chem import AllChem AllChem.ComputeGasteigerCharges(mol) # construct atom (node) feature h_bond_infos = construct_hydrogen_bonding_info(mol) atom_features = np.asarray( [ _construct_atom_feature(atom, h_bond_infos, self.use_chirality, self.use_partial_charge) for atom in mol.GetAtoms() ], dtype=np.float, ) # construct edge (bond) index src, dest = [], [] for bond in mol.GetBonds(): # add edge list considering a directed graph start, end = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx() src += [start, end] dest += [end, start] # construct edge (bond) feature bond_features = None # deafult None if self.use_edges: bond_features = [] for bond in mol.GetBonds(): bond_features += 2 * [_construct_bond_feature(bond)] bond_features = np.asarray(bond_features, dtype=np.float) return GraphData( node_features=atom_features, edge_index=np.asarray([src, dest], dtype=np.int), edge_features=bond_features)
lilleswing/deepchem
deepchem/feat/molecule_featurizers/mol_graph_conv_featurizer.py
Python
mit
8,431
[ "RDKit" ]
7a5083f9a02ff1ce94f69c1f353afb0a360b6866fca595f444e688a5fc25cebd
#!/usr/bin/env python # NOTE: multiprocessing import required for issues with nose tests. # See: http://bugs.python.org/issue15881#msg170215 import multiprocessing from setuptools import setup setup( name='reference_genome_maker', version='0.1', author='Church Lab', author_email='gleb@mit.edu', maintainer='Gleb Kuznetsov', maintainer_email='gleb@mit.edu', url='http://churchlab.github.io/millstone/', package_dir={'': 'src'}, packages=['reference_genome_maker'], install_requires=[ 'biopython >= 1.6.1', 'PyVCF >= 0.6.7' ], test_suite='nose.collector', )
churchlab/reference_genome_maker
setup.py
Python
mit
624
[ "Biopython" ]
8ee618dc982f4109d146048076b99971df8300dc262bbf91afbeaa667a29cb88
#!/usr/bin/env python # Copyright 2015 The Kubernetes Authors. # # 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. import base64 import os import re import random import shutil import socket import string import json import charms.leadership from shlex import split from subprocess import check_call from subprocess import check_output from subprocess import CalledProcessError from charms import layer from charms.layer import snap from charms.reactive import hook from charms.reactive import remove_state from charms.reactive import set_state from charms.reactive import is_state from charms.reactive import when, when_any, when_not from charms.reactive.helpers import data_changed from charms.kubernetes.common import get_version from charms.kubernetes.common import retry from charms.kubernetes.flagmanager import FlagManager from charmhelpers.core import hookenv from charmhelpers.core import host from charmhelpers.core import unitdata from charmhelpers.core.templating import render from charmhelpers.fetch import apt_install from charmhelpers.contrib.charmsupport import nrpe # Override the default nagios shortname regex to allow periods, which we # need because our bin names contain them (e.g. 'snap.foo.daemon'). The # default regex in charmhelpers doesn't allow periods, but nagios itself does. nrpe.Check.shortname_re = '[\.A-Za-z0-9-_]+$' os.environ['PATH'] += os.pathsep + os.path.join(os.sep, 'snap', 'bin') def service_cidr(): ''' Return the charm's service-cidr config ''' db = unitdata.kv() frozen_cidr = db.get('kubernetes-master.service-cidr') return frozen_cidr or hookenv.config('service-cidr') def freeze_service_cidr(): ''' Freeze the service CIDR. Once the apiserver has started, we can no longer safely change this value. ''' db = unitdata.kv() db.set('kubernetes-master.service-cidr', service_cidr()) @hook('upgrade-charm') def reset_states_for_delivery(): '''An upgrade charm event was triggered by Juju, react to that here.''' migrate_from_pre_snaps() install_snaps() remove_state('authentication.setup') remove_state('kubernetes-master.components.started') def rename_file_idempotent(source, destination): if os.path.isfile(source): os.rename(source, destination) def migrate_from_pre_snaps(): # remove old states remove_state('kubernetes.components.installed') remove_state('kubernetes.dashboard.available') remove_state('kube-dns.available') remove_state('kubernetes-master.app_version.set') # disable old services services = ['kube-apiserver', 'kube-controller-manager', 'kube-scheduler'] for service in services: hookenv.log('Stopping {0} service.'.format(service)) host.service_stop(service) # rename auth files os.makedirs('/root/cdk', exist_ok=True) rename_file_idempotent('/etc/kubernetes/serviceaccount.key', '/root/cdk/serviceaccount.key') rename_file_idempotent('/srv/kubernetes/basic_auth.csv', '/root/cdk/basic_auth.csv') rename_file_idempotent('/srv/kubernetes/known_tokens.csv', '/root/cdk/known_tokens.csv') # cleanup old files files = [ "/lib/systemd/system/kube-apiserver.service", "/lib/systemd/system/kube-controller-manager.service", "/lib/systemd/system/kube-scheduler.service", "/etc/default/kube-defaults", "/etc/default/kube-apiserver.defaults", "/etc/default/kube-controller-manager.defaults", "/etc/default/kube-scheduler.defaults", "/srv/kubernetes", "/home/ubuntu/kubectl", "/usr/local/bin/kubectl", "/usr/local/bin/kube-apiserver", "/usr/local/bin/kube-controller-manager", "/usr/local/bin/kube-scheduler", "/etc/kubernetes" ] for file in files: if os.path.isdir(file): hookenv.log("Removing directory: " + file) shutil.rmtree(file) elif os.path.isfile(file): hookenv.log("Removing file: " + file) os.remove(file) # clear the flag managers FlagManager('kube-apiserver').destroy_all() FlagManager('kube-controller-manager').destroy_all() FlagManager('kube-scheduler').destroy_all() def install_snaps(): channel = hookenv.config('channel') hookenv.status_set('maintenance', 'Installing kubectl snap') snap.install('kubectl', channel=channel, classic=True) hookenv.status_set('maintenance', 'Installing kube-apiserver snap') snap.install('kube-apiserver', channel=channel) hookenv.status_set('maintenance', 'Installing kube-controller-manager snap') snap.install('kube-controller-manager', channel=channel) hookenv.status_set('maintenance', 'Installing kube-scheduler snap') snap.install('kube-scheduler', channel=channel) hookenv.status_set('maintenance', 'Installing cdk-addons snap') snap.install('cdk-addons', channel=channel) set_state('kubernetes-master.snaps.installed') @when('config.changed.channel') def channel_changed(): install_snaps() @when('cni.connected') @when_not('cni.configured') def configure_cni(cni): ''' Set master configuration on the CNI relation. This lets the CNI subordinate know that we're the master so it can respond accordingly. ''' cni.set_config(is_master=True, kubeconfig_path='') @when('leadership.is_leader') @when_not('authentication.setup') def setup_leader_authentication(): '''Setup basic authentication and token access for the cluster.''' api_opts = FlagManager('kube-apiserver') controller_opts = FlagManager('kube-controller-manager') service_key = '/root/cdk/serviceaccount.key' basic_auth = '/root/cdk/basic_auth.csv' known_tokens = '/root/cdk/known_tokens.csv' api_opts.add('basic-auth-file', basic_auth) api_opts.add('token-auth-file', known_tokens) hookenv.status_set('maintenance', 'Rendering authentication templates.') keys = [service_key, basic_auth, known_tokens] # Try first to fetch data from an old leadership broadcast. if not get_keys_from_leader(keys): if not os.path.isfile(basic_auth): setup_basic_auth('admin', 'admin', 'admin') if not os.path.isfile(known_tokens): setup_tokens(None, 'admin', 'admin') setup_tokens(None, 'kubelet', 'kubelet') setup_tokens(None, 'kube_proxy', 'kube_proxy') # Generate the default service account token key os.makedirs('/root/cdk', exist_ok=True) if not os.path.isfile(service_key): cmd = ['openssl', 'genrsa', '-out', service_key, '2048'] check_call(cmd) api_opts.add('service-account-key-file', service_key) controller_opts.add('service-account-private-key-file', service_key) # read service account key for syndication leader_data = {} for f in [known_tokens, basic_auth, service_key]: with open(f, 'r') as fp: leader_data[f] = fp.read() # this is slightly opaque, but we are sending file contents under its file # path as a key. # eg: # {'/root/cdk/serviceaccount.key': 'RSA:2471731...'} charms.leadership.leader_set(leader_data) set_state('authentication.setup') @when_not('leadership.is_leader') @when_not('authentication.setup') def setup_non_leader_authentication(): api_opts = FlagManager('kube-apiserver') controller_opts = FlagManager('kube-controller-manager') service_key = '/root/cdk/serviceaccount.key' basic_auth = '/root/cdk/basic_auth.csv' known_tokens = '/root/cdk/known_tokens.csv' hookenv.status_set('maintenance', 'Rendering authentication templates.') keys = [service_key, basic_auth, known_tokens] if not get_keys_from_leader(keys): # the keys were not retrieved. Non-leaders have to retry. return api_opts.add('basic-auth-file', basic_auth) api_opts.add('token-auth-file', known_tokens) api_opts.add('service-account-key-file', service_key) controller_opts.add('service-account-private-key-file', service_key) set_state('authentication.setup') def get_keys_from_leader(keys): """ Gets the broadcasted keys from the leader and stores them in the corresponding files. Args: keys: list of keys. Keys are actually files on the FS. Returns: True if all key were fetched, False if not. """ # This races with other codepaths, and seems to require being created first # This block may be extracted later, but for now seems to work as intended os.makedirs('/root/cdk', exist_ok=True) for k in keys: # If the path does not exist, assume we need it if not os.path.exists(k): # Fetch data from leadership broadcast contents = charms.leadership.leader_get(k) # Default to logging the warning and wait for leader data to be set if contents is None: msg = "Waiting on leaders crypto keys." hookenv.status_set('waiting', msg) hookenv.log('Missing content for file {}'.format(k)) return False # Write out the file and move on to the next item with open(k, 'w+') as fp: fp.write(contents) return True @when('kubernetes-master.snaps.installed') def set_app_version(): ''' Declare the application version to juju ''' version = check_output(['kube-apiserver', '--version']) hookenv.application_version_set(version.split(b' v')[-1].rstrip()) @when('cdk-addons.configured') def idle_status(): ''' Signal at the end of the run that we are running. ''' if not all_kube_system_pods_running(): hookenv.status_set('waiting', 'Waiting for kube-system pods to start') elif hookenv.config('service-cidr') != service_cidr(): msg = 'WARN: cannot change service-cidr, still using ' + service_cidr() hookenv.status_set('active', msg) else: hookenv.status_set('active', 'Kubernetes master running.') @when('etcd.available', 'tls_client.server.certificate.saved', 'authentication.setup') @when_not('kubernetes-master.components.started') def start_master(etcd): '''Run the Kubernetes master components.''' hookenv.status_set('maintenance', 'Configuring the Kubernetes master services.') freeze_service_cidr() handle_etcd_relation(etcd) configure_master_services() hookenv.status_set('maintenance', 'Starting the Kubernetes master services.') services = ['kube-apiserver', 'kube-controller-manager', 'kube-scheduler'] for service in services: host.service_restart('snap.%s.daemon' % service) hookenv.open_port(6443) set_state('kubernetes-master.components.started') @when('etcd.available') def etcd_data_change(etcd): ''' Etcd scale events block master reconfiguration due to the kubernetes-master.components.started state. We need a way to handle these events consistenly only when the number of etcd units has actually changed ''' # key off of the connection string connection_string = etcd.get_connection_string() # If the connection string changes, remove the started state to trigger # handling of the master components if data_changed('etcd-connect', connection_string): remove_state('kubernetes-master.components.started') @when('kube-control.connected') @when('cdk-addons.configured') def send_cluster_dns_detail(kube_control): ''' Send cluster DNS info ''' # Note that the DNS server doesn't necessarily exist at this point. We know # where we're going to put it, though, so let's send the info anyway. dns_ip = get_dns_ip() kube_control.set_dns(53, hookenv.config('dns_domain'), dns_ip) @when_not('kube-control.connected') def missing_kube_control(): """Inform the operator they need to add the kube-control relation. If deploying via bundle this won't happen, but if operator is upgrading a a charm in a deployment that pre-dates the kube-control relation, it'll be missing. """ hookenv.status_set( 'blocked', 'Relate {}:kube-control kubernetes-worker:kube-control'.format( hookenv.service_name())) @when('kube-api-endpoint.available') def push_service_data(kube_api): ''' Send configuration to the load balancer, and close access to the public interface ''' kube_api.configure(port=6443) @when('certificates.available') def send_data(tls): '''Send the data that is required to create a server certificate for this server.''' # Use the public ip of this unit as the Common Name for the certificate. common_name = hookenv.unit_public_ip() # Get the SDN gateway based on the cidr address. kubernetes_service_ip = get_kubernetes_service_ip() domain = hookenv.config('dns_domain') # Create SANs that the tls layer will add to the server cert. sans = [ hookenv.unit_public_ip(), hookenv.unit_private_ip(), socket.gethostname(), kubernetes_service_ip, 'kubernetes', 'kubernetes.{0}'.format(domain), 'kubernetes.default', 'kubernetes.default.svc', 'kubernetes.default.svc.{0}'.format(domain) ] # Create a path safe name by removing path characters from the unit name. certificate_name = hookenv.local_unit().replace('/', '_') # Request a server cert with this information. tls.request_server_cert(common_name, sans, certificate_name) @when('kube-api.connected') def push_api_data(kube_api): ''' Send configuration to remote consumer.''' # Since all relations already have the private ip address, only # send the port on the relation object to all consumers. # The kubernetes api-server uses 6443 for the default secure port. kube_api.set_api_port('6443') @when('kubernetes-master.components.started') def configure_cdk_addons(): ''' Configure CDK addons ''' remove_state('cdk-addons.configured') dbEnabled = str(hookenv.config('enable-dashboard-addons')).lower() args = [ 'arch=' + arch(), 'dns-ip=' + get_dns_ip(), 'dns-domain=' + hookenv.config('dns_domain'), 'enable-dashboard=' + dbEnabled ] check_call(['snap', 'set', 'cdk-addons'] + args) if not addons_ready(): hookenv.status_set('waiting', 'Waiting to retry addon deployment') remove_state('cdk-addons.configured') return set_state('cdk-addons.configured') @retry(times=3, delay_secs=20) def addons_ready(): """ Test if the add ons got installed Returns: True is the addons got applied """ try: check_call(['cdk-addons.apply']) return True except CalledProcessError: hookenv.log("Addons are not ready yet.") return False @when('loadbalancer.available', 'certificates.ca.available', 'certificates.client.cert.available') def loadbalancer_kubeconfig(loadbalancer, ca, client): # Get the potential list of loadbalancers from the relation object. hosts = loadbalancer.get_addresses_ports() # Get the public address of loadbalancers so users can access the cluster. address = hosts[0].get('public-address') # Get the port of the loadbalancer so users can access the cluster. port = hosts[0].get('port') server = 'https://{0}:{1}'.format(address, port) build_kubeconfig(server) @when('certificates.ca.available', 'certificates.client.cert.available') @when_not('loadbalancer.available') def create_self_config(ca, client): '''Create a kubernetes configuration for the master unit.''' server = 'https://{0}:{1}'.format(hookenv.unit_get('public-address'), 6443) build_kubeconfig(server) @when('ceph-storage.available') def ceph_state_control(ceph_admin): ''' Determine if we should remove the state that controls the re-render and execution of the ceph-relation-changed event because there are changes in the relationship data, and we should re-render any configs, keys, and/or service pre-reqs ''' ceph_relation_data = { 'mon_hosts': ceph_admin.mon_hosts(), 'fsid': ceph_admin.fsid(), 'auth_supported': ceph_admin.auth(), 'hostname': socket.gethostname(), 'key': ceph_admin.key() } # Re-execute the rendering if the data has changed. if data_changed('ceph-config', ceph_relation_data): remove_state('ceph-storage.configured') @when('ceph-storage.available') @when_not('ceph-storage.configured') def ceph_storage(ceph_admin): '''Ceph on kubernetes will require a few things - namely a ceph configuration, and the ceph secret key file used for authentication. This method will install the client package, and render the requisit files in order to consume the ceph-storage relation.''' ceph_context = { 'mon_hosts': ceph_admin.mon_hosts(), 'fsid': ceph_admin.fsid(), 'auth_supported': ceph_admin.auth(), 'use_syslog': "true", 'ceph_public_network': '', 'ceph_cluster_network': '', 'loglevel': 1, 'hostname': socket.gethostname(), } # Install the ceph common utilities. apt_install(['ceph-common'], fatal=True) etc_ceph_directory = '/etc/ceph' if not os.path.isdir(etc_ceph_directory): os.makedirs(etc_ceph_directory) charm_ceph_conf = os.path.join(etc_ceph_directory, 'ceph.conf') # Render the ceph configuration from the ceph conf template render('ceph.conf', charm_ceph_conf, ceph_context) # The key can rotate independently of other ceph config, so validate it admin_key = os.path.join(etc_ceph_directory, 'ceph.client.admin.keyring') try: with open(admin_key, 'w') as key_file: key_file.write("[client.admin]\n\tkey = {}\n".format( ceph_admin.key())) except IOError as err: hookenv.log("IOError writing admin.keyring: {}".format(err)) # Enlist the ceph-admin key as a kubernetes secret if ceph_admin.key(): encoded_key = base64.b64encode(ceph_admin.key().encode('utf-8')) else: # We didn't have a key, and cannot proceed. Do not set state and # allow this method to re-execute return context = {'secret': encoded_key.decode('ascii')} render('ceph-secret.yaml', '/tmp/ceph-secret.yaml', context) try: # At first glance this is deceptive. The apply stanza will create if # it doesn't exist, otherwise it will update the entry, ensuring our # ceph-secret is always reflective of what we have in /etc/ceph # assuming we have invoked this anytime that file would change. cmd = ['kubectl', 'apply', '-f', '/tmp/ceph-secret.yaml'] check_call(cmd) os.remove('/tmp/ceph-secret.yaml') except: # the enlistment in kubernetes failed, return and prepare for re-exec return # when complete, set a state relating to configuration of the storage # backend that will allow other modules to hook into this and verify we # have performed the necessary pre-req steps to interface with a ceph # deployment. set_state('ceph-storage.configured') @when('nrpe-external-master.available') @when_not('nrpe-external-master.initial-config') def initial_nrpe_config(nagios=None): set_state('nrpe-external-master.initial-config') update_nrpe_config(nagios) @when('kubernetes-master.components.started') @when('nrpe-external-master.available') @when_any('config.changed.nagios_context', 'config.changed.nagios_servicegroups') def update_nrpe_config(unused=None): services = ( 'snap.kube-apiserver.daemon', 'snap.kube-controller-manager.daemon', 'snap.kube-scheduler.daemon' ) hostname = nrpe.get_nagios_hostname() current_unit = nrpe.get_nagios_unit_name() nrpe_setup = nrpe.NRPE(hostname=hostname) nrpe.add_init_service_checks(nrpe_setup, services, current_unit) nrpe_setup.write() @when_not('nrpe-external-master.available') @when('nrpe-external-master.initial-config') def remove_nrpe_config(nagios=None): remove_state('nrpe-external-master.initial-config') # List of systemd services for which the checks will be removed services = ( 'snap.kube-apiserver.daemon', 'snap.kube-controller-manager.daemon', 'snap.kube-scheduler.daemon' ) # The current nrpe-external-master interface doesn't handle a lot of logic, # use the charm-helpers code for now. hostname = nrpe.get_nagios_hostname() nrpe_setup = nrpe.NRPE(hostname=hostname) for service in services: nrpe_setup.remove_check(shortname=service) def is_privileged(): """Return boolean indicating whether or not to set allow-privileged=true. """ privileged = hookenv.config('allow-privileged') if privileged == 'auto': return is_state('kubernetes-master.gpu.enabled') else: return privileged == 'true' @when('config.changed.allow-privileged') @when('kubernetes-master.components.started') def on_config_allow_privileged_change(): """React to changed 'allow-privileged' config value. """ remove_state('kubernetes-master.components.started') remove_state('config.changed.allow-privileged') @when('kube-control.gpu.available') @when('kubernetes-master.components.started') @when_not('kubernetes-master.gpu.enabled') def on_gpu_available(kube_control): """The remote side (kubernetes-worker) is gpu-enabled. We need to run in privileged mode. """ config = hookenv.config() if config['allow-privileged'] == "false": hookenv.status_set( 'active', 'GPUs available. Set allow-privileged="auto" to enable.' ) return remove_state('kubernetes-master.components.started') set_state('kubernetes-master.gpu.enabled') @when('kubernetes-master.gpu.enabled') @when_not('kubernetes-master.privileged') def disable_gpu_mode(): """We were in gpu mode, but the operator has set allow-privileged="false", so we can't run in gpu mode anymore. """ remove_state('kubernetes-master.gpu.enabled') def arch(): '''Return the package architecture as a string. Raise an exception if the architecture is not supported by kubernetes.''' # Get the package architecture for this system. architecture = check_output(['dpkg', '--print-architecture']).rstrip() # Convert the binary result into a string. architecture = architecture.decode('utf-8') return architecture def build_kubeconfig(server): '''Gather the relevant data for Kubernetes configuration objects and create a config object with that information.''' # Get the options from the tls-client layer. layer_options = layer.options('tls-client') # Get all the paths to the tls information required for kubeconfig. ca = layer_options.get('ca_certificate_path') ca_exists = ca and os.path.isfile(ca) key = layer_options.get('client_key_path') key_exists = key and os.path.isfile(key) cert = layer_options.get('client_certificate_path') cert_exists = cert and os.path.isfile(cert) # Do we have everything we need? if ca_exists and key_exists and cert_exists: # Cache last server string to know if we need to regenerate the config. if not data_changed('kubeconfig.server', server): return # Create an absolute path for the kubeconfig file. kubeconfig_path = os.path.join(os.sep, 'home', 'ubuntu', 'config') # Create the kubeconfig on this system so users can access the cluster. create_kubeconfig(kubeconfig_path, server, ca, key, cert) # Make the config file readable by the ubuntu users so juju scp works. cmd = ['chown', 'ubuntu:ubuntu', kubeconfig_path] check_call(cmd) def create_kubeconfig(kubeconfig, server, ca, key, certificate, user='ubuntu', context='juju-context', cluster='juju-cluster'): '''Create a configuration for Kubernetes based on path using the supplied arguments for values of the Kubernetes server, CA, key, certificate, user context and cluster.''' # Create the config file with the address of the master server. cmd = 'kubectl config --kubeconfig={0} set-cluster {1} ' \ '--server={2} --certificate-authority={3} --embed-certs=true' check_call(split(cmd.format(kubeconfig, cluster, server, ca))) # Create the credentials using the client flags. cmd = 'kubectl config --kubeconfig={0} set-credentials {1} ' \ '--client-key={2} --client-certificate={3} --embed-certs=true' check_call(split(cmd.format(kubeconfig, user, key, certificate))) # Create a default context with the cluster. cmd = 'kubectl config --kubeconfig={0} set-context {1} ' \ '--cluster={2} --user={3}' check_call(split(cmd.format(kubeconfig, context, cluster, user))) # Make the config use this new context. cmd = 'kubectl config --kubeconfig={0} use-context {1}' check_call(split(cmd.format(kubeconfig, context))) def get_dns_ip(): '''Get an IP address for the DNS server on the provided cidr.''' # Remove the range from the cidr. ip = service_cidr().split('/')[0] # Take the last octet off the IP address and replace it with 10. return '.'.join(ip.split('.')[0:-1]) + '.10' def get_kubernetes_service_ip(): '''Get the IP address for the kubernetes service based on the cidr.''' # Remove the range from the cidr. ip = service_cidr().split('/')[0] # Remove the last octet and replace it with 1. return '.'.join(ip.split('.')[0:-1]) + '.1' def handle_etcd_relation(reldata): ''' Save the client credentials and set appropriate daemon flags when etcd declares itself as available''' connection_string = reldata.get_connection_string() # Define where the etcd tls files will be kept. etcd_dir = '/root/cdk/etcd' # Create paths to the etcd client ca, key, and cert file locations. ca = os.path.join(etcd_dir, 'client-ca.pem') key = os.path.join(etcd_dir, 'client-key.pem') cert = os.path.join(etcd_dir, 'client-cert.pem') # Save the client credentials (in relation data) to the paths provided. reldata.save_client_credentials(key, cert, ca) api_opts = FlagManager('kube-apiserver') # Never use stale data, always prefer whats coming in during context # building. if its stale, its because whats in unitdata is stale data = api_opts.data if data.get('etcd-servers-strict') or data.get('etcd-servers'): api_opts.destroy('etcd-cafile') api_opts.destroy('etcd-keyfile') api_opts.destroy('etcd-certfile') api_opts.destroy('etcd-servers', strict=True) api_opts.destroy('etcd-servers') # Set the apiserver flags in the options manager api_opts.add('etcd-cafile', ca) api_opts.add('etcd-keyfile', key) api_opts.add('etcd-certfile', cert) api_opts.add('etcd-servers', connection_string, strict=True) def configure_master_services(): ''' Add remaining flags for the master services and configure snaps to use them ''' api_opts = FlagManager('kube-apiserver') controller_opts = FlagManager('kube-controller-manager') scheduler_opts = FlagManager('kube-scheduler') scheduler_opts.add('v', '2') # Get the tls paths from the layer data. layer_options = layer.options('tls-client') ca_cert_path = layer_options.get('ca_certificate_path') client_cert_path = layer_options.get('client_certificate_path') client_key_path = layer_options.get('client_key_path') server_cert_path = layer_options.get('server_certificate_path') server_key_path = layer_options.get('server_key_path') if is_privileged(): api_opts.add('allow-privileged', 'true', strict=True) set_state('kubernetes-master.privileged') else: api_opts.add('allow-privileged', 'false', strict=True) remove_state('kubernetes-master.privileged') # Handle static options for now api_opts.add('service-cluster-ip-range', service_cidr()) api_opts.add('min-request-timeout', '300') api_opts.add('v', '4') api_opts.add('client-ca-file', ca_cert_path) api_opts.add('tls-cert-file', server_cert_path) api_opts.add('tls-private-key-file', server_key_path) api_opts.add('kubelet-certificate-authority', ca_cert_path) api_opts.add('kubelet-client-certificate', client_cert_path) api_opts.add('kubelet-client-key', client_key_path) api_opts.add('logtostderr', 'true') api_opts.add('insecure-bind-address', '127.0.0.1') api_opts.add('insecure-port', '8080') api_opts.add('storage-backend', 'etcd2') # FIXME: add etcd3 support admission_control = [ 'Initializers', 'NamespaceLifecycle', 'LimitRanger', 'ServiceAccount', 'ResourceQuota', 'DefaultTolerationSeconds' ] if get_version('kube-apiserver') < (1, 6): hookenv.log('Removing DefaultTolerationSeconds from admission-control') admission_control.remove('DefaultTolerationSeconds') api_opts.add('admission-control', ','.join(admission_control), strict=True) # Default to 3 minute resync. TODO: Make this configureable? controller_opts.add('min-resync-period', '3m') controller_opts.add('v', '2') controller_opts.add('root-ca-file', ca_cert_path) controller_opts.add('logtostderr', 'true') controller_opts.add('master', 'http://127.0.0.1:8080') scheduler_opts.add('v', '2') scheduler_opts.add('logtostderr', 'true') scheduler_opts.add('master', 'http://127.0.0.1:8080') cmd = ['snap', 'set', 'kube-apiserver'] + api_opts.to_s().split(' ') check_call(cmd) cmd = ( ['snap', 'set', 'kube-controller-manager'] + controller_opts.to_s().split(' ') ) check_call(cmd) cmd = ['snap', 'set', 'kube-scheduler'] + scheduler_opts.to_s().split(' ') check_call(cmd) def setup_basic_auth(username='admin', password='admin', user='admin'): '''Create the htacces file and the tokens.''' root_cdk = '/root/cdk' if not os.path.isdir(root_cdk): os.makedirs(root_cdk) htaccess = os.path.join(root_cdk, 'basic_auth.csv') with open(htaccess, 'w') as stream: stream.write('{0},{1},{2}'.format(username, password, user)) def setup_tokens(token, username, user): '''Create a token file for kubernetes authentication.''' root_cdk = '/root/cdk' if not os.path.isdir(root_cdk): os.makedirs(root_cdk) known_tokens = os.path.join(root_cdk, 'known_tokens.csv') if not token: alpha = string.ascii_letters + string.digits token = ''.join(random.SystemRandom().choice(alpha) for _ in range(32)) with open(known_tokens, 'a') as stream: stream.write('{0},{1},{2}\n'.format(token, username, user)) @retry(times=3, delay_secs=10) def all_kube_system_pods_running(): ''' Check pod status in the kube-system namespace. Returns True if all pods are running, False otherwise. ''' cmd = ['kubectl', 'get', 'po', '-n', 'kube-system', '-o', 'json'] try: output = check_output(cmd).decode('utf-8') except CalledProcessError: hookenv.log('failed to get kube-system pod status') return False result = json.loads(output) for pod in result['items']: status = pod['status']['phase'] if status != 'Running': return False return True def apiserverVersion(): cmd = 'kube-apiserver --version'.split() version_string = check_output(cmd).decode('utf-8') return tuple(int(q) for q in re.findall("[0-9]+", version_string)[:3])
wonderfly/kubernetes
cluster/juju/layers/kubernetes-master/reactive/kubernetes_master.py
Python
apache-2.0
32,431
[ "CDK" ]
7181a15e73d57b8ed5438e4e394aea229d5689bb0fb03103d08f5eb18164c509
from jasp import * import uuid import textwrap # http://cms.mpi.univie.ac.at/vasp/vasp/Files_used_VASP.html vaspfiles = ['INCAR', 'STOPCAR', 'stout', 'POTCAR', 'OUTCAR', 'vasprun.xml', 'KPOINTS', 'IBZKPT', 'POSCAR', 'CONTCAR', 'EXHCAR', 'CHGCAR', 'CHG', 'WAVECAR', 'TMPCAR', 'EIGENVAL', 'DOSCAR', 'PROCAR', 'OSZICAR', 'PCDAT', 'XDATCAR', 'LOCPOT', 'ELFCAR', 'PROOUT', 'ase-sort.dat', 'METADATA'] def clone(self, newdir, extra_files=None): '''copy a vasp directory to a new directory. Does not overwrite existing files. newdir is relative to the the directory the calculator was created from, not the current working directory, unless an absolute path is used. what to do about METADATA, the uuid will be wrong! ''' if extra_files is None: extra_files = [] if os.path.isabs(newdir): newdirpath = newdir else: newdirpath = os.path.join(self.cwd, newdir) import shutil if not os.path.isdir(newdirpath): os.makedirs(newdirpath) for vf in vaspfiles+extra_files: if (not os.path.exists(os.path.join(newdirpath, vf)) and os.path.exists(vf)): shutil.copy(vf, newdirpath) # if we are an neb calculation we need to copy the image # directories if hasattr(self, 'neb'): import glob for imagedir in glob.glob('0[0-9]'): dst = os.path.join(newdirpath, imagedir) if not os.path.exists(dst): shutil.copytree(imagedir, dst) # update metadata. remember we are in the vaspdir d = {} d['uuid'] = str(uuid.uuid1()) d['cloned on'] = time.ctime(time.time()) os.chdir(self.cwd) from jasp import jasp with jasp(newdir) as calc: if hasattr(calc, 'metadata'): calc.metadata.update(d) calc.write_metadata() os.chdir(self.vaspdir) Vasp.clone = clone def archive(self, archive='vasp', extra_files=[], append=False): ''' Create an archive file (.tar.gz) of the vasp files in the current directory. This is a way to save intermediate results. ''' import tarfile if not archive.endswith('.tar.gz'): archive = archive + '.tar.gz' if not append and os.path.exists(archive): # we do not overwrite existing archives except to append return None elif append and os.path.exists(archive): mode = 'a:gz' else: mode = 'w:gz' f = tarfile.open(archive, mode) for vf in vaspfiles + extra_files: if os.path.exists(vf): f.add(vf) # if we are an neb calculation we need to copy the image # directories if hasattr(self, 'neb'): import glob for imagedir in glob.glob('0[0-9]'): f.add(imagedir) f.close() Vasp.archive = archive def get_pseudopotentials(self): from os.path import join, isfile, islink ''' this is almost the exact code from the original initialize function, but all it does is get the pseudpotentials paths, and the git-hash for each one ''' atoms = self.get_atoms() p = self.input_params self.all_symbols = atoms.get_chemical_symbols() self.natoms = len(atoms) # jrk 10/21/2013 I commented this line out as it was causing an # error in serialize by incorrectly resetting spinpol. I do not see # why this should be set here. It is not used in the function. # self.spinpol = atoms.get_initial_magnetic_moments().any() atomtypes = atoms.get_chemical_symbols() # Determine the number of atoms of each atomic species # sorted after atomic species special_setups = [] symbols = {} if self.input_params['setups']: for m in self.input_params['setups']: try: special_setups.append(int(m)) except: continue for m, atom in enumerate(atoms): symbol = atom.symbol if m in special_setups: pass else: if symbol not in symbols: symbols[symbol] = 1 else: symbols[symbol] += 1 # Build the sorting list self.sort = [] self.sort.extend(special_setups) for symbol in symbols: for m, atom in enumerate(atoms): if m in special_setups: pass else: if atom.symbol == symbol: self.sort.append(m) self.resort = range(len(self.sort)) for n in range(len(self.resort)): self.resort[self.sort[n]] = n self.atoms_sorted = atoms[self.sort] # Check if the necessary POTCAR files exists and # create a list of their paths. self.symbol_count = [] for m in special_setups: self.symbol_count.append([atomtypes[m], 1]) for m in symbols: self.symbol_count.append([m, symbols[m]]) sys.stdout.flush() xc = '/' if p['xc'] == 'PW91': xc = '_gga/' elif p['xc'] == 'PBE': xc = '_pbe/' if 'VASP_PP_PATH' in os.environ: pppaths = os.environ['VASP_PP_PATH'].split(':') else: pppaths = [] self.ppp_list = [] # Setting the pseudopotentials, first special setups and # then according to symbols for m in special_setups: name = 'potpaw'+xc.upper() + p['setups'][str(m)] + '/POTCAR' found = False for path in pppaths: filename = join(path, name) if isfile(filename) or islink(filename): found = True self.ppp_list.append(filename) break elif isfile(filename + '.Z') or islink(filename + '.Z'): found = True self.ppp_list.append(filename+'.Z') break if not found: log.debug('Looked for %s' % name) print 'Looked for %s' % name raise RuntimeError('No pseudopotential for %s:%s!' % (symbol, name)) for symbol in symbols: try: name = 'potpaw' + xc.upper() + symbol + p['setups'][symbol] except (TypeError, KeyError): name = 'potpaw' + xc.upper() + symbol name += '/POTCAR' found = False for path in pppaths: filename = join(path, name) if isfile(filename) or islink(filename): found = True self.ppp_list.append(filename) break elif isfile(filename + '.Z') or islink(filename + '.Z'): found = True self.ppp_list.append(filename+'.Z') break if not found: print '''Looking for %s The pseudopotentials are expected to be in: LDA: $VASP_PP_PATH/potpaw/ PBE: $VASP_PP_PATH/potpaw_PBE/ PW91: $VASP_PP_PATH/potpaw_GGA/''' % name log.debug('Looked for %s' % name) print 'Looked for %s' % name raise RuntimeError('No pseudopotential for %s:%s!' % (symbol, name)) raise RuntimeError('No pseudopotential for %s!' % symbol) # get sha1 hashes similar to the way git does it # http://stackoverflow.com/questions/552659/assigning-git-sha1s-without-git # git hash-object foo.txt will generate a command-line hash hashes = [] for ppp in self.ppp_list: f = open(ppp, 'r') data = f.read() f.close() s = sha1() s.update("blob %u\0" % len(data)) s.update(data) hashes.append(s.hexdigest()) stripped_paths = [ppp.split(os.environ['VASP_PP_PATH'])[1] for ppp in self.ppp_list] return zip(symbols, stripped_paths, hashes) Vasp.get_pseudopotentials = get_pseudopotentials '''pre_run and post_run hooks the idea here is that you can register some functions that will run before and after running a Vasp calculation. These functions will have the following signature: function(self). you might use them like this def set_nbands(self): do something if nbands is not set calc.register_pre_run_hook(set_nbands) def enter_calc_in_database(self): do something calc.register_post_run_hook(enter_calc_in_database) maybe plugins (http://www.luckydonkey.com/2008/01/02/python-style-plugins-made-easy/) are a better way? The calculator will store a list of hooks. ''' def register_pre_run_hook(function): if not hasattr(Vasp, 'pre_run_hooks'): Vasp.pre_run_hooks = [] Vasp.pre_run_hooks.append(function) def register_post_run_hook(function): if not hasattr(Vasp, 'post_run_hooks'): Vasp.post_run_hooks = [] Vasp.post_run_hooks.append(function) Vasp.register_pre_run_hook = staticmethod(register_pre_run_hook) Vasp.register_post_run_hook = staticmethod(register_post_run_hook) def job_in_queue(self): ''' return True or False if the directory has a job in the queue''' if not os.path.exists('jobid'): return False else: # get the jobid jobid = open('jobid').readline().strip() if JASPRC['scheduler']=='PBS': # see if jobid is in queue jobids_in_queue = commands.getoutput('qselect').split('\n') if jobid in jobids_in_queue: # get details on specific jobid status, output = commands.getstatusoutput('qstat %s' % jobid) if status == 0: lines = output.split('\n') fields = lines[2].split() job_status = fields[4] if job_status == 'C': return False else: return True else: return False if JASPRC['scheduler']=='SGE': # SGE qselect does not print a list of jobids, so we have to improvise jobids_in_queue = commands.getoutput("qstat | awk '{ print $1; }'").split('\n')[2:] if jobid in jobids_in_queue: # SGE apparently does not have jobstate == 'C', lets still get status and output for now status, output = commands.getstatusoutput('qstat | grep {0}'.format(jobid)) if status == 0: fields = output.split() job_status = fields[4] return True else: return False Vasp.job_in_queue = job_in_queue def calculation_required(self, atoms, quantities): '''Monkey-patch original function because (4,4,4) != [4,4,4] which makes the test on input_params fail''' if self.positions is None: log.debug('self.positions is None') return True elif self.atoms != atoms: log.debug('atoms have changed') log.debug('self.atoms = ', self.atoms) log.debug('atoms = ', self.atoms) return True elif self.float_params != self.old_float_params: log.debug('float_params have changed') return True elif self.exp_params != self.old_exp_params: log.debug('exp_params have changed') return True elif self.string_params != self.old_string_params: log.debug('string_params have changed.') log.debug('current: {0}'.format(self.string_params)) log.debug('old : {0}'.format(self.old_string_params)) return True elif self.int_params != self.old_int_params: log.debug('int_params have changed') log.debug('current: {0}'.format(self.int_params)) log.debug('old : {0}'.format(self.old_int_params)) return True elif self.bool_params != self.old_bool_params: log.debug('bool_params have changed') return True elif self.dict_params != self.old_dict_params: log.debug('current: {0}'.format(str(self.dict_params))) log.debug('old: {0}'.format(str(self.old_dict_params))) log.debug('dict_params have changed') return True for key in self.list_params: if (self.list_params[key] is None and self.old_list_params[key] is None): # no check required continue elif (self.list_params[key] is None or self.old_list_params[key] is None): # handle this because one may be a list and the other is # not, either way they are not the same. We cannot just # cast each element as a list, like we do in the next case # because list(None) raises an exception. log.debug('odd list_param case:') log.debug('current: {0} \n'.format(self.list_params[key])) log.debug('old: {0} \n'.format(self.old_list_params[key])) return True # here we explicitly make both lists so we can compare them if list(self.list_params[key]) != list(self.old_list_params[key]): log.debug('list_params have changed') log.debug('current: {0}'.format(self.list_params[key])) log.debug('old: {0}'.format(self.old_list_params[key])) return True for key in self.input_params: if key == 'kpts': if (list(self.input_params[key]) != list(self.old_input_params[key])): log.debug('1. {}'.format(list(self.input_params[key]))) log.debug('2. {}'.format(list(self.old_input_params[key]))) log.debug('KPTS have changed.') return True else: continue elif key == 'setups': log.warn('We do not know how to compare setups yet! ' 'silently continuing.') continue elif key == 'txt': log.warn('We do not know how to compare txt yet!' 'silently continuing.') continue else: if self.input_params[key] != self.old_input_params[key]: print '{0} FAILED'.format(key) print self.input_params[key] print self.old_input_params[key] return True if 'magmom' in quantities: return not hasattr(self, 'magnetic_moment') if self.converged is None: self.converged = self.read_convergence() if not self.converged: if not JASPRC['restart_unconverged']: raise VaspNotConverged("This calculation did not converge." " Set JASPRC['restart_unconverged'] =" " True to restart") return True return False Vasp.calculation_required = calculation_required original_calculate = Vasp.calculate def calculate(self, atoms=None): ''' monkeypatched function to avoid calling calculate unless we really want to run a job. If a job is queued or running, we should exit here to avoid reinitializing the input files. I also made it possible to not give an atoms here, since there should be one on the calculator. ''' if hasattr(self, 'vasp_queued'): raise VaspQueued('Queued', os.getcwd()) if hasattr(self, 'vasp_running'): raise VaspRunning('Running', os.getcwd()) if atoms is None: atoms = self.get_atoms() # this may not catch magmoms if not self.calculation_required(atoms, []): return if 'mode' in JASPRC: if JASPRC['mode'] is None: log.debug(self) log.debug('self.converged" %s', self.converged) raise Exception('''JASPRC['mode'] is None. ''' '''we should not be running!''') # finally run the original function original_calculate(self, atoms) Vasp.calculate = calculate def run(self): '''monkey patch to submit job through the queue. If this is called, then the calculator thinks a job should be run. If we are in the queue, we should run it, otherwise, a job should be submitted. ''' if hasattr(self, 'pre_run_hooks'): for hook in self.pre_run_hooks: hook(self) # if we are in the queue and jasp is called or if we want to use # mode='run' , we should just run the job. First, we consider how. if 'PBS_O_WORKDIR' in os.environ or JASPRC['mode'] == 'run': log.info('In the queue. determining how to run') if 'PBS_NODEFILE' in os.environ: # we are in the queue. determine if we should run serial # or parallel NPROCS = len(open(os.environ['PBS_NODEFILE']).readlines()) log.debug('Found {0} PROCS'.format(NPROCS)) if NPROCS == 1: # no question. running in serial. vaspcmd = JASPRC['vasp.executable.serial'] log.debug('NPROCS = 1. running in serial') exitcode = os.system(vaspcmd) return exitcode else: # vanilla MPI run. multiprocessing does not work on more # than one node, and you must specify in JASPRC to use it if (JASPRC['queue.nodes'] > 1 or (JASPRC['queue.nodes'] == 1 and JASPRC['queue.ppn'] > 1 and (JASPRC['multiprocessing.cores_per_process'] == 'None'))): log.debug('queue.nodes = {0}'.format(JASPRC['queue.nodes'])) log.debug('queue.ppn = {0}'.format(JASPRC['queue.ppn'])) log.debug('multiprocessing.cores_per_process' '= {0}'.format(JASPRC['multiprocessing.cores_per_process'])) log.debug('running vanilla MPI job') print 'MPI NPROCS = ', NPROCS vaspcmd = JASPRC['vasp.executable.parallel'] parcmd = 'mpirun -np %i %s' % (NPROCS, vaspcmd) exitcode = os.system(parcmd) return exitcode else: # we need to run an MPI job on cores_per_process if JASPRC['multiprocessing.cores_per_process'] == 1: log.debug('running single core multiprocessing job') vaspcmd = JASPRC['vasp.executable.serial'] exitcode = os.system(vaspcmd) elif JASPRC['multiprocessing.cores_per_process'] > 1: log.debug('running mpi multiprocessing job') NPROCS = JASPRC['multiprocessing.cores_per_process'] vaspcmd = JASPRC['vasp.executable.parallel'] parcmd = 'mpirun -np %i %s' % (NPROCS, vaspcmd) exitcode = os.system(parcmd) return exitcode else: # probably running at cmd line, in serial. vaspcmd = JASPRC['vasp.executable.serial'] exitcode = os.system(vaspcmd) return exitcode # end # if you get here, a job is getting submitted script = '#!/bin/{0}\n'.format(JASPRC['queue.shell']) script += 'module load {0}\n'.format(JASPRC['module']) script +='''cd {self.cwd} # this is the current working directory cd {self.vaspdir} # this is the vasp directory runjasp.py # this is the vasp command #end'''.format(**locals()) if JASPRC['scheduler'] == 'PBS': jobname = self.vaspdir log.debug('{0} will be the jobname.'.format(jobname)) log.debug('-l nodes={0}:ppn={1}'.format(JASPRC['queue.nodes'], JASPRC['queue.ppn'])) cmdlist = ['{0}'.format(JASPRC['queue.command'])] cmdlist += [option for option in JASPRC['queue.options'].split()] cmdlist += ['-N', '{0}'.format(jobname), '-l walltime={0}'.format(JASPRC['queue.walltime']), '-l nodes={0}:ppn={1}'.format(JASPRC['queue.nodes'], JASPRC['queue.ppn']), '-l mem={0}'.format(JASPRC['queue.mem'])] elif JASPRC['scheduler'] == 'SGE': jobname = (self.vaspdir).replace('/','|') # SGE does not allow '/' in job names log.debug('{0} will be the jobname.'.format(jobname)) f = open('qscript','w') f.write(script) f.close() log.debug('-pe {0} {1}'.format(JASPRC['queue.pe'], JASPRC['queue.nprocs'])) log.debug('-q {0}'.format(JASPRC['queue.q'])) cmdlist = ['{0}'.format(JASPRC['queue.command'])] cmdlist += [option for option in JASPRC['queue.options'].split()] cmdlist += ['-N', '{0}'.format(jobname), '-q {0}'.format(JASPRC['queue.q']), '-pe {0} {1}'.format(JASPRC['queue.pe'], JASPRC['queue.nprocs']) #'-l mem_free={0}'.format(JASPRC['queue.mem']) ] cmdlist += ['qscript'] log.debug('{0}'.format(' '.join(cmdlist))) p = Popen(cmdlist, stdin=PIPE, stdout=PIPE, stderr=PIPE) log.debug(script) out, err = p.communicate(script) if out == '' or err != '': raise Exception('something went wrong in qsub:\n\n{0}'.format(err)) if JASPRC['scheduler'] == 'SGE': jobid = out.split()[2] else: jobid = out f = open('jobid', 'w') f.write(jobid) f.close() raise VaspSubmitted(out) Vasp.run = run def prepare_input_files(self): # Initialize calculations atoms = self.get_atoms() self.initialize(atoms) # Write input from ase.io.vasp import write_vasp write_vasp('POSCAR', self.atoms_sorted, symbol_count=self.symbol_count) self.write_incar(atoms) self.write_potcar() self.write_kpoints() self.write_sort_file() self.create_metadata() Vasp.prepare_input_files = prepare_input_files def pretty_print(self): ''' __str__ function to print the calculator with a nice summary, e.g. jaspsum ''' # special case for neb calculations if self.int_params['images'] is not None: # we have an neb. s = [] s.append(': -----------------------------') s.append(' VASP NEB calculation from %s' % os.getcwd()) try: images, energies = self.get_neb() for i, e in enumerate(energies): s += ['image {0}: {1: 1.3f}'.format(i, e)] except (VaspQueued): s += ['Job is in queue'] return '\n'.join(s) s = [] s.append(': -----------------------------') s.append(' VASP calculation from %s' % os.getcwd()) if hasattr(self, 'converged'): s.append(' converged: %s' % self.converged) try: atoms = self.get_atoms() uc = atoms.get_cell() try: self.converged = self.read_convergence() except IOError: # eg no outcar self.converged = False if not self.converged: try: print self.read_relaxed() except IOError: print False if self.converged: energy = atoms.get_potential_energy() forces = atoms.get_forces() else: energy = np.nan forces = [np.array([np.nan, np.nan, np.nan]) for atom in atoms] if self.converged: if hasattr(self, 'stress'): stress = self.stress else: stress = None else: stress = None # get a,b,c,alpha,beta, gamma A = uc[0, :] B = uc[1, :] C = uc[2, :] a = np.linalg.norm(A) b = np.linalg.norm(B) c = np.linalg.norm(C) alpha = np.arccos(np.dot(B/np.linalg.norm(B), C/np.linalg.norm(C))) * 180/np.pi beta = np.arccos(np.dot(A/np.linalg.norm(A), C/np.linalg.norm(C))) * 180/np.pi gamma = np.arccos(np.dot(B/np.linalg.norm(B), C/np.linalg.norm(C))) * 180/np.pi volume = np.abs(np.linalg.det(uc)) s.append(' Energy = %f eV' % energy) s.append('\n Unit cell vectors (angstroms)') s.append(' x y z length') s.append(' a0 [% 3.3f % 3.3f % 3.3f] %3.3f' % (uc[0][0], uc[0][1], uc[0][2], a)) s.append(' a1 [% 3.3f % 3.3f % 3.3f] %3.3f' % (uc[1][0], uc[1][1], uc[1][2], b)) s.append(' a2 [% 3.3f % 3.3f % 3.3f] %3.3f' % (uc[2][0], uc[2][1], uc[2][2], c)) s.append(' a,b,c,alpha,beta,gamma (deg):' '%1.3f %1.3f %1.3f %1.1f %1.1f %1.1f' % (a, b, c, alpha, beta, gamma)) s.append(' Unit cell volume = {0:1.3f} Ang^3'.format(volume)) if stress is not None: s.append(' Stress (GPa):xx, yy, zz, yz, xz, xy') s.append(' % 1.3f % 1.3f % 1.3f' '% 1.3f % 1.3f % 1.3f' % tuple(stress)) else: s += [' Stress was not computed'] constraints = None if hasattr(atoms, 'constraints'): from ase.constraints import FixAtoms, FixScaled constraints = [[None, None, None] for atom in atoms] for constraint in atoms.constraints: if isinstance(constraint, FixAtoms): for i, constrained in enumerate(constraint.index): if constrained: constraints[i] = [True, True, True] if isinstance(constraint, FixScaled): constraints[constraint.a] = constraint.mask.tolist() if constraints is None: s.append(' Atom# sym position [x,y,z]' 'tag rmsForce') else: s.append(' Atom# sym position [x,y,z]' 'tag rmsForce constraints') for i, atom in enumerate(atoms): rms_f = np.sum(forces[i]**2)**0.5 ts = (' {0:^4d} {1:^4s} [{2:<9.3f}' '{3:^9.3f}{4:9.3f}]' '{5:^6d}{6:1.2f}'.format(i, atom.symbol, atom.x, atom.y, atom.z, atom.tag, rms_f)) # VASP has the opposite convention of constrained # Think: F = frozen if constraints is not None: ts += ' {0} {1} {2}'.format('F' if constraints[i][0] is True else 'T', 'F' if constraints[i][1] is True else 'T', 'F' if constraints[i][2] is True else 'T') s.append(ts) s.append('--------------------------------------------------') if self.get_spin_polarized() and self.converged: s.append('Spin polarized: ' 'Magnetic moment = %1.2f' % self.get_magnetic_moment(atoms)) except AttributeError: # no atoms pass if os.path.exists('INCAR'): # print all parameters that are set self.read_incar() ppp_list = self.get_pseudopotentials() else: ppp_list = [(None, None, None)] s += ['\nINCAR Parameters:'] s += ['-----------------'] for d in [self.int_params, self.float_params, self.exp_params, self.bool_params, self.list_params, self.dict_params, self.string_params, self.special_params, self.input_params]: for key in d: if key is 'magmom': np.set_printoptions(precision=3) value = textwrap.fill(str(d[key]), width=56, subsequent_indent=' '*17) s.append(' %12s: %s' % (key, value)) elif d[key] is not None: value = textwrap.fill(str(d[key]), width=56, subsequent_indent=' '*17) s.append(' %12s: %s' % (key, value)) s += ['\nPseudopotentials used:'] s += ['----------------------'] for sym, ppp, hash in ppp_list: s += ['{0}: {1} (git-hash: {2})'.format(sym, ppp, hash)] # if ibrion in [5,6,7,8] print frequencies if self.int_params['ibrion'] in [5, 6, 7, 8]: freq, modes = self.get_vibrational_modes() s += ['\nVibrational frequencies'] s += ['mode frequency'] s += ['------------------'] for i, f in enumerate(freq): if isinstance(f, float): s += ['{0:4d}{1: 10.3f} eV'.format(i, f)] elif isinstance(f, complex): s += ['{0:4d}{1: 10.3f} eV'.format(i, -f.real)] return '\n'.join(s) Vasp.__str__ = pretty_print ######################################################################### def vasp_changed_bands(calc): '''Check here if VASP changed nbands.''' log.debug('Checking if vasp changed nbands') if not os.path.exists('OUTCAR'): return with open('OUTCAR') as f: lines = f.readlines() for i, line in enumerate(lines): if 'The number of bands has been changed from the values supplied' in line: s = lines[i + 5] # this is where the new bands are found nbands_cur = calc.nbands nbands_ori, nbands_new = [int(x) for x in re.search(r"I found NBANDS\s+ =\s+([0-9]*).*=\s+([0-9]*)", s).groups()] log.debug('Calculator nbands = {0}.\n' 'VASP found {1} nbands.\n' 'Changed to {2} nbands.'.format(nbands_cur, nbands_ori, nbands_new)) calc.set(nbands=nbands_new) calc.write_incar(calc.get_atoms()) log.debug('calc.kwargs: {0}'.format(calc.kwargs)) if calc.kwargs.get('nbands', None) != nbands_new: raise VaspWarning('The number of bands was changed by VASP. ' 'This happens sometimes when you run in ' 'parallel. It causes problems with jasp. ' 'I have already updated your INCAR. ' 'You need to change the number of bands ' 'in your script to match what VASP used ' 'to proceed.\n\n ' + '\n'.join(lines[i - 9: i + 8])) def checkerr_vasp(self): ''' Checks vasp output in OUTCAR for errors. adapted from atat code''' error_strings = ['forrtl: severe', # seg-fault 'highest band is occupied at some k-points!', 'rrrr', # I think this is from Warning spelled # out in ascii art 'cnorm', 'failed', 'non-integer'] # Check if VASP changed the bands vasp_changed_bands(self) errors = [] if os.path.exists('OUTCAR'): f = open('OUTCAR') for i, line in enumerate(f): i += 1 for es in error_strings: if es in line: errors.append((i, line)) f.close() converged = self.read_convergence() if not converged: errors.append(('Converged', converged)) # Then if ibrion > 0, check whether ionic relaxation condition been # fulfilled, but we do not check ibrion >3 because those are vibrational # type calculations. if self.int_params['ibrion'] in [1, 2, 3]: if not self.read_relaxed(): errors.append(('Ions/cell Converged', converged)) if len(errors) != 0: f = open('error', 'w') for i, line in errors: f.write('{0}: {1}\n'.format(i, line)) f.close() else: # no errors found, lets delete any error file that had existed. if os.path.exists('error'): os.unlink('error') if os.path.exists('error'): with open('error') as f: print 'Errors found:\n', f.read() else: if not hasattr(self, 'neb'): raise Exception('no OUTCAR` found') Vasp.register_post_run_hook(checkerr_vasp) def strip(self, extrafiles=()): '''removes large uncritical output files from directory''' files_to_remove = ['CHG', 'CHGCAR', 'WAVECAR'] + extrafiles for f in files_to_remove: if os.path.exists(f): os.unlink(f) Vasp.strip = strip def set_nbands(self, N=None, f=1.5): ''' convenience function to set NBANDS to N or automatically compute nbands for non-spin-polarized calculations nbands = int(nelectrons/2 + nions*f) this formula is suggested at http://cms.mpi.univie.ac.at/vasp/vasp/NBANDS_tag.html for transition metals f may be as high as 2. ''' if N is not None: self.set(nbands=int(N)) return atoms = self.get_atoms() nelectrons = self.get_valence_electrons() nbands = int(np.ceil(nelectrons/2.) + len(atoms)*f) self.set(nbands=nbands) Vasp.set_nbands = set_nbands def get_valence_electrons(self): '''Return all the valence electrons for the atoms. Calculated from the POTCAR file. ''' if not os.path.exists('POTCAR'): self.initialize(self.get_atoms()) self.write_potcar() default_electrons = self.get_default_number_of_electrons() d = {} for s, n in default_electrons: d[s] = n atoms = self.get_atoms() nelectrons = 0 for atom in atoms: nelectrons += d[atom.symbol] return nelectrons Vasp.get_valence_electrons = get_valence_electrons def get_elapsed_time(self): '''Return elapsed calculation time in seconds from the OUTCAR file.''' import re regexp = re.compile('Elapsed time \(sec\):\s*(?P<time>[0-9]*\.[0-9]*)') with open('OUTCAR') as f: lines = f.readlines() m = re.search(regexp, lines[-8]) time = m.groupdict().get('time', None) if time is not None: return float(time) else: return None Vasp.get_elapsed_time = get_elapsed_time old_read_ldau = Vasp.read_ldau def read_ldau(self): '''Upon restarting the calculation, Vasp.read_incar() read list_keys ldauu, ldauj, and ldaul as list params, even though we are only allowed to define them through a dict key. If the calculation is complete, this is never a problem because we initially call read_incar(), and, seeing the ldauu, ldauj, and ldaul keys in the INCAR, VASP believes we initially defined them as lists. However, when we call restart a calculation and call read_ldau, this reads the ldauu, ldaul, and ldauj keys from the OUTCAR and sets the dictionary. We now have two instances where the ldauu, ldauj, and ldaul tags are stored (in the dict and list params)! This is particularly troublesome for continuation calculations. What happens is that Vasp writes the ldauu, ldaul, and ldauj tags twice, because it is stored in both the list_params and dict_params. The easiest way to get rid of this is when we read the ldauu, ldauj, and ldaul tags from the OUTCAR upon restart, we should erase the list params. This is what this function does. 'Note: the problem persists with continuation calculations with nbands and magmoms. ''' ldau, ldauprint, ldautype, ldau_luj = old_read_ldau(self) self.set(ldauu=None) self.set(ldaul=None) self.set(ldauj=None) return ldau, ldauprint, ldautype, ldau_luj Vasp.read_ldau = read_ldau def get_nearest_neighbor_table(self): """read the nearest neighbor table from OUTCAR returns a list of atom indices and the connecting neighbors. The list is not sorted according to self.sorted or self.resorted. """ with open('OUTCAR') as f: lines = f.readlines() for i, line in enumerate(lines): if 'nearest neighbor table' in line: break # i contains index of line i += 1 # first line of the table # sometimes there is carriover to the next line. line_counter = 0 NN = [] while True: line = lines[i] if ('LATTYP' in line or line.strip() == ''): break line = lines[i].strip() if ' ' in lines[i+1]: # this was a continuation line line += lines[i+1] i += 2 else: i += 1 fields = line.split() atom_index = int(fields[0]) nearest_neigbors = fields[4:] nn_indices = [int(nearest_neigbors[x]) for x in range(0, len(nearest_neigbors), 2)] nn_distances = [float(nearest_neigbors[x]) for x in range(1, len(nearest_neigbors), 2)] NN.append((atom_index, nn_indices)) return NN Vasp.get_nearest_neighbor_table = get_nearest_neighbor_table # this fixes a bug in ase.calculators.vasp, which does not return a # copy of the forces def get_forces(self, atoms): self.update(atoms) return np.copy(self.forces) Vasp.get_forces = get_forces def get_energy_components(self, outputType=0): '''Returns all of the components of the energies. outputType = 0, returns each individual component outputType = 1, returns a major portion of the electrostatic energy and the total outputType = 2, returns a major portion of the electrostatic energy and the other components vasp forum may provide help: http://cms.mpi.univie.ac.at/vasp-forum/forum_viewtopic.php?4.273 Contributed by Jason Marshall, 2014. ''' # self.calculate() with open('OUTCAR') as f: lines = f.readlines() lineNumbers = [] for i, line in enumerate(lines): # note: this is tricky, the exact string to search for is not # the last energy line in OUTCAR, there are space differences # ... USER BEWARE: Be careful with this function ... may be # buggy depending on inputs if line.startswith(' free energy TOTEN ='): lineNumbers.append(i) lastLine = lineNumbers[-1] data = lines[lastLine - 10:lastLine] energies = [] alphaZ = float(data[0].split()[-1]) ewald = float(data[1].split()[-1]) halfHartree = float(data[2].split()[-1]) exchange = float(data[3].split()[-1]) xExchange = float(data[4].split()[-1]) PAWDoubleCounting1 = float(data[5].split()[-2]) PAWDoubleCounting2 = float(data[5].split()[-1]) entropy = float(data[6].split()[-1]) eigenvalues = float(data[7].split()[-1]) atomicEnergy = float(data[8].split()[-1]) if outputType == 1: energies = [['electro', alphaZ + ewald + halfHartree], ['else', exchange + xExchange + PAWDoubleCounting1 + PAWDoubleCounting2 + entropy + eigenvalues + atomicEnergy], ['total', alphaZ + ewald + halfHartree + exchange + xExchange + PAWDoubleCounting1 + PAWDoubleCounting2 + entropy + eigenvalues + atomicEnergy]] elif outputType == 2: energies = [['electro', alphaZ + ewald + halfHartree], ['exchange', exchange], ['xExchange', xExchange], ['PAW', PAWDoubleCounting1 + PAWDoubleCounting2], ['entropy', entropy], ['eigenvalues', eigenvalues], ['atomicEnergy', atomicEnergy], ['total', alphaZ + ewald + halfHartree + exchange + xExchange + PAWDoubleCounting1 + PAWDoubleCounting2 + entropy + eigenvalues + atomicEnergy]] else: energies = [['alphaZ', alphaZ], ['ewald', ewald], ['halfHartree', halfHartree], ['exchange', exchange], ['xExchange', xExchange], ['PAW', PAWDoubleCounting1 + PAWDoubleCounting2], ['entropy', entropy], ['eigenvalues', eigenvalues], ['atomicEnergy', atomicEnergy]] return energies Vasp.get_energy_components = get_energy_components def get_beefens(self, n=-1): '''Get the BEEFens 2000 ensemble energies from the OUTCAR. This only works with Vasp 5.3.5 compiled with libbeef. I am pretty sure this array is the deviations from the total energy. There are usually 2000 of these, but it is not clear this will always be the case. I assume the 2000 entries are always in the same order, so you can calculate ensemble energy differences for reactions, as long as the number of samples in the ensemble is the same. There is usually more than one BEEFens section. By default we return the last one. Choose another one with the the :par: n. see http://suncat.slac.stanford.edu/facility/software/functional/ ''' beefens = [] with open('OUTCAR') as f: lines = f.readlines() for i, line in enumerate(lines): if 'BEEFens' in line: nsamples = int(re.search('(\d+)', line).groups()[0]) beefens.append([float(x) for x in lines[i + 1: i + nsamples]]) return np.array(beefens[n]) Vasp.get_beefens = get_beefens def get_orbital_occupations(self): '''Read occuations from OUTCAR. Returns a numpy array of [[s, p, d tot]] for each atom. You probably need to have used LORBIT=11 for this function to work. ''' # this finds the last entry of occupations. Sometimes, this is printed multiple times in the OUTCAR. with open('OUTCAR', 'r') as f: lines = f.readlines() start = None for i,line in enumerate(lines): if line.startswith(" total charge "): start = i if not i: raise Exception('Occupations not found') atoms = self.get_atoms() occupations = [] for j in range(len(atoms)): line = lines[start + 4 + j] fields = line.split() s, p, d, tot = [float(x) for x in fields[1:]] occupations.append(np.array((s, p, d, tot))) return np.array(occupations) Vasp.get_orbital_occupations = get_orbital_occupations def get_number_of_ionic_steps(self): "Returns number of ionic steps from the OUTCAR." nsteps = None for line in open('OUTCAR'): # find the last iteration number if line.find('- Iteration') != -1: nsteps = int(line.split('(')[0].split()[-1].strip()) return nsteps Vasp.get_number_of_ionic_steps = get_number_of_ionic_steps def get_required_memory(self): ''' Returns the recommended memory needed for a VASP calculation Code retrieves memory estimate based on the following priority: 1) METADATA 2) existing OUTCAR 3) run diagnostic calculation The final method determines the memory requirements from KPOINT calculations run locally before submission to the queue ''' import json def get_memory(): ''' Retrieves the recommended memory from the OUTCAR ''' if os.path.exists('OUTCAR'): with open('OUTCAR') as f: lines = f.readlines() else: return None for line in lines: # There can be multiple instances of this, # but they all seem to be identical if 'memory' in line: # Read the memory usage required_mem = float(line.split()[-2]) / 1e6 return required_mem # Attempt to get the recommended memory from METADATA # JASP automatically generates a METADATA file when # run, so there should be no instances where it does not exist with open('METADATA', 'r') as f: data = json.load(f) try: memory = data['recommended.memory'] except(KeyError): # Check if an OUTCAR exists from a previous run if os.path.exists('OUTCAR'): memory = get_memory() # Write the recommended memory to the METADATA file with open('METADATA', 'r+') as f: data = json.load(f) data['recommended.memory'] = memory f.seek(0) json.dump(data, f) # If no OUTCAR exists, we run a 'dummy' calculation else: original_ialgo = self.int_params.get('ialgo') self.int_params['ialgo'] = -1 # Generate the base files needed for VASP calculation atoms = self.get_atoms() self.initialize(atoms) from ase.io.vasp import write_vasp write_vasp('POSCAR', self.atoms_sorted, symbol_count=self.symbol_count) self.write_incar(atoms) self.write_potcar() self.write_kpoints() self.write_sort_file() # Need to pass a function to Timer for delayed execution def kill(): process.kill() # We only need the memory estimate, so we can greatly # accelerate the process by terminating after we have it process = Popen(JASPRC['vasp.executable.serial'], stdout=PIPE) from threading import Timer timer = Timer(20.0, kill) timer.start() while True: if timer.is_alive(): memory = get_memory() if memory: timer.cancel() process.terminate() break else: time.sleep(0.1) else: raise RuntimeError('Memory estimate timed out') # return to original settings self.int_params['ialgo'] = original_ialgo self.write_incar(atoms) # Write the recommended memory to the METADATA file with open('METADATA', 'r+') as f: data = json.load(f) data['recommended.memory'] = memory f.seek(0) json.dump(data, f) # Remove all non-initialization files files = ['CHG', 'CHGCAR', 'CONTCAR', 'DOSCAR', 'EIGENVAL', 'IBZKPT', 'OSZICAR', 'PCDAT', 'vasprun.xml', 'OUTCAR', 'WAVECAR', 'XDATCAR'] for f in files: os.unlink(f) # Each node will require the memory read from the OUTCAR nodes = JASPRC['queue.nodes'] ppn = JASPRC['queue.ppn'] # Return an integer import math total_memory = int(math.ceil(nodes * ppn * memory)) JASPRC['queue.mem'] = '{0}GB'.format(total_memory) # return the memory as read from the OUTCAR return memory Vasp.get_required_memory = get_required_memory def chgsum(self): ''' Uses the chgsum.pl utility to sum over the AECCAR0 and AECCAR2 files ''' cmdlist = ['chgsum.pl', 'AECCAR0', 'AECCAR2'] p = Popen(cmdlist, stdin=PIPE, stdout=PIPE, stderr=PIPE) out, err = p.communicate() if out == '' or err != '': raise Exception('Cannot perform chgsum:\n\n{0}'.format(err)) Vasp.chgsum = chgsum def bader(self, cmd=None, ref=False, verbose=False, overwrite=False): ''' Performs bader analysis for a calculation Follows defaults unless full shell command is specified Does not overwrite existing files if overwrite=False If ref = True, tries to reference the charge density to the sum of AECCAR0 and AECCAR2 Requires the bader.pl (and chgsum.pl) script to be in the system PATH ''' if 'ACF.dat' in os.listdir('./') and not overwrite: self._get_calculated_charges() return if cmd is None: if ref: self.chgsum() cmdlist = ['bader', 'CHGCAR', '-ref', 'CHGCAR_sum'] else: cmdlist = ['bader', 'CHGCAR'] elif type(cmd) is str: cmdlist = cmd.split() elif type(cmd) is list: cmdlist = cmd p = Popen(cmdlist, stdin=PIPE, stdout=PIPE, stderr=PIPE) out, err = p.communicate() if out == '' or err != '': raise Exception('Cannot perform Bader:\n\n{0}'.format(err)) elif verbose: print('Bader completed for {0}'.format(self.vaspdir)) # Now store calculated charges self._get_calculated_charges() Vasp.bader = bader def _get_calculated_charges(self, atoms=None, fileobj='ACF.dat', displacement=1e-4): """Calculate the charges from the fileobj. This is a modified version of the attach_charges function in ase.io.bader to work better with VASP. Does not require the atom positions to be in Bohr and references the charge to the ZVAL in the POTCAR """ if isinstance(fileobj, str): try: fileobj = open(fileobj) f_open = True except(IOError): return None if atoms is None: atoms = self.get_atoms() # Get the sorting and resorting lists sort = self.sort resort = self.resort # First get a dictionary of ZVALS from the pseudopotentials LOP = self.get_pseudopotentials() ppp = os.environ['VASP_PP_PATH'] zval = {} for sym, ppath, hash in LOP: fullpath = ppp + ppath z = get_ZVAL(fullpath) zval[sym] = z # Get sorted symbols and positions according to POSCAR and ACF.dat symbols = np.array(atoms.get_chemical_symbols())[sort] positions = atoms.get_positions()[sort] charges = [] sep = '---------------' i = 0 # Counter for the lines k = 0 # Counter of sep assume6columns = False for line in fileobj: if line[0] == '\n': # check if there is an empty line in the i -= 1 # head of ACF.dat file if i == 0: headings = line if 'BADER' in headings.split(): j = headings.split().index('BADER') elif 'CHARGE' in headings.split(): j = headings.split().index('CHARGE') else: print('Can\'t find keyword "BADER" or "CHARGE".' \ + ' Assuming the ACF.dat file has 6 columns.') j = 4 assume6columns = True if sep in line: # Stop at last seperator line if k == 1: break k += 1 if not i > 1: pass else: words = line.split() if assume6columns is True: if len(words) != 6: raise IOError('Number of columns in ACF file incorrect!\n' 'Check that Bader program version >= 0.25') sym = symbols[int(words[0]) - 1] charges.append(zval[sym] - float(words[j])) if displacement is not None: # check if the atom positions match xyz = np.array([float(w) for w in words[1:4]]) assert np.linalg.norm(positions[int(words[0]) - 1] - xyz) < displacement i += 1 if f_open: fileobj.close() # Now attach the resorted charges to the atom charges = np.array(charges)[resort] self._calculated_charges = charges Vasp._get_calculated_charges = _get_calculated_charges def get_charges(self, atoms=None): ''' Returns a list of cached charges from a previous call to bader(). Useful for storing the charges to a database outside the context manager. ''' if atoms is None: atoms = self.get_atoms() if hasattr(self, '_calculated_charges'): return self._calculated_charges else: return None Vasp.get_charges = get_charges def get_property(self, name, atoms=None, allow_calculation=True): """A function meant to mimic the get_property() function already implemented for non-VASP calculators in ASE. This function is required for proper usage of the ASE database the way it is currently written. """ if atoms is None: atoms = self.get_atoms() if name == 'energy': return atoms.get_potential_energy() elif name == 'forces': return atoms.get_forces() elif name == 'stress': return atoms.get_stress() elif name == 'dipole': return atoms.get_dipole_moment() elif name == 'magmom' and hasattr(self, 'magnetic_moment'): return atoms.get_magnetic_moment() elif name == 'magmoms': return atoms.get_magnetic_moments() elif name == 'charges': return atoms.get_charges() elif name == 'free_energy': return atoms.get_potential_energy(force_consistent=True) else: raise NotImplementedError Vasp.get_property = get_property # implemented_properties = ['energy', 'forces', 'stress', 'dipole', # 'charges', 'magmom', 'magmoms'] # Vasp.implemented_properties = implemented_properties # def get_property(self, name, atoms=None, allow_calculation=False): # if name not in self.implemented_properties: # raise NotImplementedError # if atoms is None: # atoms = self.atoms # system_changes = [] # else: # system_changes = self.check_state(atoms) # if system_changes: # # self.reset() # # Vasp does not have a reset. Silently continue here... # pass # if name not in self.results: # return None # # if not allow_calculation: # # return None # # We don't want to calculate things here... # # try: # # self.calculate(atoms, [name], system_changes) # # except Exception: # # self.reset() # # raise # if name == 'magmom' and 'magmom' not in self.results: # return 0.0 # if name == 'magmoms' and 'magmoms' not in self.results: # return np.zeros(len(atoms)) # result = self.results[name] # if isinstance(result, np.ndarray): # result = result.copy() # return result # Vasp.get_property = get_property # def attach_results(self): # ''' # Attaches values of the main properties to # self.results # ''' # atoms = self.get_atoms() # results = {} # results['energy'] = atoms.get_potential_energy() # results['forces'] = atoms.get_forces() # self.results = results # Vasp.attach_results = attach_results
prtkm/jasp
jasp/jasp_extensions.py
Python
gpl-2.0
56,254
[ "ASE", "VASP" ]
4604d3a9a61c85abbb7fc0d984bf871f317b9aad72da2f00f4826c492c90a288
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.conf import settings from django.conf.urls import include, url from django.conf.urls.static import static from django.contrib import admin from django.views.generic import TemplateView urlpatterns = [ url(r'^$', TemplateView.as_view(template_name='pages/home.html'), name="home"), url(r'^about/$', TemplateView.as_view(template_name='pages/about.html'), name="about"), # Django Admin url(r'^admin/', include(admin.site.urls)), # User management url(r'^users/', include("invoices.users.urls", namespace="users")), url(r'^accounts/', include('allauth.urls')), # Your stuff: custom urls includes go here ] + static(settings.MEDIA_URL, document_root=settings.MEDIA_ROOT) if settings.DEBUG: # This allows the error pages to be debugged during development, just visit # these url in browser to see how these error pages look like. urlpatterns += [ url(r'^400/$', 'django.views.defaults.bad_request'), url(r'^403/$', 'django.views.defaults.permission_denied'), url(r'^404/$', 'django.views.defaults.page_not_found'), url(r'^500/$', 'django.views.defaults.server_error'), ]
sztosz/invoices
config/urls.py
Python
bsd-3-clause
1,230
[ "VisIt" ]
21db073c04536ab15980e1bec9b5a6c4884f3f2e25100e21a9cac507b907fc61
from rest_framework import serializers from qmpy.analysis.vasp import Calculation class CalculationSerializer(serializers.ModelSerializer): class Meta: model = Calculation fields = ( "id", "entry", "composition", "path", "label", "band_gap", "converged", "energy_pa", ) class CalculationRawSerializer(serializers.ModelSerializer): class Meta: model = Calculation fields = ("id", "path", "label")
wolverton-research-group/qmpy
qmpy/web/serializers/calculation.py
Python
mit
544
[ "VASP" ]
8ab832468693f4516296a719f9e10fd6703ea7c64bf04179be4c92087352cef5
# -*- coding: utf-8 -*- # Authors: Alexandre Gramfort <alexandre.gramfort@inria.fr> # Mathieu Blondel <mathieu@mblondel.org> # Robert Layton <robertlayton@gmail.com> # Andreas Mueller <amueller@ais.uni-bonn.de> # Philippe Gervais <philippe.gervais@inria.fr> # Lars Buitinck <larsmans@gmail.com> # License: BSD 3 clause import numpy as np from scipy.spatial import distance from scipy.sparse import csr_matrix from scipy.sparse import issparse from ..utils import check_array from ..utils import gen_even_slices from ..utils import gen_batches from ..utils.extmath import row_norms, safe_sparse_dot from ..preprocessing import normalize from ..externals.joblib import Parallel from ..externals.joblib import delayed from ..externals.joblib.parallel import cpu_count from .pairwise_fast import _chi2_kernel_fast, _sparse_manhattan # Utility Functions def _return_float_dtype(X, Y): """ 1. If dtype of X and Y is float32, then dtype float32 is returned. 2. Else dtype float is returned. """ if not issparse(X) and not isinstance(X, np.ndarray): X = np.asarray(X) if Y is None: Y_dtype = X.dtype elif not issparse(Y) and not isinstance(Y, np.ndarray): Y = np.asarray(Y) Y_dtype = Y.dtype else: Y_dtype = Y.dtype if X.dtype == Y_dtype == np.float32: dtype = np.float32 else: dtype = np.float return X, Y, dtype def check_pairwise_arrays(X, Y): """ Set X and Y appropriately and checks inputs If Y is None, it is set as a pointer to X (i.e. not a copy). If Y is given, this does not happen. All distance metrics should use this function first to assert that the given parameters are correct and safe to use. Specifically, this function first ensures that both X and Y are arrays, then checks that they are at least two dimensional while ensuring that their elements are floats. Finally, the function checks that the size of the second dimension of the two arrays is equal. Parameters ---------- X : {array-like, sparse matrix}, shape (n_samples_a, n_features) Y : {array-like, sparse matrix}, shape (n_samples_b, n_features) Returns ------- safe_X : {array-like, sparse matrix}, shape (n_samples_a, n_features) An array equal to X, guaranteed to be a numpy array. safe_Y : {array-like, sparse matrix}, shape (n_samples_b, n_features) An array equal to Y if Y was not None, guaranteed to be a numpy array. If Y was None, safe_Y will be a pointer to X. """ X, Y, dtype = _return_float_dtype(X, Y) if Y is X or Y is None: X = Y = check_array(X, accept_sparse='csr', dtype=dtype) else: X = check_array(X, accept_sparse='csr', dtype=dtype) Y = check_array(Y, accept_sparse='csr', dtype=dtype) if X.shape[1] != Y.shape[1]: raise ValueError("Incompatible dimension for X and Y matrices: " "X.shape[1] == %d while Y.shape[1] == %d" % ( X.shape[1], Y.shape[1])) return X, Y def check_paired_arrays(X, Y): """ Set X and Y appropriately and checks inputs for paired distances All paired distance metrics should use this function first to assert that the given parameters are correct and safe to use. Specifically, this function first ensures that both X and Y are arrays, then checks that they are at least two dimensional while ensuring that their elements are floats. Finally, the function checks that the size of the dimensions of the two arrays are equal. Parameters ---------- X : {array-like, sparse matrix}, shape (n_samples_a, n_features) Y : {array-like, sparse matrix}, shape (n_samples_b, n_features) Returns ------- safe_X : {array-like, sparse matrix}, shape (n_samples_a, n_features) An array equal to X, guaranteed to be a numpy array. safe_Y : {array-like, sparse matrix}, shape (n_samples_b, n_features) An array equal to Y if Y was not None, guaranteed to be a numpy array. If Y was None, safe_Y will be a pointer to X. """ X, Y = check_pairwise_arrays(X, Y) if X.shape != Y.shape: raise ValueError("X and Y should be of same shape. They were " "respectively %r and %r long." % (X.shape, Y.shape)) return X, Y # Pairwise distances def euclidean_distances(X, Y=None, Y_norm_squared=None, squared=False): """ Considering the rows of X (and Y=X) as vectors, compute the distance matrix between each pair of vectors. For efficiency reasons, the euclidean distance between a pair of row vector x and y is computed as:: dist(x, y) = sqrt(dot(x, x) - 2 * dot(x, y) + dot(y, y)) This formulation has two advantages over other ways of computing distances. First, it is computationally efficient when dealing with sparse data. Second, if x varies but y remains unchanged, then the right-most dot product `dot(y, y)` can be pre-computed. However, this is not the most precise way of doing this computation, and the distance matrix returned by this function may not be exactly symmetric as required by, e.g., ``scipy.spatial.distance`` functions. Parameters ---------- X : {array-like, sparse matrix}, shape (n_samples_1, n_features) Y : {array-like, sparse matrix}, shape (n_samples_2, n_features) Y_norm_squared : array-like, shape (n_samples_2, ), optional Pre-computed dot-products of vectors in Y (e.g., ``(Y**2).sum(axis=1)``) squared : boolean, optional Return squared Euclidean distances. Returns ------- distances : {array, sparse matrix}, shape (n_samples_1, n_samples_2) Examples -------- >>> from sklearn.metrics.pairwise import euclidean_distances >>> X = [[0, 1], [1, 1]] >>> # distance between rows of X >>> euclidean_distances(X, X) array([[ 0., 1.], [ 1., 0.]]) >>> # get distance to origin >>> euclidean_distances(X, [[0, 0]]) array([[ 1. ], [ 1.41421356]]) See also -------- paired_distances : distances betweens pairs of elements of X and Y. """ # should not need X_norm_squared because if you could precompute that as # well as Y, then you should just pre-compute the output and not even # call this function. X, Y = check_pairwise_arrays(X, Y) if Y_norm_squared is not None: YY = check_array(Y_norm_squared) if YY.shape != (1, Y.shape[0]): raise ValueError( "Incompatible dimensions for Y and Y_norm_squared") else: YY = row_norms(Y, squared=True)[np.newaxis, :] if X is Y: # shortcut in the common case euclidean_distances(X, X) XX = YY.T else: XX = row_norms(X, squared=True)[:, np.newaxis] distances = safe_sparse_dot(X, Y.T, dense_output=True) distances *= -2 distances += XX distances += YY np.maximum(distances, 0, out=distances) if X is Y: # Ensure that distances between vectors and themselves are set to 0.0. # This may not be the case due to floating point rounding errors. distances.flat[::distances.shape[0] + 1] = 0.0 return distances if squared else np.sqrt(distances, out=distances) def pairwise_distances_argmin_min(X, Y, axis=1, metric="euclidean", batch_size=500, metric_kwargs=None): """Compute minimum distances between one point and a set of points. This function computes for each row in X, the index of the row of Y which is closest (according to the specified distance). The minimal distances are also returned. This is mostly equivalent to calling: (pairwise_distances(X, Y=Y, metric=metric).argmin(axis=axis), pairwise_distances(X, Y=Y, metric=metric).min(axis=axis)) but uses much less memory, and is faster for large arrays. Parameters ---------- X, Y : {array-like, sparse matrix} Arrays containing points. Respective shapes (n_samples1, n_features) and (n_samples2, n_features) batch_size : integer To reduce memory consumption over the naive solution, data are processed in batches, comprising batch_size rows of X and batch_size rows of Y. The default value is quite conservative, but can be changed for fine-tuning. The larger the number, the larger the memory usage. metric : string or callable metric to use for distance computation. Any metric from scikit-learn or scipy.spatial.distance can be used. If metric is a callable function, it is called on each pair of instances (rows) and the resulting value recorded. The callable should take two arrays as input and return one value indicating the distance between them. This works for Scipy's metrics, but is less efficient than passing the metric name as a string. Distance matrices are not supported. Valid values for metric are: - from scikit-learn: ['cityblock', 'cosine', 'euclidean', 'l1', 'l2', 'manhattan'] - from scipy.spatial.distance: ['braycurtis', 'canberra', 'chebyshev', 'correlation', 'dice', 'hamming', 'jaccard', 'kulsinski', 'mahalanobis', 'matching', 'minkowski', 'rogerstanimoto', 'russellrao', 'seuclidean', 'sokalmichener', 'sokalsneath', 'sqeuclidean', 'yule'] See the documentation for scipy.spatial.distance for details on these metrics. metric_kwargs : dict, optional Keyword arguments to pass to specified metric function. Returns ------- argmin : numpy.ndarray Y[argmin[i], :] is the row in Y that is closest to X[i, :]. distances : numpy.ndarray distances[i] is the distance between the i-th row in X and the argmin[i]-th row in Y. See also -------- sklearn.metrics.pairwise_distances sklearn.metrics.pairwise_distances_argmin """ dist_func = None if metric in PAIRWISE_DISTANCE_FUNCTIONS: dist_func = PAIRWISE_DISTANCE_FUNCTIONS[metric] elif not callable(metric) and not isinstance(metric, str): raise ValueError("'metric' must be a string or a callable") X, Y = check_pairwise_arrays(X, Y) if metric_kwargs is None: metric_kwargs = {} if axis == 0: X, Y = Y, X # Allocate output arrays indices = np.empty(X.shape[0], dtype=np.intp) values = np.empty(X.shape[0]) values.fill(np.infty) for chunk_x in gen_batches(X.shape[0], batch_size): X_chunk = X[chunk_x, :] for chunk_y in gen_batches(Y.shape[0], batch_size): Y_chunk = Y[chunk_y, :] if dist_func is not None: if metric == 'euclidean': # special case, for speed d_chunk = safe_sparse_dot(X_chunk, Y_chunk.T, dense_output=True) d_chunk *= -2 d_chunk += row_norms(X_chunk, squared=True)[:, np.newaxis] d_chunk += row_norms(Y_chunk, squared=True)[np.newaxis, :] np.maximum(d_chunk, 0, d_chunk) else: d_chunk = dist_func(X_chunk, Y_chunk, **metric_kwargs) else: d_chunk = pairwise_distances(X_chunk, Y_chunk, metric=metric, **metric_kwargs) # Update indices and minimum values using chunk min_indices = d_chunk.argmin(axis=1) min_values = d_chunk[np.arange(chunk_x.stop - chunk_x.start), min_indices] flags = values[chunk_x] > min_values indices[chunk_x][flags] = min_indices[flags] + chunk_y.start values[chunk_x][flags] = min_values[flags] if metric == "euclidean" and not metric_kwargs.get("squared", False): np.sqrt(values, values) return indices, values def pairwise_distances_argmin(X, Y, axis=1, metric="euclidean", batch_size=500, metric_kwargs={}): """Compute minimum distances between one point and a set of points. This function computes for each row in X, the index of the row of Y which is closest (according to the specified distance). This is mostly equivalent to calling: pairwise_distances(X, Y=Y, metric=metric).argmin(axis=axis) but uses much less memory, and is faster for large arrays. This function works with dense 2D arrays only. Parameters ========== X, Y : array-like Arrays containing points. Respective shapes (n_samples1, n_features) and (n_samples2, n_features) batch_size : integer To reduce memory consumption over the naive solution, data are processed in batches, comprising batch_size rows of X and batch_size rows of Y. The default value is quite conservative, but can be changed for fine-tuning. The larger the number, the larger the memory usage. metric : string or callable metric to use for distance computation. Any metric from scikit-learn or scipy.spatial.distance can be used. If metric is a callable function, it is called on each pair of instances (rows) and the resulting value recorded. The callable should take two arrays as input and return one value indicating the distance between them. This works for Scipy's metrics, but is less efficient than passing the metric name as a string. Distance matrices are not supported. Valid values for metric are: - from scikit-learn: ['cityblock', 'cosine', 'euclidean', 'l1', 'l2', 'manhattan'] - from scipy.spatial.distance: ['braycurtis', 'canberra', 'chebyshev', 'correlation', 'dice', 'hamming', 'jaccard', 'kulsinski', 'mahalanobis', 'matching', 'minkowski', 'rogerstanimoto', 'russellrao', 'seuclidean', 'sokalmichener', 'sokalsneath', 'sqeuclidean', 'yule'] See the documentation for scipy.spatial.distance for details on these metrics. metric_kwargs : dict keyword arguments to pass to specified metric function. Returns ======= argmin : numpy.ndarray Y[argmin[i], :] is the row in Y that is closest to X[i, :]. See also ======== sklearn.metrics.pairwise_distances sklearn.metrics.pairwise_distances_argmin_min """ return pairwise_distances_argmin_min(X, Y, axis, metric, batch_size, metric_kwargs)[0] def manhattan_distances(X, Y=None, sum_over_features=True, size_threshold=5e8): """ Compute the L1 distances between the vectors in X and Y. With sum_over_features equal to False it returns the componentwise distances. Parameters ---------- X : array_like An array with shape (n_samples_X, n_features). Y : array_like, optional An array with shape (n_samples_Y, n_features). sum_over_features : bool, default=True If True the function returns the pairwise distance matrix else it returns the componentwise L1 pairwise-distances. Not supported for sparse matrix inputs. size_threshold : int, default=5e8 Unused parameter. Returns ------- D : array If sum_over_features is False shape is (n_samples_X * n_samples_Y, n_features) and D contains the componentwise L1 pairwise-distances (ie. absolute difference), else shape is (n_samples_X, n_samples_Y) and D contains the pairwise L1 distances. Examples -------- >>> from sklearn.metrics.pairwise import manhattan_distances >>> manhattan_distances(3, 3)#doctest:+ELLIPSIS array([[ 0.]]) >>> manhattan_distances(3, 2)#doctest:+ELLIPSIS array([[ 1.]]) >>> manhattan_distances(2, 3)#doctest:+ELLIPSIS array([[ 1.]]) >>> manhattan_distances([[1, 2], [3, 4]],\ [[1, 2], [0, 3]])#doctest:+ELLIPSIS array([[ 0., 2.], [ 4., 4.]]) >>> import numpy as np >>> X = np.ones((1, 2)) >>> y = 2 * np.ones((2, 2)) >>> manhattan_distances(X, y, sum_over_features=False)#doctest:+ELLIPSIS array([[ 1., 1.], [ 1., 1.]]...) """ X, Y = check_pairwise_arrays(X, Y) if issparse(X) or issparse(Y): if not sum_over_features: raise TypeError("sum_over_features=%r not supported" " for sparse matrices" % sum_over_features) X = csr_matrix(X, copy=False) Y = csr_matrix(Y, copy=False) D = np.zeros((X.shape[0], Y.shape[0])) _sparse_manhattan(X.data, X.indices, X.indptr, Y.data, Y.indices, Y.indptr, X.shape[1], D) return D if sum_over_features: return distance.cdist(X, Y, 'cityblock') D = X[:, np.newaxis, :] - Y[np.newaxis, :, :] D = np.abs(D, D) return D.reshape((-1, X.shape[1])) def cosine_distances(X, Y=None): """ Compute cosine distance between samples in X and Y. Cosine distance is defined as 1.0 minus the cosine similarity. Parameters ---------- X : array_like, sparse matrix with shape (n_samples_X, n_features). Y : array_like, sparse matrix (optional) with shape (n_samples_Y, n_features). Returns ------- distance matrix : array An array with shape (n_samples_X, n_samples_Y). See also -------- sklearn.metrics.pairwise.cosine_similarity scipy.spatial.distance.cosine (dense matrices only) """ # 1.0 - cosine_similarity(X, Y) without copy S = cosine_similarity(X, Y) S *= -1 S += 1 return S # Paired distances def paired_euclidean_distances(X, Y): """ Computes the paired euclidean distances between X and Y Parameters ---------- X : array-like, shape (n_samples, n_features) Y : array-like, shape (n_samples, n_features) Returns ------- distances : ndarray (n_samples, ) """ X, Y = check_paired_arrays(X, Y) return np.sqrt(((X - Y) ** 2).sum(axis=-1)) def paired_manhattan_distances(X, Y): """Compute the L1 distances between the vectors in X and Y. Parameters ---------- X : array-like, shape (n_samples, n_features) Y : array-like, shape (n_samples, n_features) Returns ------- distances : ndarray (n_samples, ) """ X, Y = check_paired_arrays(X, Y) return np.abs(X - Y).sum(axis=-1) def paired_cosine_distances(X, Y): """ Computes the paired cosine distances between X and Y Parameters ---------- X : array-like, shape (n_samples, n_features) Y : array-like, shape (n_samples, n_features) Returns ------- distances : ndarray, shape (n_samples, ) Notes ------ The cosine distance is equivalent to the half the squared euclidean distance if each sample is normalized to unit norm """ X, Y = check_paired_arrays(X, Y) X_normalized = normalize(X, copy=True) X_normalized -= normalize(Y, copy=True) return .5 * (X_normalized ** 2).sum(axis=-1) PAIRED_DISTANCES = { 'cosine': paired_cosine_distances, 'euclidean': paired_euclidean_distances, 'l2': paired_euclidean_distances, 'l1': paired_manhattan_distances, 'manhattan': paired_manhattan_distances, 'cityblock': paired_manhattan_distances, } def paired_distances(X, Y, metric="euclidean", **kwds): """ Computes the paired distances between X and Y. Computes the distances between (X[0], Y[0]), (X[1], Y[1]), etc... Parameters ---------- X, Y : ndarray (n_samples, n_features) metric : string or callable The metric to use when calculating distance between instances in a feature array. If metric is a string, it must be one of the options specified in PAIRED_DISTANCES, including "euclidean", "manhattan", or "cosine". Alternatively, if metric is a callable function, it is called on each pair of instances (rows) and the resulting value recorded. The callable should take two arrays from X as input and return a value indicating the distance between them. Returns ------- distances : ndarray (n_samples, ) Examples -------- >>> from sklearn.metrics.pairwise import paired_distances >>> X = [[0, 1], [1, 1]] >>> Y = [[0, 1], [2, 1]] >>> paired_distances(X, Y) array([ 0., 1.]) See also -------- pairwise_distances : pairwise distances. """ if metric in PAIRED_DISTANCES: func = PAIRED_DISTANCES[metric] return func(X, Y) elif callable(metric): # Check the matrix first (it is usually done by the metric) X, Y = check_paired_arrays(X, Y) distances = np.zeros(len(X)) for i in range(len(X)): distances[i] = metric(X[i], Y[i]) return distances else: raise ValueError('Unknown distance %s' % metric) # Kernels def linear_kernel(X, Y=None): """ Compute the linear kernel between X and Y. Parameters ---------- X : array of shape (n_samples_1, n_features) Y : array of shape (n_samples_2, n_features) Returns ------- Gram matrix : array of shape (n_samples_1, n_samples_2) """ X, Y = check_pairwise_arrays(X, Y) return safe_sparse_dot(X, Y.T, dense_output=True) def polynomial_kernel(X, Y=None, degree=3, gamma=None, coef0=1): """ Compute the polynomial kernel between X and Y:: K(X, Y) = (gamma <X, Y> + coef0)^degree Parameters ---------- X : array of shape (n_samples_1, n_features) Y : array of shape (n_samples_2, n_features) degree : int Returns ------- Gram matrix : array of shape (n_samples_1, n_samples_2) """ X, Y = check_pairwise_arrays(X, Y) if gamma is None: gamma = 1.0 / X.shape[1] K = linear_kernel(X, Y) K *= gamma K += coef0 K **= degree return K def sigmoid_kernel(X, Y=None, gamma=None, coef0=1): """ Compute the sigmoid kernel between X and Y:: K(X, Y) = tanh(gamma <X, Y> + coef0) Parameters ---------- X : array of shape (n_samples_1, n_features) Y : array of shape (n_samples_2, n_features) degree : int Returns ------- Gram matrix: array of shape (n_samples_1, n_samples_2) """ X, Y = check_pairwise_arrays(X, Y) if gamma is None: gamma = 1.0 / X.shape[1] K = linear_kernel(X, Y) K *= gamma K += coef0 np.tanh(K, K) # compute tanh in-place return K def rbf_kernel(X, Y=None, gamma=None): """ Compute the rbf (gaussian) kernel between X and Y:: K(x, y) = exp(-gamma ||x-y||^2) for each pair of rows x in X and y in Y. Parameters ---------- X : array of shape (n_samples_X, n_features) Y : array of shape (n_samples_Y, n_features) gamma : float Returns ------- kernel_matrix : array of shape (n_samples_X, n_samples_Y) """ X, Y = check_pairwise_arrays(X, Y) if gamma is None: gamma = 1.0 / X.shape[1] K = euclidean_distances(X, Y, squared=True) K *= -gamma np.exp(K, K) # exponentiate K in-place return K def cosine_similarity(X, Y=None): """Compute cosine similarity between samples in X and Y. Cosine similarity, or the cosine kernel, computes similarity as the normalized dot product of X and Y: K(X, Y) = <X, Y> / (||X||*||Y||) On L2-normalized data, this function is equivalent to linear_kernel. Parameters ---------- X : array_like, sparse matrix with shape (n_samples_X, n_features). Y : array_like, sparse matrix (optional) with shape (n_samples_Y, n_features). Returns ------- kernel matrix : array An array with shape (n_samples_X, n_samples_Y). """ # to avoid recursive import X, Y = check_pairwise_arrays(X, Y) X_normalized = normalize(X, copy=True) if X is Y: Y_normalized = X_normalized else: Y_normalized = normalize(Y, copy=True) K = linear_kernel(X_normalized, Y_normalized) return K def additive_chi2_kernel(X, Y=None): """Computes the additive chi-squared kernel between observations in X and Y The chi-squared kernel is computed between each pair of rows in X and Y. X and Y have to be non-negative. This kernel is most commonly applied to histograms. The chi-squared kernel is given by:: k(x, y) = -Sum [(x - y)^2 / (x + y)] It can be interpreted as a weighted difference per entry. Notes ----- As the negative of a distance, this kernel is only conditionally positive definite. Parameters ---------- X : array-like of shape (n_samples_X, n_features) Y : array of shape (n_samples_Y, n_features) Returns ------- kernel_matrix : array of shape (n_samples_X, n_samples_Y) References ---------- * Zhang, J. and Marszalek, M. and Lazebnik, S. and Schmid, C. Local features and kernels for classification of texture and object categories: A comprehensive study International Journal of Computer Vision 2007 http://eprints.pascal-network.org/archive/00002309/01/Zhang06-IJCV.pdf See also -------- chi2_kernel : The exponentiated version of the kernel, which is usually preferable. sklearn.kernel_approximation.AdditiveChi2Sampler : A Fourier approximation to this kernel. """ if issparse(X) or issparse(Y): raise ValueError("additive_chi2 does not support sparse matrices.") X, Y = check_pairwise_arrays(X, Y) if (X < 0).any(): raise ValueError("X contains negative values.") if Y is not X and (Y < 0).any(): raise ValueError("Y contains negative values.") result = np.zeros((X.shape[0], Y.shape[0]), dtype=X.dtype) _chi2_kernel_fast(X, Y, result) return result def chi2_kernel(X, Y=None, gamma=1.): """Computes the exponential chi-squared kernel X and Y. The chi-squared kernel is computed between each pair of rows in X and Y. X and Y have to be non-negative. This kernel is most commonly applied to histograms. The chi-squared kernel is given by:: k(x, y) = exp(-gamma Sum [(x - y)^2 / (x + y)]) It can be interpreted as a weighted difference per entry. Parameters ---------- X : array-like of shape (n_samples_X, n_features) Y : array of shape (n_samples_Y, n_features) gamma : float, default=1. Scaling parameter of the chi2 kernel. Returns ------- kernel_matrix : array of shape (n_samples_X, n_samples_Y) References ---------- * Zhang, J. and Marszalek, M. and Lazebnik, S. and Schmid, C. Local features and kernels for classification of texture and object categories: A comprehensive study International Journal of Computer Vision 2007 http://eprints.pascal-network.org/archive/00002309/01/Zhang06-IJCV.pdf See also -------- additive_chi2_kernel : The additive version of this kernel sklearn.kernel_approximation.AdditiveChi2Sampler : A Fourier approximation to the additive version of this kernel. """ K = additive_chi2_kernel(X, Y) K *= gamma return np.exp(K, K) # Helper functions - distance PAIRWISE_DISTANCE_FUNCTIONS = { # If updating this dictionary, update the doc in both distance_metrics() # and also in pairwise_distances()! 'cityblock': manhattan_distances, 'cosine': cosine_distances, 'euclidean': euclidean_distances, 'l2': euclidean_distances, 'l1': manhattan_distances, 'manhattan': manhattan_distances, } def distance_metrics(): """Valid metrics for pairwise_distances. This function simply returns the valid pairwise distance metrics. It exists to allow for a description of the mapping for each of the valid strings. The valid distance metrics, and the function they map to, are: ============ ==================================== metric Function ============ ==================================== 'cityblock' metrics.pairwise.manhattan_distances 'cosine' metrics.pairwise.cosine_distances 'euclidean' metrics.pairwise.euclidean_distances 'l1' metrics.pairwise.manhattan_distances 'l2' metrics.pairwise.euclidean_distances 'manhattan' metrics.pairwise.manhattan_distances ============ ==================================== """ return PAIRWISE_DISTANCE_FUNCTIONS def _parallel_pairwise(X, Y, func, n_jobs, **kwds): """Break the pairwise matrix in n_jobs even slices and compute them in parallel""" if n_jobs < 0: n_jobs = max(cpu_count() + 1 + n_jobs, 1) if Y is None: Y = X ret = Parallel(n_jobs=n_jobs, verbose=0)( delayed(func)(X, Y[s], **kwds) for s in gen_even_slices(Y.shape[0], n_jobs)) return np.hstack(ret) _VALID_METRICS = ['euclidean', 'l2', 'l1', 'manhattan', 'cityblock', 'braycurtis', 'canberra', 'chebyshev', 'correlation', 'cosine', 'dice', 'hamming', 'jaccard', 'kulsinski', 'mahalanobis', 'matching', 'minkowski', 'rogerstanimoto', 'russellrao', 'seuclidean', 'sokalmichener', 'sokalsneath', 'sqeuclidean', 'yule', "wminkowski"] def pairwise_distances(X, Y=None, metric="euclidean", n_jobs=1, **kwds): """ Compute the distance matrix from a vector array X and optional Y. This method takes either a vector array or a distance matrix, and returns a distance matrix. If the input is a vector array, the distances are computed. If the input is a distances matrix, it is returned instead. This method provides a safe way to take a distance matrix as input, while preserving compatibility with many other algorithms that take a vector array. If Y is given (default is None), then the returned matrix is the pairwise distance between the arrays from both X and Y. Valid values for metric are: - From scikit-learn: ['cityblock', 'cosine', 'euclidean', 'l1', 'l2', 'manhattan']. These metrics support sparse matrix inputs. - From scipy.spatial.distance: ['braycurtis', 'canberra', 'chebyshev', 'correlation', 'dice', 'hamming', 'jaccard', 'kulsinski', 'mahalanobis', 'matching', 'minkowski', 'rogerstanimoto', 'russellrao', 'seuclidean', 'sokalmichener', 'sokalsneath', 'sqeuclidean', 'yule'] See the documentation for scipy.spatial.distance for details on these metrics. These metrics do not support sparse matrix inputs. Note that in the case of 'cityblock', 'cosine' and 'euclidean' (which are valid scipy.spatial.distance metrics), the scikit-learn implementation will be used, which is faster and has support for sparse matrices (except for 'cityblock'). For a verbose description of the metrics from scikit-learn, see the __doc__ of the sklearn.pairwise.distance_metrics function. Parameters ---------- X : array [n_samples_a, n_samples_a] if metric == "precomputed", or, \ [n_samples_a, n_features] otherwise Array of pairwise distances between samples, or a feature array. Y : array [n_samples_b, n_features] A second feature array only if X has shape [n_samples_a, n_features]. metric : string, or callable The metric to use when calculating distance between instances in a feature array. If metric is a string, it must be one of the options allowed by scipy.spatial.distance.pdist for its metric parameter, or a metric listed in pairwise.PAIRWISE_DISTANCE_FUNCTIONS. If metric is "precomputed", X is assumed to be a distance matrix. Alternatively, if metric is a callable function, it is called on each pair of instances (rows) and the resulting value recorded. The callable should take two arrays from X as input and return a value indicating the distance between them. n_jobs : int The number of jobs to use for the computation. This works by breaking down the pairwise matrix into n_jobs even slices and computing them in parallel. If -1 all CPUs are used. If 1 is given, no parallel computing code is used at all, which is useful for debugging. For n_jobs below -1, (n_cpus + 1 + n_jobs) are used. Thus for n_jobs = -2, all CPUs but one are used. `**kwds` : optional keyword parameters Any further parameters are passed directly to the distance function. If using a scipy.spatial.distance metric, the parameters are still metric dependent. See the scipy docs for usage examples. Returns ------- D : array [n_samples_a, n_samples_a] or [n_samples_a, n_samples_b] A distance matrix D such that D_{i, j} is the distance between the ith and jth vectors of the given matrix X, if Y is None. If Y is not None, then D_{i, j} is the distance between the ith array from X and the jth array from Y. """ if (metric not in _VALID_METRICS and not callable(metric) and metric != "precomputed"): raise ValueError("Unknown metric %s. " "Valid metrics are %s, or 'precomputed', or a " "callable" % (metric, _VALID_METRICS)) if metric == "precomputed": return X elif metric in PAIRWISE_DISTANCE_FUNCTIONS: func = PAIRWISE_DISTANCE_FUNCTIONS[metric] if n_jobs == 1: return func(X, Y, **kwds) else: return _parallel_pairwise(X, Y, func, n_jobs, **kwds) elif callable(metric): # Check matrices first (this is usually done by the metric). X, Y = check_pairwise_arrays(X, Y) n_x, n_y = X.shape[0], Y.shape[0] # Calculate distance for each element in X and Y. # FIXME: can use n_jobs here too # FIXME: np.zeros can be replaced by np.empty D = np.zeros((n_x, n_y), dtype='float') for i in range(n_x): start = 0 if X is Y: start = i for j in range(start, n_y): # distance assumed to be symmetric. D[i][j] = metric(X[i], Y[j], **kwds) if X is Y: D[j][i] = D[i][j] return D else: # Note: the distance module doesn't support sparse matrices! if type(X) is csr_matrix: raise TypeError("scipy distance metrics do not" " support sparse matrices.") if Y is None: return distance.squareform(distance.pdist(X, metric=metric, **kwds)) else: if type(Y) is csr_matrix: raise TypeError("scipy distance metrics do not" " support sparse matrices.") return distance.cdist(X, Y, metric=metric, **kwds) # Helper functions - distance PAIRWISE_KERNEL_FUNCTIONS = { # If updating this dictionary, update the doc in both distance_metrics() # and also in pairwise_distances()! 'additive_chi2': additive_chi2_kernel, 'chi2': chi2_kernel, 'linear': linear_kernel, 'polynomial': polynomial_kernel, 'poly': polynomial_kernel, 'rbf': rbf_kernel, 'sigmoid': sigmoid_kernel, 'cosine': cosine_similarity, } def kernel_metrics(): """ Valid metrics for pairwise_kernels This function simply returns the valid pairwise distance metrics. It exists, however, to allow for a verbose description of the mapping for each of the valid strings. The valid distance metrics, and the function they map to, are: =============== ======================================== metric Function =============== ======================================== 'additive_chi2' sklearn.pairwise.additive_chi2_kernel 'chi2' sklearn.pairwise.chi2_kernel 'linear' sklearn.pairwise.linear_kernel 'poly' sklearn.pairwise.polynomial_kernel 'polynomial' sklearn.pairwise.polynomial_kernel 'rbf' sklearn.pairwise.rbf_kernel 'sigmoid' sklearn.pairwise.sigmoid_kernel 'cosine' sklearn.pairwise.cosine_similarity =============== ======================================== """ return PAIRWISE_KERNEL_FUNCTIONS KERNEL_PARAMS = { "additive_chi2": (), "chi2": (), "cosine": (), "exp_chi2": frozenset(["gamma"]), "linear": (), "poly": frozenset(["gamma", "degree", "coef0"]), "polynomial": frozenset(["gamma", "degree", "coef0"]), "rbf": frozenset(["gamma"]), "sigmoid": frozenset(["gamma", "coef0"]), } def pairwise_kernels(X, Y=None, metric="linear", filter_params=False, n_jobs=1, **kwds): """Compute the kernel between arrays X and optional array Y. This method takes either a vector array or a kernel matrix, and returns a kernel matrix. If the input is a vector array, the kernels are computed. If the input is a kernel matrix, it is returned instead. This method provides a safe way to take a kernel matrix as input, while preserving compatibility with many other algorithms that take a vector array. If Y is given (default is None), then the returned matrix is the pairwise kernel between the arrays from both X and Y. Valid values for metric are:: ['rbf', 'sigmoid', 'polynomial', 'poly', 'linear', 'cosine'] Parameters ---------- X : array [n_samples_a, n_samples_a] if metric == "precomputed", or, \ [n_samples_a, n_features] otherwise Array of pairwise kernels between samples, or a feature array. Y : array [n_samples_b, n_features] A second feature array only if X has shape [n_samples_a, n_features]. metric : string, or callable The metric to use when calculating kernel between instances in a feature array. If metric is a string, it must be one of the metrics in pairwise.PAIRWISE_KERNEL_FUNCTIONS. If metric is "precomputed", X is assumed to be a kernel matrix. Alternatively, if metric is a callable function, it is called on each pair of instances (rows) and the resulting value recorded. The callable should take two arrays from X as input and return a value indicating the distance between them. n_jobs : int The number of jobs to use for the computation. This works by breaking down the pairwise matrix into n_jobs even slices and computing them in parallel. If -1 all CPUs are used. If 1 is given, no parallel computing code is used at all, which is useful for debugging. For n_jobs below -1, (n_cpus + 1 + n_jobs) are used. Thus for n_jobs = -2, all CPUs but one are used. filter_params: boolean Whether to filter invalid parameters or not. `**kwds` : optional keyword parameters Any further parameters are passed directly to the kernel function. Returns ------- K : array [n_samples_a, n_samples_a] or [n_samples_a, n_samples_b] A kernel matrix K such that K_{i, j} is the kernel between the ith and jth vectors of the given matrix X, if Y is None. If Y is not None, then K_{i, j} is the kernel between the ith array from X and the jth array from Y. Notes ----- If metric is 'precomputed', Y is ignored and X is returned. """ if metric == "precomputed": return X elif metric in PAIRWISE_KERNEL_FUNCTIONS: if filter_params: kwds = dict((k, kwds[k]) for k in kwds if k in KERNEL_PARAMS[metric]) func = PAIRWISE_KERNEL_FUNCTIONS[metric] if n_jobs == 1: return func(X, Y, **kwds) else: return _parallel_pairwise(X, Y, func, n_jobs, **kwds) elif callable(metric): # Check matrices first (this is usually done by the metric). X, Y = check_pairwise_arrays(X, Y) n_x, n_y = X.shape[0], Y.shape[0] # Calculate kernel for each element in X and Y. K = np.zeros((n_x, n_y), dtype='float') for i in range(n_x): start = 0 if X is Y: start = i for j in range(start, n_y): # Kernel assumed to be symmetric. K[i][j] = metric(X[i], Y[j], **kwds) if X is Y: K[j][i] = K[i][j] return K else: raise ValueError("Unknown kernel %r" % metric)
ankurankan/scikit-learn
sklearn/metrics/pairwise.py
Python
bsd-3-clause
41,106
[ "Gaussian" ]
9d12d4c3849871bc76b9ce3cf3cb306efb30340ca97c4955cab29eb3a17a1468
# coding=utf-8 # Copyright (c) 2014 Merck KGaA from __future__ import print_function import os,re,gzip,json,requests,sys, optparse,csv from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import SDWriter from rdkit.Chem import Descriptors from rdkit.ML.Descriptors import MoleculeDescriptors from scipy import interp from scipy import stats from sklearn import cross_validation from sklearn.ensemble import RandomForestClassifier from sklearn import metrics from sklearn.cross_validation import train_test_split from sklearn.metrics import roc_curve, auc from sklearn.metrics import precision_score,recall_score from sklearn import preprocessing import cPickle from pickle import Unpickler import numpy as np import math from pylab import * from sklearn.metrics import make_scorer kappa_template = '''\ %(kind)s Kappa Coefficient -------------------------------- Kappa %(kappa)6.4f ASE %(std_kappa)6.4f %(alpha_ci)s%% Lower Conf Limit %(kappa_low)6.4f %(alpha_ci)s%% Upper Conf Limit %(kappa_upp)6.4f Test of H0: %(kind)s Kappa = 0 ASE under H0 %(std_kappa0)6.4f Z %(z_value)6.4f One-sided Pr > Z %(pvalue_one_sided)6.4f Two-sided Pr > |Z| %(pvalue_two_sided)6.4f ''' ''' Weighted Kappa Coefficient -------------------------------- Weighted Kappa 0.4701 ASE 0.1457 95% Lower Conf Limit 0.1845 95% Upper Conf Limit 0.7558 Test of H0: Weighted Kappa = 0 ASE under H0 0.1426 Z 3.2971 One-sided Pr > Z 0.0005 Two-sided Pr > |Z| 0.0010 ''' def int_ifclose(x, dec=1, width=4): '''helper function for creating result string for int or float only dec=1 and width=4 is implemented Parameters ---------- x : int or float value to format dec : 1 number of decimals to print if x is not an integer width : 4 width of string Returns ------- xint : int or float x is converted to int if it is within 1e-14 of an integer x_string : str x formatted as string, either '%4d' or '%4.1f' ''' xint = int(round(x)) if np.max(np.abs(xint - x)) < 1e-14: return xint, '%4d' % xint else: return x, '%4.1f' % x class KappaResults(dict): def __init__(self, **kwds): self.update(kwds) if not 'alpha' in self: self['alpha'] = 0.025 self['alpha_ci'] = int_ifclose(100 - 0.025 * 200)[1] self['std_kappa'] = np.sqrt(self['var_kappa']) self['std_kappa0'] = np.sqrt(self['var_kappa0']) self['z_value'] = self['kappa'] / self['std_kappa0'] self['pvalue_one_sided'] = stats.norm.sf(self['z_value']) self['pvalue_two_sided'] = self['pvalue_one_sided'] * 2 delta = stats.norm.isf(self['alpha']) * self['std_kappa'] self['kappa_low'] = self['kappa'] - delta self['kappa_upp'] = self['kappa'] + delta def __str__(self): return kappa_template % self def cohens_kappa(table, weights=None, return_results=True, wt=None): '''Compute Cohen's kappa with variance and equal-zero test Parameters ---------- table : array_like, 2-Dim square array with results of two raters, one rater in rows, second rater in columns weights : array_like The interpretation of weights depends on the wt argument. If both are None, then the simple kappa is computed. see wt for the case when wt is not None If weights is two dimensional, then it is directly used as a weight matrix. For computing the variance of kappa, the maximum of the weights is assumed to be smaller or equal to one. TODO: fix conflicting definitions in the 2-Dim case for wt : None or string If wt and weights are None, then the simple kappa is computed. If wt is given, but weights is None, then the weights are set to be [0, 1, 2, ..., k]. If weights is a one-dimensional array, then it is used to construct the weight matrix given the following options. wt in ['linear', 'ca' or None] : use linear weights, Cicchetti-Allison actual weights are linear in the score "weights" difference wt in ['quadratic', 'fc'] : use linear weights, Fleiss-Cohen actual weights are squared in the score "weights" difference wt = 'toeplitz' : weight matrix is constructed as a toeplitz matrix from the one dimensional weights. return_results : bool If True (default), then an instance of KappaResults is returned. If False, then only kappa is computed and returned. Returns ------- results or kappa If return_results is True (default), then a results instance with all statistics is returned If return_results is False, then only kappa is calculated and returned. Notes ----- There are two conflicting definitions of the weight matrix, Wikipedia versus SAS manual. However, the computation are invariant to rescaling of the weights matrix, so there is no difference in the results. Weights for 'linear' and 'quadratic' are interpreted as scores for the categories, the weights in the computation are based on the pairwise difference between the scores. Weights for 'toeplitz' are a interpreted as weighted distance. The distance only depends on how many levels apart two entries in the table are but not on the levels themselves. example: weights = '0, 1, 2, 3' and wt is either linear or toeplitz means that the weighting only depends on the simple distance of levels. weights = '0, 0, 1, 1' and wt = 'linear' means that the first two levels are zero distance apart and the same for the last two levels. This is the sampe as forming two aggregated levels by merging the first two and the last two levels, respectively. weights = [0, 1, 2, 3] and wt = 'quadratic' is the same as squaring these weights and using wt = 'toeplitz'. References ---------- Wikipedia SAS Manual ''' table = np.asarray(table, float) #avoid integer division agree = np.diag(table).sum() nobs = table.sum() probs = table / nobs freqs = probs #TODO: rename to use freqs instead of probs for observed probs_diag = np.diag(probs) freq_row = table.sum(1) / nobs freq_col = table.sum(0) / nobs prob_exp = freq_col * freq_row[:, None] assert np.allclose(prob_exp.sum(), 1) #print prob_exp.sum() agree_exp = np.diag(prob_exp).sum() #need for kappa_max if weights is None and wt is None: kind = 'Simple' kappa = (agree / nobs - agree_exp) / (1 - agree_exp) if return_results: #variance term_a = probs_diag * (1 - (freq_row + freq_col) * (1 - kappa))**2 term_a = term_a.sum() term_b = probs * (freq_col[:, None] + freq_row)**2 d_idx = np.arange(table.shape[0]) term_b[d_idx, d_idx] = 0 #set diagonal to zero term_b = (1 - kappa)**2 * term_b.sum() term_c = (kappa - agree_exp * (1-kappa))**2 var_kappa = (term_a + term_b - term_c) / (1 - agree_exp)**2 / nobs #term_c = freq_col * freq_row[:, None] * (freq_col + freq_row[:,None]) term_c = freq_col * freq_row * (freq_col + freq_row) var_kappa0 = (agree_exp + agree_exp**2 - term_c.sum()) var_kappa0 /= (1 - agree_exp)**2 * nobs else: if weights is None: weights = np.arange(table.shape[0]) #weights follows the Wikipedia definition, not the SAS, which is 1 - kind = 'Weighted' weights = np.asarray(weights, float) if weights.ndim == 1: if wt in ['ca', 'linear', None]: weights = np.abs(weights[:, None] - weights) / \ (weights[-1] - weights[0]) elif wt in ['fc', 'quadratic']: weights = (weights[:, None] - weights)**2 / \ (weights[-1] - weights[0])**2 elif wt == 'toeplitz': #assume toeplitz structure from scipy.linalg import toeplitz #weights = toeplitz(np.arange(table.shape[0])) weights = toeplitz(weights) else: raise ValueError('wt option is not known') else: rows, cols = table.shape if (table.shape != weights.shape): raise ValueError('weights are not square') #this is formula from Wikipedia kappa = 1 - (weights * table).sum() / nobs / (weights * prob_exp).sum() #TODO: add var_kappa for weighted version if return_results: var_kappa = np.nan var_kappa0 = np.nan #switch to SAS manual weights, problem if user specifies weights #w is negative in some examples, #but weights is scale invariant in examples and rough check of source w = 1. - weights w_row = (freq_col * w).sum(1) w_col = (freq_row[:, None] * w).sum(0) agree_wexp = (w * freq_col * freq_row[:, None]).sum() term_a = freqs * (w - (w_col + w_row[:, None]) * (1 - kappa))**2 fac = 1. / ((1 - agree_wexp)**2 * nobs) var_kappa = term_a.sum() - (kappa - agree_wexp * (1 - kappa))**2 var_kappa *= fac freqse = freq_col * freq_row[:, None] var_kappa0 = (freqse * (w - (w_col + w_row[:, None]))**2).sum() var_kappa0 -= agree_wexp**2 var_kappa0 *= fac kappa_max = (np.minimum(freq_row, freq_col).sum() - agree_exp) / \ (1 - agree_exp) if return_results: res = KappaResults( kind=kind, kappa=kappa, kappa_max=kappa_max, weights=weights, var_kappa=var_kappa, var_kappa0=var_kappa0 ) return res else: return kappa def to_table(data, bins=None): '''convert raw data with shape (subject, rater) to (rater1, rater2) brings data into correct format for cohens_kappa Parameters ---------- data : array_like, 2-Dim data containing category assignment with subjects in rows and raters in columns. bins : None, int or tuple of array_like If None, then the data is converted to integer categories, 0,1,2,...,n_cat-1. Because of the relabeling only category levels with non-zero counts are included. If this is an integer, then the category levels in the data are already assumed to be in integers, 0,1,2,...,n_cat-1. In this case, the returned array may contain columns with zero count, if no subject has been categorized with this level. If bins are a tuple of two array_like, then the bins are directly used by ``numpy.histogramdd``. This is useful if we want to merge categories. Returns ------- arr : nd_array, (n_cat, n_cat) Contingency table that contains counts of category level with rater1 in rows and rater2 in columns. Notes ----- no NaN handling, delete rows with missing values This works also for more than two raters. In that case the dimension of the resulting contingency table is the same as the number of raters instead of 2-dimensional. ''' data = np.asarray(data) n_rows, n_cols = data.shape if bins is None: #I could add int conversion (reverse_index) to np.unique cat_uni, cat_int = np.unique(data.ravel(), return_inverse=True) n_cat = len(cat_uni) data_ = cat_int.reshape(data.shape) bins_ = np.arange(n_cat+1) - 0.5 #alternative implementation with double loop #tt = np.asarray([[(x == [i,j]).all(1).sum() for j in cat_uni] # for i in cat_uni] ) #other altervative: unique rows and bincount elif np.isscalar(bins): bins_ = np.arange(bins+1) - 0.5 data_ = data else: bins_ = bins data_ = data tt = np.histogramdd(data_, (bins_,)*n_cols) return tt[0], bins_ class p_con: """Class to create Models to classify Molecules active or inactive using threshold for value in training-data""" def __init__(self,acc_id=None,proxy={}): """Constructor to initialize Object, use proxy if neccessary""" self.request_data={"acc_id":acc_id,"proxy":proxy} self.acc_id = acc_id self.proxy = proxy self.model = [] self.verbous = False def __str__(self): """String-Representation for Object""" self.request_data["cmpd_count"] = len(self.sd_entries) retString = "" for key in self.request_data.keys(): retString += "%s: %s\n" % (key,self.request_data[key]) return retString.rstrip() def step_0_get_chembl_data(self): """Download Compound-Data for self.acc_id, these are available in self.sd_entries afterwards""" def looks_like_number(x): """Check for proper Float-Value""" try: float(x) return True except ValueError: return False if self.acc_id.find("CHEMBL") == -1: self.target_data = requests.get("https://www.ebi.ac.uk/chemblws/targets/uniprot/{}.json".format(self.acc_id),proxies=self.proxy).json() else: self.target_data = {} self.target_data['target'] = {} self.target_data['target']['chemblId'] = self.acc_id self.chembl_id = self.target_data['target']['chemblId'] self.request_data["chembl_id"] = self.target_data['target']['chemblId'] # print self.target_data self.bioactivity_data = requests.get("https://www.ebi.ac.uk/chemblws/targets/{}/bioactivities.json".format(self.target_data['target']['chemblId']),proxies=self.proxy).json() ic50_skip=0 ki_skip=0 inhb_skip=0 count=0 non_homo=0 self.dr={} i = 0 x = len(self.bioactivity_data['bioactivities'] ) for bioactivity in [record for record in self.bioactivity_data['bioactivities'] if looks_like_number(record['value']) ] : if i%100 == 0: sys.stdout.write('\r' + str(i) + '/' +str(x) + ' > <\b\b\b\b\b\b\b\b\b\b\b') elif (i%100)%10==0: sys.stdout.write('|') sys.stdout.flush() i += 1 # if i > 5000: break if bioactivity['organism'] != 'Homo sapiens': non_homo+=1 continue if re.search('IC50', bioactivity['bioactivity_type']): if bioactivity['units'] != 'nM': ic50_skip+=1 continue elif re.search('Ki', bioactivity['bioactivity_type']): ki_skip+=1 continue elif re.search('Inhibition', bioactivity['bioactivity_type']): inhb_skip+=1 else: continue self.cmpd_data = requests.get("https://www.ebi.ac.uk/chemblws/compounds/{}.json".format(bioactivity['ingredient_cmpd_chemblid']),proxies=self.proxy).json() my_smiles = self.cmpd_data['compound']['smiles'] bioactivity['Smiles']=my_smiles self.dr[count] = bioactivity count+=1 SDtags = self.dr[0].keys() cpd_counter=0 self.sd_entries = [] for x in range(len(self.dr)): entry = self.dr[x] cpd = Chem.MolFromSmiles(str(entry['Smiles'])) AllChem.Compute2DCoords(cpd) cpd.SetProp("_Name",str(cpd_counter)) cpd_counter += 1 for tag in SDtags: cpd.SetProp(str(tag),str(entry[tag])) self.sd_entries.append(cpd) return True def step_1_keeplargestfrag(self): """remove all smaller Fragments per compound, just keep the largest""" result=[] for cpd in self.sd_entries: fragments = Chem.GetMolFrags(cpd,asMols=True) list_cpds_fragsize = [] for frag in fragments: list_cpds_fragsize.append(frag.GetNumAtoms()) largest_frag_index = list_cpds_fragsize.index(max(list_cpds_fragsize)) largest_frag = fragments[largest_frag_index] result.append(largest_frag) self.sd_entries = result return True def step_2_remove_dupl(self): """remove duplicates from self.sd_entries""" result = [] all_struct_dict = {} for cpd in self.sd_entries: Chem.RemoveHs(cpd) cansmi = Chem.MolToSmiles(cpd,canonical=True) if not cansmi in all_struct_dict.keys(): all_struct_dict[cansmi] = [] all_struct_dict[cansmi].append(cpd) for entry in all_struct_dict.keys(): if len(all_struct_dict[entry])==1: all_struct_dict[entry][0].SetProp('cansmirdkit',entry) result.append(all_struct_dict[entry][0]) self.sd_entries=result return True def step_3_merge_IC50(self): """merge IC50 of duplicates into one compound using mean of all values if: min(IC50) => IC50_avg-3*IC50_stddev && max(IC50) <= IC50_avg+3*IC50_stddev && IC50_stddev <= IC50_avg""" np_old_settings = np.seterr(invalid='ignore') #dirty way to ignore warnings from np.std def get_mean_IC50(mol_list): IC50 = 0 IC50_avg = 0 for bla in mol_list: try: IC50 += float(bla.GetProp("value")) except: print("no IC50 reported",bla.GetProp("_Name")) IC50_avg = IC50 / len(mol_list) return IC50_avg def get_stddev_IC50(mol_list): IC50_list = [] for mol in mol_list: try: IC50_list.append(round(float(mol.GetProp("value")),2)) except: print("no IC50 reported",mol.GetProp("_Name")) IC50_stddev = np.std(IC50_list,ddof=1) return IC50_stddev,IC50_list result = [] IC50_dict = {} for cpd in self.sd_entries: if not "cansmirdkit" in cpd.GetPropNames(): Chem.RemoveHs(cpd) cansmi = Chem.MolToSmiles(cpd,canonical=True) cpd.SetProp('cansmirdkit',cansmi) cansmi = str(cpd.GetProp("cansmirdkit")) IC50_dict[cansmi]={} for cpd in self.sd_entries: cansmi = str(cpd.GetProp("cansmirdkit")) try: IC50_dict[cansmi].append(cpd) except: IC50_dict[cansmi] = [cpd] for entry in IC50_dict: IC50_avg = str(get_mean_IC50(IC50_dict[entry])) IC50_stddev,IC50_list = get_stddev_IC50(IC50_dict[entry]) IC50_dict[entry][0].SetProp("value_stddev",str(IC50_stddev)) IC50_dict[entry][0].SetProp("value",IC50_avg) minimumvalue = float(IC50_avg)-3*float(IC50_stddev) maximumvalue = float(IC50_avg)+3*float(IC50_stddev) if round(IC50_stddev,1) == 0.0: result.append(IC50_dict[entry][0]) elif IC50_stddev > float(IC50_avg): runawaylist = [] for e in IC50_dict[entry]: runawaylist.append(e.GetProp("_Name")) print("stddev larger than mean", runawaylist, IC50_list, IC50_avg,IC50_stddev) elif np.min(IC50_list) < minimumvalue or np.max(IC50_list) > maximumvalue: pass else: result.append(IC50_dict[entry][0]) self.sd_entries=result np.seterr(over=np_old_settings['over'],divide=np_old_settings['divide'],invalid=np_old_settings['invalid'],under=np_old_settings['under']) return True def step_4_set_TL(self,threshold,ic50_tag="value"): """set Property "TL"(TrafficLight) for each compound: if ic50_tag (default:"value") > threshold: TL = 0, else 1""" result = [] i,j = 0,0 for cpd in self.sd_entries: if float(cpd.GetProp(ic50_tag))> float(threshold): cpd.SetProp('TL','0') i += 1 else: cpd.SetProp('TL','1') j += 1 result.append(cpd) self.sd_entries = result if self.verbous: print("## act: %d, inact: %d" % (j,i)) return True def step_5_remove_descriptors(self): """remove list of Properties from each compound (hardcoded) which would corrupt process of creating Prediction-Models""" sd_tags = ['activity__comment','alogp','assay__chemblid','assay__description','assay__type','bioactivity__type','activity_comment','assay_chemblid','assay_description','assay_type','bioactivity_type','cansmirdkit','ingredient__cmpd__chemblid','ingredient_cmpd_chemblid','knownDrug','medChemFriendly','molecularFormula','name__in__reference','name_in_reference','numRo5Violations','operator','organism','parent__cmpd__chemblid','parent_cmpd_chemblid','passesRuleOfThree','preferredCompoundName','reference','rotatableBonds','smiles','Smiles','stdInChiKey','synonyms','target__chemblid','target_chemblid','target__confidence','target__name','target_confidence','target_name','units','value_avg','value_stddev'] + ['value'] result = [] for mol in self.sd_entries: properties = mol.GetPropNames() for tag in properties: if tag in sd_tags: mol.ClearProp(tag) result.append(mol) self.sd_entries = result return True def step_6_calc_descriptors(self): """calculate descriptors for each compound, according to Descriptors._descList""" nms=[x[0] for x in Descriptors._descList] calc = MoleculeDescriptors.MolecularDescriptorCalculator(nms) for i in range(len(self.sd_entries)): descrs = calc.CalcDescriptors(self.sd_entries[i]) for j in range(len(descrs)): self.sd_entries[i].SetProp(str(nms[j]),str(descrs[j])) return True def step_7_train_models(self): """train models according to trafficlight using sklearn.ensamble.RandomForestClassifier self.model contains up to 10 models afterwards, use save_model_info(type) to create csv or html containing data for each model""" title_line = ["#","accuracy","MCC","precision","recall","f1","auc","kappa","prevalence","bias","pickel-File"] self.csv_text= [title_line] TL_list = [] property_list_list = [] directory = os.getcwd().split("/")[-2:] dir_string = ';'.join(directory) for cpd in self.sd_entries: property_list = [] property_name_list = [] prop_name = cpd.GetPropNames() for property in prop_name: if property not in ['TL','value']: try: f = float(cpd.GetProp(property)) if math.isnan(f) or math.isinf(f): print("invalid: %s" % property) except ValueError: print("valerror: %s" % property) continue property_list.append(f) property_name_list.append(property) elif property == 'TL': TL_list.append(int(cpd.GetProp(property))) else: print(property) pass property_list_list.append(property_list) dataDescrs_array = np.asarray(property_list_list) dataActs_array = np.array(TL_list) for randomseedcounter in range(1,11): if self.verbous: print("################################") print("try to calculate seed %d" % randomseedcounter) X_train,X_test,y_train,y_test = cross_validation.train_test_split(dataDescrs_array,dataActs_array,test_size=.4,random_state=randomseedcounter) # try: clf_RF = RandomForestClassifier(n_estimators=100,random_state=randomseedcounter) clf_RF = clf_RF.fit(X_train,y_train) cv_counter = 5 scores = cross_validation.cross_val_score( clf_RF, X_test,y_test, cv=cv_counter,scoring='accuracy') accuracy_CV = round(scores.mean(),3) accuracy_std_CV = round(scores.std(),3) calcMCC = make_scorer(metrics.matthews_corrcoef,greater_is_better=True,needs_threshold=False) scores = cross_validation.cross_val_score( clf_RF, X_test,y_test, cv=cv_counter,scoring=calcMCC) MCC_CV = round(scores.mean(),3) MCC_std_CV = round(scores.std(),3) scores = cross_validation.cross_val_score( clf_RF, X_test,y_test, cv=cv_counter,scoring='f1') scores_rounded = [round(x,3) for x in scores] f1_CV = round(scores.mean(),3) f1_std_CV = round(scores.std(),3) scores = cross_validation.cross_val_score( clf_RF, X_test,y_test, cv=cv_counter,scoring='precision') scores_rounded = [round(x,3) for x in scores] precision_CV = round(scores.mean(),3) precision_std_CV = round(scores.std(),3) scores = cross_validation.cross_val_score( clf_RF, X_test,y_test, cv=cv_counter,scoring='recall') scores_rounded = [round(x,3) for x in scores] recall_CV = round(scores.mean(),3) recall_std_CV = round(scores.std(),3) scores = cross_validation.cross_val_score( clf_RF, X_test,y_test, cv=cv_counter,scoring='roc_auc') scores_rounded = [round(x,3) for x in scores] auc_CV = round(scores.mean(),3) auc_std_CV = round(scores.std(),3) y_predict = clf_RF.predict(X_test) conf_matrix = metrics.confusion_matrix(y_test,y_predict) # coh_kappa = cohenskappa.cohens_kappa(conf_matrix) coh_kappa = cohens_kappa(conf_matrix) kappa = round(coh_kappa['kappa'],3) kappa_stdev = round(coh_kappa['std_kappa'],3) tp = conf_matrix[0][0] tn = conf_matrix[1][1] fp = conf_matrix[1][0] fn = conf_matrix[0][1] n = tn+fp p = tp+fn kappa_prevalence = round(float(abs(tp-tn))/float(n),3) kappa_bias = round(float(abs(fp-fn))/float(n),3) if self.verbous: print("test:") print("\tpos\tneg") print("true\t%d\t%d" % (tp,tn)) print("false\t%d\t%d" % (fp,fn)) print(conf_matrix) print("\ntrain:") y_predict2 = clf_RF.predict(X_train) conf_matrix2 = metrics.confusion_matrix(y_train,y_predict2) tp2 = conf_matrix2[0][0] tn2 = conf_matrix2[1][1] fp2 = conf_matrix2[1][0] fn2 = conf_matrix2[0][1] print("\tpos\tneg") print("true\t%d\t%d" % (tp2,tn2)) print("false\t%d\t%d" % (fp2,fn2)) print(conf_matrix2) result_string_cut = [randomseedcounter, str(accuracy_CV)+"_"+str(accuracy_std_CV), str(MCC_CV)+"_"+str(MCC_std_CV), str(precision_CV)+"_"+str(precision_std_CV), str(recall_CV)+"_"+str(recall_std_CV), str(f1_CV)+"_"+str(f1_std_CV), str(auc_CV)+"_"+str(auc_std_CV), str(kappa)+"_"+str(kappa_stdev), kappa_prevalence,kappa_bias,"model_file.pkl"] self.model.append(clf_RF) self.csv_text.append(result_string_cut) # except Exception as e: # print "got %d models" % len(self.model) # print e # sys.exit(-1) # break return True if len(self.model)>0 else False def save_model_info(self,outfile,mode="html"): """create html- or csv-File for models according to mode (default: "html")""" if mode=="csv": if not outfile.endswith(".csv"): outfile += ".csv" csv_file = open(outfile,"wb") csv_file_writer = csv.writer(csv_file,delimiter=";",quotechar=' ') for line in self.csv_text: csv_file_writer.writerow(line) csv_file.flush() csv_file.close() elif mode=="html": if not outfile.endswith(".html"): outfile += ".html" def lines2list(lines): return lines def list2html(data,act,inact): html_head = """<html> <head> <meta http-equiv="Content-Type" content="text/html; charset=utf-8"> <title></title> <style type="text/css"> table { max-width: 100%; background-color: transparent; } th { text-align: left; } .table { width: 100%; margin-bottom: 20px; } .table > thead > tr > th, .table > tbody > tr > th, .table > tfoot > tr > th, .table > thead > tr > td, .table > tbody > tr > td, .table > tfoot > tr > td { padding: 8px; line-height: 1.428571429; vertical-align: top; border-top: 1px solid #dddddd; } .table > thead > tr > th {MSC1013123 vertical-align: bottom; border-bottom: 2px solid #dddddd; } .table > caption + thead > tr:first-child > th, .table > colgroup + thead > tr:first-child > th, .table > thead:first-child > tr:first-child > th, .table > caption + thead > tr:first-child > td, .table > colgroup + thead > tr:first-child > td, .table > thead:first-child > tr:first-child > td { border-top: 0; } .table > tbody + tbody { border-top: 2px solid #dddddd; } .table .table { background-color: #ffffff; } .table-condensed > thead > tr > th, .table-condensed > tbody > tr > th, .table-condensed > tfoot > tr > th, .table-condensed > thead > tr > td, .table-condensed > tbody > tr > td, .table-condensed > tfoot > tr > td { padding: 5px; } .table-bordered { border: 1px solid #dddddd; } .table-bordered > thead > tr > th, .table-bordered > tbody > tr > th, .table-bordered > tfoot > tr > th, .table-bordered > thead > tr > td, .table-bordered > tbody > tr > td, .table-bordered > tfoot > tr > td { border: 1px solid #dddddd; } .table-bordered > thead > tr > th, .table-bordered > thead > tr > td { border-bottom-width: 2px; } .table-striped > tbody > tr:nth-child(odd) > td, .table-striped > tbody > tr:nth-child(odd) > th { background-color: #f9f9f9; } .table-hover > tbody > tr:hover > td, .table-hover > tbody > tr:hover > th { background-color: #f5f5f5; } table col[class*="col-"] { position: static; display: table-column; float: none; } table td[class*="col-"], table th[class*="col-"] { display: table-cell; float: none; } .table > thead > tr > .active, .table > tbody > tr > .active, .table > tfoot > tr > .active, .table > thead > .active > td, .table > tbody > .active > td, .table > tfoot > .active > td, .table > thead > .active > th, .table > tbody > .active > th, .table > tfoot > .active > th { background-color: #f5f5f5; } .table-hover > tbody > tr > .active:hover, .table-hover > tbody > .active:hover > td, .table-hover > tbody > .active:hover > th { background-color: #e8e8e8; } .table > thead > tr > .success, .table > tbody > tr > .success, .table > tfoot > tr > .success, .table > thead > .success > td, .table > tbody > .success > td, .table > tfoot > .success > td, .table > thead > .success > th, .table > tbody > .success > th, .table > tfoot > .success > th { background-color: #dff0d8; } .table-hover > tbody > tr > .success:hover, .table-hover > tbody > .success:hover > td, .table-hover > tbody > .success:hover > th { background-color: #d0e9c6; } .table > thead > tr > .danger, .table > tbody > tr > .danger, .table > tfoot > tr > .danger, .table > thead > .danger > td, .table > tbody > .danger > td, .table > tfoot > .danger > td, .table > thead > .danger > th, .table > tbody > .danger > th, .table > tfoot > .danger > th { background-color: #f2dede; } .table-hover > tbody > tr > .danger:hover, .table-hover > tbody > .danger:hover > td, .table-hover > tbody > .danger:hover > th { background-color: #ebcccc; } .table > thead > tr > .warning, .table > tbody > tr > .warning, .table > tfoot > tr > .warning, .table > thead > .warning > td, .table > tbody > .warning > td, .table > tfoot > .warning > td, .table > thead > .warning > th, .table > tbody > .warning > th, .table > tfoot > .warning > th { background-color: #fcf8e3; } .table-hover > tbody > tr > .warning:hover, .table-hover > tbody > .warning:hover > td, .table-hover > tbody > .warning:hover > th { background-color: #faf2cc; } @media (max-width: 767px) { .table-responsive { width: 100%; margin-bottom: 15px; overflow-x: scroll; overflow-y: hidden; border: 1px solid #dddddd; -ms-overflow-style: -ms-autohiding-scrollbar; -webkit-overflow-scrolling: touch; } .table-responsive > .table { margin-bottom: 0; } .table-responsive > .table > thead > tr > th, .table-responsive > .table > tbody > tr > th, .table-responsive > .table > tfoot > tr > th, .table-responsive > .table > thead > tr > td, .table-responsive > .table > tbody > tr > td, .table-responsive > .table > tfoot > tr > td { white-space: nowrap; } .table-responsive > .table-bordered { border: 0; } .table-responsive > .table-bordered > thead > tr > th:first-child, .table-responsive > .table-bordered > tbody > tr > th:first-child, .table-responsive > .table-bordered > tfoot > tr > th:first-child, .table-responsive > .table-bordered > thead > tr > td:first-child, .table-responsive > .table-bordered > tbody > tr > td:first-child, .table-responsive > .table-bordered > tfoot > tr > td:first-child { border-left: 0; } .table-responsive > .table-bordered > thead > tr > th:last-child, .table-responsive > .table-bordered > tbody > tr > th:last-child, .table-responsive > .table-bordered > tfoot > tr > th:last-child, .table-responsive > .table-bordered > thead > tr > td:last-child, .table-responsive > .table-bordered > tbody > tr > td:last-child, .table-responsive > .table-bordered > tfoot > tr > td:last-child { border-right: 0; } .table-responsive > .table-bordered > tbody > tr:last-child > th, .table-responsive > .table-bordered > tfoot > tr:last-child > th, .table-responsive > .table-bordered > tbody > tr:last-child > td, .table-responsive > .table-bordered > tfoot > tr:last-child > td { border-bottom: 0; } } </style> </head> <body> <p style="padding-left:10px;padding-top:10px;font-size:200&#37;">Data for Models</p> <p style="padding-left:10px;padding-right:10px;">""" html_topPlot_start = """<table style="vertical-align:top; background-color=#CCCCCC"> <tr align="left" valign="top"><td><img src="pieplot.png"></td><td><H3>Distribution</H3><font color="#00C000">active %d</font><br><font color="#FF0000">inactive %d</td><td>""" html_topPlot_bottom="""</td></tr></table>""" html_tableStart="""<table class="table table-bordered table-condensed"> <thead> <tr> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> </tr> </thead> <tbody>""" html_tElements =""" <tr bgcolor = "%s"> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td><a href="%s">model.pkl</a></td> </tr>""" html_bottomPlot = """</tbody> </table> <img src="barplot.png"><br>""" html_foot =""" </p> </body> </html>""" html_kappa_table_head="""<table class="table table-bordered table-condensed"> <thead> <tr> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> <th>%s</th> </tr> </thead> <tbody>""" html_kappa_table_element="""<tr bgcolor = "%s"> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td>%s</td> <td><a href="%s">model.pkl</a></td> </tr>""" html_kappa_table_bottom="""</tbody> </table> <img src="barplot.png"><br>""" best,worst = findBestWorst(data) html = [] html.append(html_head) html.append(html_topPlot_start % (act,inact)) html.append(html_topPlot_bottom) html.append(html_tableStart % tuple(data[0])) i = 0 for l in data[1:len(data)]: l_replaced = [] for elem in l: elem_string = str(elem) if elem_string.find("pkl")==-1: l_replaced.append(elem_string.replace("_","±")) else: l_replaced.append(elem_string) c = "" if i == best: c = "#9CC089" if i == worst: c = "#FF3333" html.append(html_tElements % tuple([c] + l_replaced)) i += 1 html.append(html_bottomPlot) html.append(html_foot) createBarPlot(data) return html def writeHtml(html,outf): outf_h = open(outf,'w') for block in html: outf_h.write(block) outf_h.flush() outf_h.close() return def findBestWorst(data): auc = [float(x[6].split("_")[0]) for x in data[1:]] max_index,min_index = auc.index(max(auc)),auc.index(min(auc)) return (max_index,min_index) def createPiePlot(cpds): def getActInact(cpds): act,inact=0,0 for cpd in cpds: if int(cpd.GetProp('TL'))==0: inact+=1 else: act+=1 return act,inact act_count,inact_count = getActInact(cpds) print("act/inact from TL's %d/%d" % (act_count,inact_count)) fig = plt.figure(figsize=(2,2)) pie = plt.pie([inact_count,act_count],colors=('r','g')) fig.savefig("pieplot.png",transparent=True) return act_count,inact_count def createBarPlot(data): def getLists(data,col): accList = [] errList = [] for x in data[1:]: if x[col].find("_")==-1: continue if x[col].find(".pkl")!=-1:continue spl = x[col].split("_") accList.append(float(spl[0])) errList.append(float(spl[1])) return accList,errList def plotLists(cnt): result=[] clr = ['#DD1E2F','#EBB035','#06A2CB','#218559','#D0C6B1','#192823','#DDAACC'] # print ticks, list,errList,width # print ticks for i in range(1,cnt): list,errList = getLists(data,i) # print i,cnt,list,errList result.append(ax.bar(ticks+width*i,list,width,color=clr[i-1],yerr=errList)) return result fig,ax = plt.subplots() fig.set_size_inches(15,6) ticks = np.arange(0.0,12.0,1.2) if len(self.model)==1: ticks = np.arange(0.0,1.0,1.5) width = 0.15 plots = plotLists(8) ax.set_xticks(ticks+0.75) ax.set_xticklabels([str(x) for x in range(1,11,1)]) ax.set_ylabel("Accuracy") ax.set_xlabel("# model") ax.set_xlim(-0.3,14) ax.set_ylim(-0.1,1.2) ax.legend(tuple(plots),[x for x in data[0][1:8]],'upper right') best,worst = findBestWorst(data) if len(self.model)>1: ax.annotate("best",xy=(ticks[best],0.85),xytext=(ticks[best]+0.25,1.1),color="green") ax.annotate("worst",xy=(ticks[worst],0.85),xytext=(ticks[worst]+0.25,1.10),color="red") fig.savefig("barplot.png",transparent=True) return act,inact = createPiePlot(self.sd_entries) lines = self.csv_text data = lines2list(lines) html = list2html(data,act,inact) writeHtml(html,outfile) return True def load_mols(self,sd_file): """load SD-File from .sdf, .sdf.gz or .sd.gz""" if sd_file.endswith(".sdf.gz") or sd_file.endswith(".sd.gz"): SDFile = Chem.ForwardSDMolSupplier(gzip.open(sd_file)) else: SDFile = Chem.SDMolSupplier(sd_file) self.sd_entries = [mol for mol in SDFile] return True def save_mols(self,outfile,gzip=True): """create SD-File of current molecules in self.sd_entries""" sdw = Chem.SDWriter(outfile+".tmp") for mol in self.sd_entries: sdw.write(mol) sdw.flush() sdw.close() if not gzip: os.rename(outfile+".tmp",outfile) return f_in = open(outfile+".tmp", 'rb') f_out = gzip.open(outfile, 'wb') f_out.writelines(f_in) f_out.flush() f_out.close() f_in.close() os.remove(outfile+".tmp") return def save_model(self,outfile,model_number=0): """save Model to file using cPickle.dump""" cPickle.dump(self.model[model_number],file(outfile,"wb+")) return def load_models(self,model_files): """load model or list of models into self.model""" if type(model_files)==str: model_files = [model_files] i = 0 for mod_file in model_files: model = open(mod_file,'r') unPickled = Unpickler(model) clf_RF = unPickled.load() self.model.append(clf_RF) model.close() i += 1 return i def predict(self,model_number): """try to predict activity of compounds using giving model-Number""" if len(self.model)<=model_number: sys.stderr.write("\nModel-Number %d doesn't exist, there are just %d Models\n" % (model_number,len(self.model))) sys.exit(-1) descriptors = [] active,inactive = 0,0 for D in Descriptors._descList: descriptors.append(D[0]) calculator = MoleculeDescriptors.MolecularDescriptorCalculator(descriptors) clf_RF = self.model[model_number] for sample in self.sd_entries: use = False try: pattern = calculator.CalcDescriptors(sample) use = True except e: sys.stderr.write("Error computing descriptors for %s, skip" % sample) if use: dataDescrs_array = np.asarray(pattern) y_predict = int(clf_RF.predict(dataDescrs_array)[0]) if y_predict==0: inactive += 1 if y_predict==1: active += 1 sample.SetProp("TL_prediction",str(y_predict)) return (active,inactive) if __name__ == "__main__": def step_error(step): sys.stderr.write("Error in Step: %s" % step) usage = "usage: python master.py [--accession=<Acc_ID>] [--sdf=<sdf-File>] --dupl/--uniq [--rof] [--combine=<file1>,<file2>] [--IC50=<IC50_tag>] [--cutoff=<value>] [--remove_descr=<txt_file>] [--proxy=<https://user:pass@proxy.de:portnumber] [--verbous] [--check_models=<model.pkl>]" parser = optparse.OptionParser(usage=usage) parser.add_option('--accession',action='store',type='string',dest='accession',help="Accession ID of Protein (hint: P43088 is Vitamin_D_Receptor with ~200 compounds)",default='') parser.add_option('--rof',action='store_true',dest='onefile',help='remove obsolete Files',default=False) parser.add_option('--dupl',action='store_true',dest='dupl',help='use only duplicates',default=False) parser.add_option('--uniq',action='store_true',dest='uniq',help='use only uniques',default=False) parser.add_option('--combine',action='store',type='string',dest='combine',help='Combine 2 SDF/SDF.GZ Files',default='') parser.add_option('--IC50',action='store',type='string',dest='SD_tag',help='name of IC50 field, default is \'value\'',default='value') parser.add_option('--cutoff',action='store',type='int',dest='cutoff',help='cutoff-value for hERG-trafficlight, default is \'5000\'',default=5000) parser.add_option('--remove_descr',action='store',type='string',dest='remove_descr',help='file with SDtags2remove, line-wise default:<internal list>',default='') parser.add_option('--proxy',action='store',type='string',dest='proxy',help='Use this Proxy',default='') parser.add_option('--sdf',action='store',type='string',dest='sdf',help='load this SDF-File',default='') parser.add_option('--verbous',action='store_true',dest='verbous',help='verbous',default=False) parser.add_option('--check_models',action='store',type='string',dest='modelfile',help='check compounds with this model',default='') (options,args) = parser.parse_args() combineItems = options.combine.split(',') if len(combineItems) == 1 and len(combineItems[0])>0: print('need 2 files to combine') print(usage) sys.exit(-1) elif len(combineItems) == 2 and len(combineItems[0])>0 and len(combineItems[1])>0: cur_file = _04.combine(combineItems[0],combineItems[1]) print("File: %s" % cur_file) sys.exit(0) code = options.accession.split(':') if len(code)==1: accession = code[0] else: accession = code[1] if options.accession == '' and options.sdf == '': print("please offer Accession-Number or SDF-File") print("-h for help") sys.exit(-1) if options.dupl==False and options.uniq==False: print("Please select uniq or dupl -h for help") print("-h for help") sys.exit(-1) pco = p_con(accession,proxy=options.proxy) pco.verbous = options.verbous if options.sdf != '': print("load sdf from File: %s" % options.sdf) result = pco.load_mols(options.sdf) if not result: step_error("load SDF-File") sys.exit(-1) else: print("gather Data for Accession-ID \'%s\'" % accession) result = pco.step_0_get_chembl_data() if not result: step_error("download ChEMBL-Data") sys.exit(-1) result = pco.step_1_keeplargestfrag() if not result: step_error("keep largest Fragment") sys.exit(-1) if options.uniq: result = pco.step_2_remove_dupl() if not result: step_error("remove duplicates") sys.exit(-1) result = pco.step_3_merge_IC50() if not result: step_error("merge IC50-Values for same Smiles") sys.exit(-1) if options.modelfile != '': result = pco.load_models(options.modelfile.split(",")) if not result: step_error("Load Model-Files") sys.exit(-1) print("\n#Model\tActive\tInactive") for i in range(len(pco.model)): act,inact = pco.predict(i) print("%d\t%d\t%d" % (i,act,inact)) sys.exit(0) result = pco.step_4_set_TL(options.cutoff) if not result: step_error("set Trafficlight for cutoff") sys.exit(-1) result = pco.step_5_remove_descriptors() if not result: step_error("remove descriptors") sys.exit(-1) result = pco.step_6_calc_descriptors() if not result: step_error("calculate Descriptors") sys.exit(-1) result = pco.step_7_train_models() if not result: step_error("Training of Models") sys.exit(-1) pco.save_model_info("model_info.csv",mode="csv") pco.save_model_info("model_info.html",mode="html") for i in range(len(pco.model)): filename = "%s_%dnm_model_%d.pkl" % (accession,options.cutoff,i) pco.save_model(filename,i) print("Model %d saved into File: %s" % (i,filename)) for i in range(len(pco.model)): act,inact = pco.predict(i) print("Model %d active: %d\tinactive: %d" % (i,act,inact))
soerendip42/rdkit
Contrib/pzc/p_con.py
Python
bsd-3-clause
48,985
[ "ASE", "RDKit" ]
9522915bb86d4f8384aeb825c37beef196473656d4a423bd5073c4cf6698c963
# Zulip Settings intended to be set by a system administrator. # # See http://zulip.readthedocs.io/en/latest/settings.html for # detailed technical documentation on the Zulip settings system. # ### MANDATORY SETTINGS # # These settings MUST be set in production. In a development environment, # sensible default values will be used. # The user-accessible Zulip hostname for this installation, e.g. # zulip.example.com EXTERNAL_HOST = 'zulip.example.com' # The email address for the person or team who maintain the Zulip # Voyager installation. Will also get support emails. (e.g. zulip-admin@example.com) ZULIP_ADMINISTRATOR = 'zulip-admin@example.com' # Enable at least one of the following authentication backends. # See http://zulip.readthedocs.io/en/latest/prod-authentication-methods.html # for documentation on our authentication backends. AUTHENTICATION_BACKENDS = ( # 'zproject.backends.EmailAuthBackend', # Email and password; see SMTP setup below # 'zproject.backends.GoogleMobileOauth2Backend', # Google Apps, setup below # 'zproject.backends.GitHubAuthBackend', # GitHub auth, setup below # 'zproject.backends.ZulipLDAPAuthBackend', # LDAP, setup below # 'zproject.backends.ZulipRemoteUserBackend', # Local SSO, setup docs on readthedocs ) # To enable Google authentication, you need to do the following: # # (1) Visit https://console.developers.google.com, setup an # Oauth2 client ID that allows redirects to # e.g. https://zulip.example.com/accounts/login/google/done/. # # (2) Then click into the APIs and Auth section (in the sidebar on the # left side of the page), APIs, then under "Social APIs" click on # "Google+ API" and click the button to enable the API. # # (3) put your client secret as "google_oauth2_client_secret" in # zulip-secrets.conf, and your client ID right here: # GOOGLE_OAUTH2_CLIENT_ID=<your client ID from Google> # To enable GitHub authentication, you will need to need to do the following: # # (1) Register an OAuth2 application with GitHub at one of: # https://github.com/settings/applications # https://github.com/organizations/ORGNAME/settings/applications # Specify e.g. https://zulip.example.com/complete/github/ as the callback URL. # # (2) Put your "Client ID" as SOCIAL_AUTH_GITHUB_KEY below and your # "Client secret" as social_auth_github_secret in # /etc/zulip/zulip-secrets.conf. # SOCIAL_AUTH_GITHUB_KEY = <your client ID from GitHub> # # (3) You can also configure the GitHub integration to only allow # members of a particular GitHub team or organization to login to your # Zulip server using GitHub authentication; to enable this, set one of the # two parameters below: # SOCIAL_AUTH_GITHUB_TEAM_ID = <your team id> # SOCIAL_AUTH_GITHUB_ORG_NAME = <your org name> # If you are using the ZulipRemoteUserBackend authentication backend, # set this to your domain (e.g. if REMOTE_USER is "username" and the # corresponding email address is "username@example.com", set # SSO_APPEND_DOMAIN = "example.com") SSO_APPEND_DOMAIN = None # type: str # Configure the outgoing SMTP server below. For testing, you can skip # sending emails entirely by commenting out EMAIL_HOST, but you will # want to configure this to support email address confirmation emails, # missed message emails, onboarding follow-up emails, etc. To # configure SMTP, you will need to complete the following steps: # # (1) Fill out the outgoing email sending configuration below. # # (2) Put the SMTP password for EMAIL_HOST_USER in # /etc/zulip/zulip-secrets.conf as email_password. # # (3) If you are using a gmail account to send outgoing email, you # will likely need to read this Google support answer and configure # that account as "less secure": # https://support.google.com/mail/answer/14257. # # You can quickly test your sending email configuration using: # ./manage.py send_test_email username@example.com # # A common problem is hosting providers that block outgoing SMTP traffic. # # With the exception of reading EMAIL_HOST_PASSWORD from # email_password in the Zulip secrets file, Zulip uses Django's # standard EmailBackend, so if you're having issues, you may want to # search for documentation on using your email provider with Django. EMAIL_HOST = 'smtp.gmail.com' EMAIL_HOST_USER = '' EMAIL_PORT = 587 EMAIL_USE_TLS = True # The email From address to be used for automatically generated emails DEFAULT_FROM_EMAIL = "Zulip <zulip@example.com>" # The noreply address to be used as Reply-To for certain generated emails. # Messages sent to this address should not be delivered anywhere. NOREPLY_EMAIL_ADDRESS = "noreply@example.com" # A comma-separated list of strings representing the host/domain names # that your users will enter in their browsers to access your Zulip # server. This is a security measure to prevent an attacker from # poisoning caches and triggering password reset emails with links to # malicious hosts by submitting requests with a fake HTTP Host # header. See Django's documentation here: # <https://docs.djangoproject.com/en/1.9/ref/settings/#allowed-hosts>. # Zulip adds 'localhost' to the list automatically. ALLOWED_HOSTS = [EXTERNAL_HOST] ### OPTIONAL SETTINGS # Controls whether session cookies expire when the browser closes SESSION_EXPIRE_AT_BROWSER_CLOSE = False # Session cookie expiry in seconds after the last page load SESSION_COOKIE_AGE = 60 * 60 * 24 * 7 * 2 # 2 weeks # Controls password strength requirements PASSWORD_MIN_LENGTH = 6 PASSWORD_MIN_ZXCVBN_QUALITY = 0.4 # 0 to disable # Controls whether or not there is a feedback button in the UI. ENABLE_FEEDBACK = False # By default, the feedback button will submit feedback to the Zulip # developers. If you set FEEDBACK_EMAIL to be an email address # (e.g. ZULIP_ADMINISTRATOR), feedback sent by your users will instead # be sent to that email address. FEEDBACK_EMAIL = ZULIP_ADMINISTRATOR # Controls whether or not error reports are sent to Zulip. Error # reports are used to improve the quality of the product and do not # include message contents; please contact Zulip support with any # questions. ERROR_REPORTING = True # Controls whether or not Zulip will provide inline image preview when # a link to an image is referenced in a message. INLINE_IMAGE_PREVIEW = True # Controls whether or not Zulip will parse links starting with # "file:///" as a hyperlink (useful if you have e.g. an NFS share). ENABLE_FILE_LINKS = False # By default, files uploaded by users and user avatars are stored # directly on the Zulip server. If file storage in Amazon S3 is # desired, you can configure that as follows: # # (1) Set s3_key and s3_secret_key in /etc/zulip/zulip-secrets.conf to # be the S3 access and secret keys that you want to use, and setting # the S3_AUTH_UPLOADS_BUCKET and S3_AVATAR_BUCKET to be the S3 buckets # you've created to store file uploads and user avatars, respectively. # Then restart Zulip (scripts/restart-zulip). # # (2) Edit /etc/nginx/sites-available/zulip-enterprise to comment out # the nginx configuration for /user_uploads and /user_avatars (see # https://github.com/zulip/zulip/issues/291 for discussion of a better # solution that won't be automatically reverted by the Zulip upgrade # script), and then restart nginx. LOCAL_UPLOADS_DIR = "/home/zulip/uploads" #S3_AUTH_UPLOADS_BUCKET = "" #S3_AVATAR_BUCKET = "" # Maximum allowed size of uploaded files, in megabytes. DO NOT SET # ABOVE 80MB. The file upload implementation doesn't support chunked # uploads, so browsers will crash if you try uploading larger files. MAX_FILE_UPLOAD_SIZE = 25 # Controls whether name changes are completely disabled for this installation # This is useful in settings where you're syncing names from an integrated LDAP/Active Directory NAME_CHANGES_DISABLED = False # Controls whether users who have not uploaded an avatar will receive an avatar # from gravatar.com. ENABLE_GRAVATAR = True # To override the default avatar image if ENABLE_GRAVATAR is False, place your # custom default avatar image at /home/zulip/local-static/default-avatar.png # and uncomment the following line. #DEFAULT_AVATAR_URI = '/local-static/default-avatar.png' # To access an external postgres database you should define the host name in # REMOTE_POSTGRES_HOST, you can define the password in the secrets file in the # property postgres_password, and the SSL connection mode in REMOTE_POSTGRES_SSLMODE # Different options are: # disable: I don't care about security, and I don't want to pay the overhead of encryption. # allow: I don't care about security, but I will pay the overhead of encryption if the server insists on it. # prefer: I don't care about encryption, but I wish to pay the overhead of encryption if the server supports it. # require: I want my data to be encrypted, and I accept the overhead. I trust that the network will make sure # I always connect to the server I want. # verify-ca: I want my data encrypted, and I accept the overhead. I want to be sure that I connect to a server # that I trust. # verify-full: I want my data encrypted, and I accept the overhead. I want to be sure that I connect to a server # I trust, and that it's the one I specify. #REMOTE_POSTGRES_HOST = 'dbserver.example.com' #REMOTE_POSTGRES_SSLMODE = 'require' # If you want to set custom TOS, set the path to your markdown file, and uncomment # the following line. # TERMS_OF_SERVICE = '/etc/zulip/terms.md' ### TWITTER INTEGRATION # Zulip supports showing inline Tweet previews when a tweet is linked # to in a message. To support this, Zulip must have access to the # Twitter API via OAuth. To obtain the various access tokens needed # below, you must register a new application under your Twitter # account by doing the following: # # 1. Log in to http://dev.twitter.com. # 2. In the menu under your username, click My Applications. From this page, create a new application. # 3. Click on the application you created and click "create my access token". # 4. Fill in the values for twitter_consumer_key, twitter_consumer_secret, twitter_access_token_key, # and twitter_access_token_secret in /etc/zulip/zulip-secrets.conf. ### EMAIL GATEWAY INTEGRATION # The Email gateway integration supports sending messages into Zulip # by sending an email. This is useful for receiving notifications # from third-party services that only send outgoing notifications via # email. Once this integration is configured, each stream will have # an email address documented on the stream settings page an emails # sent to that address will be delivered into the stream. # # There are two ways to configure email mirroring in Zulip: # 1. Local delivery: A MTA runs locally and passes mail directly to Zulip # 2. Polling: Checks an IMAP inbox every minute for new messages. # # The local delivery configuration is preferred for production because # it supports nicer looking email addresses and has no cron delay, # while the polling mechanism is better for testing/developing this # feature because it doesn't require a public-facing IP/DNS setup. # # The main email mirror setting is the email address pattern, where # you specify the email address format you'd like the integration to # use. It should be one of the following: # %s@zulip.example.com (for local delivery) # username+%s@example.com (for polling if EMAIL_GATEWAY_LOGIN=username@example.com) EMAIL_GATEWAY_PATTERN = "" # # If you are using local delivery, EMAIL_GATEWAY_PATTERN is all you need # to change in this file. You will also need to enable the Zulip postfix # configuration to support local delivery by adding # , zulip::postfix_localmail # to puppet_classes in /etc/zulip/zulip.conf and then running # `scripts/zulip-puppet-apply -f` to do the installation. # # If you are using polling, you will need to setup an IMAP email # account dedicated to Zulip email gateway messages. The model is # that users will send emails to that account via an address of the # form username+%s@example.com (which is what you will set as # EMAIL_GATEWAY_PATTERN); your email provider should deliver those # emails to the username@example.com inbox. Then you run in a cron # job `./manage.py email_mirror` (see puppet/zulip/files/cron.d/email-mirror), # which will check that inbox and batch-process any new messages. # # You will need to configure authentication for the email mirror # command to access the IMAP mailbox below and in zulip-secrets.conf. # # The IMAP login; username here and password as email_gateway_password in # zulip-secrets.conf. EMAIL_GATEWAY_LOGIN = "" # The IMAP server & port to connect to EMAIL_GATEWAY_IMAP_SERVER = "" EMAIL_GATEWAY_IMAP_PORT = 993 # The IMAP folder name to check for emails. All emails sent to EMAIL_GATEWAY_PATTERN above # must be delivered to this folder EMAIL_GATEWAY_IMAP_FOLDER = "INBOX" ### LDAP integration configuration # Zulip supports retrieving information about users via LDAP, and # optionally using LDAP as an authentication mechanism. # # In either configuration, you will need to do the following: # # * Fill in the LDAP configuration options below so that Zulip can # connect to your LDAP server # # * Setup the mapping between email addresses (used as login names in # Zulip) and LDAP usernames. There are two supported ways to setup # the username mapping: # # (A) If users' email addresses are in LDAP, set # LDAP_APPEND_DOMAIN = None # AUTH_LDAP_USER_SEARCH to lookup users by email address # # (B) If LDAP only has usernames but email addresses are of the form # username@example.com, you should set: # LDAP_APPEND_DOMAIN = example.com and # AUTH_LDAP_USER_SEARCH to lookup users by username # # You can quickly test whether your configuration works by running: # ./manage.py query_ldap username@example.com # From the root of your Zulip installation; if your configuration is working # that will output the full name for your user. # # ------------------------------------------------------------- # # If you are using LDAP for authentication, you will need to enable # the zproject.backends.ZulipLDAPAuthBackend auth backend in # AUTHENTICATION_BACKENDS above. After doing so, you should be able # to login to Zulip by entering your email address and LDAP password # on the Zulip login form. # # If you are using LDAP to populate names in Zulip, once you finish # configuring this integration, you will need to run: # ./manage.py sync_ldap_user_data # To sync names for existing users; you may want to run this in a cron # job to pick up name changes made on your LDAP server. import ldap from django_auth_ldap.config import LDAPSearch, GroupOfNamesType # URI of your LDAP server. If set, LDAP is used to prepopulate a user's name in # Zulip. Example: "ldaps://ldap.example.com" AUTH_LDAP_SERVER_URI = "" # This DN will be used to bind to your server. If unset, anonymous # binds are performed. If set, you need to specify the password as # 'auth_ldap_bind_password' in zulip-secrets.conf. AUTH_LDAP_BIND_DN = "" # Specify the search base and the property to filter on that corresponds to the # username. AUTH_LDAP_USER_SEARCH = LDAPSearch("ou=users,dc=example,dc=com", ldap.SCOPE_SUBTREE, "(uid=%(user)s)") # If the value of a user's "uid" (or similar) property is not their email # address, specify the domain to append here. LDAP_APPEND_DOMAIN = None # type: str # This map defines how to populate attributes of a Zulip user from LDAP. AUTH_LDAP_USER_ATTR_MAP = { # Populate the Django user's name from the LDAP directory. "full_name": "cn", } # The default CAMO_URI of '/external_content/' is served by the camo # setup in the default Voyager nginx configuration. Setting CAMO_URI # to '' will disable the Camo integration. CAMO_URI = '/external_content/' # RabbitMQ configuration # # By default, Zulip connects to rabbitmq running locally on the machine, # but Zulip also supports connecting to RabbitMQ over the network; # to use a remote RabbitMQ instance, set RABBITMQ_HOST here. # RABBITMQ_HOST = "localhost" # To use another rabbitmq user than the default 'zulip', set RABBITMQ_USERNAME here. # RABBITMQ_USERNAME = 'zulip' # Memcached configuration # # By default, Zulip connects to memcached running locally on the machine, # but Zulip also supports connecting to memcached over the network; # to use a remote Memcached instance, set MEMCACHED_LOCATION here. # Format HOST:PORT # MEMCACHED_LOCATION = 127.0.0.1:11211 # Redis configuration # # By default, Zulip connects to redis running locally on the machine, # but Zulip also supports connecting to redis over the network; # to use a remote Redis instance, set REDIS_HOST here. # REDIS_HOST = '127.0.0.1' # For a different redis port set the REDIS_PORT here. # REDIS_PORT = 6379 # If you set redis_password in zulip-secrets.conf, Zulip will use that password # to connect to the redis server. # Controls whether Zulip will rate-limit user requests. # RATE_LIMITING = True
Diptanshu8/zulip
zproject/prod_settings_template.py
Python
apache-2.0
16,999
[ "VisIt" ]
b69917858bc18c9ed2b93059c7136cb972ce23e00726f3ecd42e3b49d4a22b1f
from django.core.urlresolvers import reverse_lazy from django.utils.translation import ugettext_lazy as _ from django.core.urlresolvers import reverse from horizon import exceptions from horizon import forms import json from crystal_dashboard.dashboards.crystal.controllers.instances import forms as instances_forms from crystal_dashboard.api import controllers as api class CreateInstanceView(forms.ModalFormView): form_class = instances_forms.CreateInstance form_id = "create_instance_form" modal_header = _("Create Instance") submit_label = _("Create Instance") submit_url = reverse_lazy("horizon:crystal:controllers:instances:create_instance") template_name = "crystal/controllers/instances/create.html" context_object_name = "instance" success_url = reverse_lazy("horizon:crystal:controllers:index") page_title = _("Create Instance") class UpdateInstanceView(forms.ModalFormView): form_class = instances_forms.UpdateInstance submit_url = "horizon:crystal:controllers:instances:update_instance" form_id = "update_instance_form" modal_header = _("Update an Instance") submit_label = _("Update Instance") template_name = "crystal/controllers/instances/update.html" context_object_name = 'instance' success_url = reverse_lazy('horizon:crystal:controllers:index') page_title = _("Update an Instance") def get_context_data(self, **kwargs): context = super(UpdateInstanceView, self).get_context_data(**kwargs) context['id'] = self.kwargs['id'] args = (self.kwargs['id'],) context['submit_url'] = reverse(self.submit_url, args=args) return context def _get_object(self, *args, **kwargs): instance_id = self.kwargs['id'] try: instance = api.get_instance(self.request, instance_id) return instance except Exception: redirect = self.success_url msg = _('Unable to retrieve instance details.') exceptions.handle(self.request, msg, redirect=redirect) def get_initial(self): instance = self._get_object() initial = json.loads(instance.text) initial['id'] = self.kwargs['id'] return initial
Crystal-SDS/dashboard
crystal_dashboard/dashboards/crystal/controllers/instances/views.py
Python
gpl-3.0
2,229
[ "CRYSTAL" ]
15297b558f05ac0b24d5e55afbbbe13a9b65454365b676dd2d6ec481e8a6aeb9
# Copyright (C) 2007-2010 www.stani.be # # 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 os from cStringIO import StringIO from itertools import cycle from urllib import urlopen from PIL import Image from PIL import ImageDraw from PIL import ImageEnhance from PIL import ImageOps, ImageChops, ImageFilter ALL_PALETTE_INDICES = set(range(256)) CHECKBOARD = {} COLOR_MAP = [255] * 128 + [0] * 128 WWW_CACHE = {} EXT_BY_FORMATS = { 'JPEG': ['JPG', 'JPEG', 'JPE'], 'TIFF': ['TIF', 'TIFF'], 'SVG': ['SVG', 'SVGZ'], } FORMATS_BY_EXT = {} for format, exts in EXT_BY_FORMATS.items(): for ext in exts: FORMATS_BY_EXT[ext] = format CROSS = 'Cross' ROUNDED = 'Rounded' SQUARE = 'Square' CORNERS = [ROUNDED, SQUARE, CROSS] CORNER_ID = 'rounded_corner_r%d_f%d' CROSS_POS = (CROSS, CROSS, CROSS, CROSS) ROUNDED_POS = (ROUNDED, ROUNDED, ROUNDED, ROUNDED) ROUNDED_RECTANGLE_ID = 'rounded_rectangle_r%d_f%d_s%s_p%s' class InvalidWriteFormatError(Exception): pass def drop_shadow(image, horizontal_offset=5, vertical_offset=5, background_color=(255, 255, 255, 0), shadow_color=0x444444, border=8, shadow_blur=3, force_background_color=False, cache=None): """Add a gaussian blur drop shadow to an image. :param image: The image to overlay on top of the shadow. :param type: PIL Image :param offset: Offset of the shadow from the image as an (x,y) tuple. Can be positive or negative. :type offset: tuple of integers :param background_color: Background color behind the image. :param shadow_color: Shadow color (darkness). :param border: Width of the border around the image. This must be wide enough to account for the blurring of the shadow. :param shadow_blur: Number of times to apply the filter. More shadow_blur produce a more blurred shadow, but increase processing time. """ if cache is None: cache = {} if has_transparency(image) and image.mode != 'RGBA': # Make sure 'LA' and 'P' with trasparency are handled image = image.convert('RGBA') #get info size = image.size mode = image.mode back = None #assert image is RGBA if mode != 'RGBA': if mode != 'RGB': image = image.convert('RGB') mode = 'RGB' #create cache id id = ''.join([str(x) for x in ['shadow_', size, horizontal_offset, vertical_offset, border, shadow_blur, background_color, shadow_color]]) #look up in cache if id in cache: #retrieve from cache back, back_size = cache[id] if back is None: #size of backdrop back_size = (size[0] + abs(horizontal_offset) + 2 * border, size[1] + abs(vertical_offset) + 2 * border) #create shadow mask if mode == 'RGBA': image_mask = get_alpha(image) shadow = Image.new('L', back_size, 0) else: image_mask = Image.new(mode, size, shadow_color) shadow = Image.new(mode, back_size, background_color) shadow_left = border + max(horizontal_offset, 0) shadow_top = border + max(vertical_offset, 0) paste(shadow, image_mask, (shadow_left, shadow_top, shadow_left + size[0], shadow_top + size[1])) del image_mask # free up memory #blur shadow mask #Apply the filter to blur the edges of the shadow. Since a small #kernel is used, the filter must be applied repeatedly to get a decent #blur. n = 0 while n < shadow_blur: shadow = shadow.filter(ImageFilter.BLUR) n += 1 #create back if mode == 'RGBA': back = Image.new('RGBA', back_size, shadow_color) back.putalpha(shadow) del shadow # free up memory else: back = shadow cache[id] = back, back_size #Paste the input image onto the shadow backdrop image_left = border - min(horizontal_offset, 0) image_top = border - min(vertical_offset, 0) if mode == 'RGBA': paste(back, image, (image_left, image_top), image) if force_background_color: mask = get_alpha(back) paste(back, Image.new('RGB', back.size, background_color), (0, 0), ImageChops.invert(mask)) back.putalpha(mask) else: paste(back, image, (image_left, image_top)) return back def round_image(image, cache={}, round_all=True, rounding_type=None, radius=100, opacity=255, pos=ROUNDED_POS, back_color='#FFFFFF'): if image.mode != 'RGBA': image = image.convert('RGBA') if round_all: pos = 4 * (rounding_type, ) mask = create_rounded_rectangle(image.size, cache, radius, opacity, pos) paste(image, Image.new('RGB', image.size, back_color), (0, 0), ImageChops.invert(mask)) image.putalpha(mask) return image def create_rounded_rectangle(size=(600, 400), cache={}, radius=100, opacity=255, pos=ROUNDED_POS): #rounded_rectangle im_x, im_y = size rounded_rectangle_id = ROUNDED_RECTANGLE_ID % (radius, opacity, size, pos) if rounded_rectangle_id in cache: return cache[rounded_rectangle_id] else: #cross cross_id = ROUNDED_RECTANGLE_ID % (radius, opacity, size, CROSS_POS) if cross_id in cache: cross = cache[cross_id] else: cross = cache[cross_id] = Image.new('L', size, 0) draw = ImageDraw.Draw(cross) draw.rectangle((radius, 0, im_x - radius, im_y), fill=opacity) draw.rectangle((0, radius, im_x, im_y - radius), fill=opacity) if pos == CROSS_POS: return cross #corner corner_id = CORNER_ID % (radius, opacity) if corner_id in cache: corner = cache[corner_id] else: corner = cache[corner_id] = create_corner(radius, opacity) #rounded rectangle rectangle = Image.new('L', (radius, radius), 255) rounded_rectangle = cross.copy() for index, angle in enumerate(pos): if angle == CROSS: continue if angle == ROUNDED: element = corner else: element = rectangle if index % 2: x = im_x - radius element = element.transpose(Image.FLIP_LEFT_RIGHT) else: x = 0 if index < 2: y = 0 else: y = im_y - radius element = element.transpose(Image.FLIP_TOP_BOTTOM) paste(rounded_rectangle, element, (x, y)) cache[rounded_rectangle_id] = rounded_rectangle return rounded_rectangle def create_corner(radius=100, opacity=255, factor=2): corner = Image.new('L', (factor * radius, factor * radius), 0) draw = ImageDraw.Draw(corner) draw.pieslice((0, 0, 2 * factor * radius, 2 * factor * radius), 180, 270, fill=opacity) corner = corner.resize((radius, radius), Image.ANTIALIAS) return corner def get_format(ext): """Guess the image format by the file extension. :param ext: file extension :type ext: string :returns: image format :rtype: string .. warning:: This is only meant to check before saving files. For existing files open the image with PIL and check its format attribute. >>> get_format('jpg') 'JPEG' """ ext = ext.lstrip('.').upper() return FORMATS_BY_EXT.get(ext, ext) def open_image_data(data): """Open image from format data. :param data: image format data :type data: string :returns: image :rtype: pil.Image """ return Image.open(StringIO(data)) def open_image_exif(uri): """Open local files or remote files over http and transpose the image to its exif orientation. :param uri: image location :type uri: string :returns: image :rtype: pil.Image """ return transpose_exif(open_image(uri)) class _ByteCounter: """Helper class to count how many bytes are written to a file. .. see also:: :func:`get_size` >>> bc = _ByteCounter() >>> bc.write('12345') >>> bc.bytes 5 """ def __init__(self): self.bytes = 0 def write(self, data): self.bytes += len(data) def get_size(im, format, **options): """Gets the size in bytes if the image would be written to a file. :param format: image file format (e.g. ``'JPEG'``) :type format: string :returns: the file size in bytes :rtype: int """ try: out = _ByteCounter() im.save(out, format, **options) return out.bytes except AttributeError: # fall back on full in-memory compression out = StringIO() im.save(out, format, **options) return len(out.getvalue()) def get_quality(im, size, format, down=0, up=100, delta=1000, options=None): """Figure out recursively the quality save parameter to obtain a certain image size. This mostly used for ``JPEG`` images. :param im: image :type im: pil.Image :param format: image file format (e.g. ``'JPEG'``) :type format: string :param down: minimum file size in bytes :type down: int :param up: maximum file size in bytes :type up: int :param delta: fault tolerance in bytes :type delta: int :param options: image save options :type options: dict :returns: save quality :rtype: int Example:: filename = '/home/stani/sync/Desktop/IMGA3345.JPG' im = Image.open(filename) q = get_quality(im, 300000, "JPEG") im.save(filename.replace('.jpg', '_sized.jpg')) """ if options is None: options = {} q = options['quality'] = (down + up) / 2 if q == down or q == up: return max(q, 1) s = get_size(im, format, **options) if abs(s - size) < delta: return q elif s > size: return get_quality(im, size, format, down, up=q, options=options) else: return get_quality(im, size, format, down=q, up=up, options=options) def fill_background_color(image, color): """Fills given image with background color. :param image: source image :type image: pil.Image :param color: background color :type color: tuple of int :returns: filled image :rtype: pil.Image """ if image.mode == 'LA': image = image.convert('RGBA') elif image.mode != 'RGBA' and\ not (image.mode == 'P' and 'transparency' in image.info): return image if len(color) == 4 and color[-1] != 255: mode = 'RGBA' else: mode = 'RGB' back = Image.new(mode, image.size, color) if (image.mode == 'P' and mode == 'RGBA'): image = image.convert('RGBA') if has_alpha(image): paste(back, image, mask=image) elif image.mode == 'P': palette = image.getpalette() index = image.info['transparency'] palette[index * 3: index * 3 + 3] = color[:3] image.putpalette(palette) del image.info['transparency'] back = image else: paste(back, image) return back def generate_layer(image_size, mark, method, horizontal_offset, vertical_offset, horizontal_justification, vertical_justification, orientation, opacity): """Generate new layer for backgrounds or watermarks on which a given image ``mark`` can be positioned, scaled or repeated. :param image_size: size of the reference image :type image_size: tuple of int :param mark: image mark :type mark: pil.Image :param method: ``'Tile'``, ``'Scale'``, ``'By Offset'`` :type method: string :param horizontal_offset: horizontal offset :type horizontal_offset: int :param vertical_offset: vertical offset :type vertical_offset: int :param horizontal_justification: ``'Left'``, ``'Middle'``, ``'Right'`` :type horizontal_justification: string :param vertical_justification: ``'Top'``, ``'Middle'``, ``'Bottom'`` :type vertical_justification: string :param orientation: mark orientation (e.g. ``'ROTATE_270'``) :type orientation: string :param opacity: opacity within ``[0, 1]`` :type opacity: float :returns: generated layer :rtype: pil.Image .. see also:: :func:`reduce_opacity` """ mark = convert_safe_mode(open_image(mark)) opacity /= 100.0 mark = reduce_opacity(mark, opacity) layer = Image.new('RGBA', image_size, (0, 0, 0, 0)) if method == 'Tile': for y in range(0, image_size[1], mark.size[1]): for x in range(0, image_size[0], mark.size[0]): paste(layer, mark, (x, y)) elif method == 'Scale': # scale, but preserve the aspect ratio ratio = min(float(image_size[0]) / mark.size[0], float(image_size[1]) / mark.size[1]) w = int(mark.size[0] * ratio) h = int(mark.size[1] * ratio) mark = mark.resize((w, h)) paste(layer, mark, ((image_size[0] - w) / 2, (image_size[1] - h) / 2)) elif method == 'By Offset': location = calculate_location( horizontal_offset, vertical_offset, horizontal_justification, vertical_justification, image_size, mark.size) if orientation: orientation_value = getattr(Image, orientation) mark = mark.transpose(orientation_value) paste(layer, mark, location, force=True) else: raise ValueError('Unknown method "%s" for generate_layer.' % method) return layer def identity_color(image, value=0): """Get a color with same color component values. >>> im = Image.new('RGB', (1,1)) >>> identity_color(im, 2) (2, 2, 2) >>> im = Image.new('L', (1,1)) >>> identity_color(im, 7) 7 """ bands = image.getbands() if len(bands) == 1: return value return tuple([value for band in bands]) def blend(im1, im2, amount, color=None): """Blend two images with each other. If the images differ in size the color will be used for undefined pixels. :param im1: first image :type im1: pil.Image :param im2: second image :type im2: pil.Image :param amount: amount of blending :type amount: int :param color: color of undefined pixels :type color: tuple :returns: blended image :rtype: pil.Image """ im2 = convert_safe_mode(im2) if im1.size == im2.size: im1 = convert(im1, im2.mode) else: if color is None: expanded = Image.new(im2.mode, im2.size) elif im2.mode in ('1', 'L') and type(color) != int: expanded = Image.new(im2.mode, im2.size, color[0]) else: expanded = Image.new(im2.mode, im2.size, color) im1 = im1.convert(expanded.mode) we, he = expanded.size wi, hi = im1.size paste(expanded, im1, ((we - wi) / 2, (he - hi) / 2), im1.convert('RGBA')) im1 = expanded return Image.blend(im1, im2, amount) def reduce_opacity(im, opacity): """Returns an image with reduced opacity if opacity is within ``[0, 1]``. :param im: source image :type im: pil.Image :param opacity: opacity within ``[0, 1]`` :type opacity: float :returns im: image :rtype: pil.Image >>> im = Image.new('RGBA', (1, 1), (255, 255, 255)) >>> im = reduce_opacity(im, 0.5) >>> im.getpixel((0,0)) (255, 255, 255, 127) """ if opacity < 0 or opacity > 1: return im alpha = get_alpha(im) alpha = ImageEnhance.Brightness(alpha).enhance(opacity) put_alpha(im, alpha) return im def calculate_location(horizontal_offset, vertical_offset, horizontal_justification, vertical_justification, canvas_size, image_size): """Calculate location based on offset and justification. Offsets can be positive and negative. :param horizontal_offset: horizontal offset :type horizontal_offset: int :param vertical_offset: vertical offset :type vertical_offset: int :param horizontal_justification: ``'Left'``, ``'Middle'``, ``'Right'`` :type horizontal_justification: string :param vertical_justification: ``'Top'``, ``'Middle'``, ``'Bottom'`` :type vertical_justification: string :param canvas_size: size of the total canvas :type canvas_size: tuple of int :param image_size: size of the image/text which needs to be placed :type image_size: tuple of int :returns: location :rtype: tuple of int .. see also:: :func:`generate layer` >>> calculate_location(50, 50, 'Left', 'Middle', (100,100), (10,10)) (50, 45) """ canvas_width, canvas_height = canvas_size image_width, image_height = image_size # check offsets if horizontal_offset < 0: horizontal_offset += canvas_width if vertical_offset < 0: vertical_offset += canvas_height # check justifications if horizontal_justification == 'Left': horizontal_delta = 0 elif horizontal_justification == 'Middle': horizontal_delta = -image_width / 2 elif horizontal_justification == 'Right': horizontal_delta = -image_width if vertical_justification == 'Top': vertical_delta = 0 elif vertical_justification == 'Middle': vertical_delta = -image_height / 2 elif vertical_justification == 'Bottom': vertical_delta = -image_height return horizontal_offset + horizontal_delta, \ vertical_offset + vertical_delta #################################### #### PIL helper functions #### #################################### def flatten(l): """Flatten a list. :param l: list to be flattened :type l: list :returns: flattened list :rtype: list >>> flatten([[1, 2], [3]]) [1, 2, 3] """ return [item for sublist in l for item in sublist] def has_alpha(image): """Checks if the image has an alpha band. i.e. the image mode is either RGBA or LA. The transparency in the P mode doesn't count as an alpha band :param image: the image to check :type image: PIL image object :returns: True or False :rtype: boolean """ return image.mode.endswith('A') def has_transparency(image): """Checks if the image has transparency. The image has an alpha band or a P mode with transparency. :param image: the image to check :type image: PIL image object :returns: True or False :rtype: boolean """ return (image.mode == 'P' and 'transparency' in image.info) or\ has_alpha(image) if Image.VERSION == '1.1.7': def split(image): """Work around for bug in Pil 1.1.7 :param image: input image :type image: PIL image object :returns: the different color bands of the image (eg R, G, B) :rtype: tuple """ image.load() return image.split() else: def split(image): """Work around for bug in Pil 1.1.7 :param image: input image :type image: PIL image object :returns: the different color bands of the image (eg R, G, B) :rtype: tuple """ return image.split() def get_alpha(image): """Gets the image alpha band. Can handles P mode images with transpareny. Returns a band with all values set to 255 if no alpha band exists. :param image: input image :type image: PIL image object :returns: alpha as a band :rtype: single band image object """ if has_alpha(image): return split(image)[-1] if image.mode == 'P' and 'transparency' in image.info: return image.convert('RGBA').split()[-1] # No alpha layer, create one. return Image.new('L', image.size, 255) def get_format_data(image, format): """Convert the image in the file bytes of the image. By consequence this byte data is different for the chosen format (``JPEG``, ``TIFF``, ...). .. see also:: :func:`thumbnail.get_format_data` :param image: source image :type impage: pil.Image :param format: image file type format :type format: string :returns: byte data of the image """ f = StringIO() convert_save_mode_by_format(image, format).save(f, format) return f.getvalue() def get_palette(image): """Gets the palette of an image as a sequence of (r, g, b) tuples. :param image: image with a palette :type impage: pil.Image :returns: palette colors :rtype: a sequence of (r, g, b) tuples """ palette = image.resize((256, 1)) palette.putdata(range(256)) return list(palette.convert("RGB").getdata()) def get_used_palette_indices(image): """Get used color indices in an image palette. :param image: image with a palette :type impage: pil.Image :returns: used colors of the palette :rtype: set of integers (0-255) """ return set(image.getdata()) def get_used_palette_colors(image): """Get used colors in an image palette as a sequence of (r, g, b) tuples. :param image: image with a palette :type impage: pil.Image :returns: used colors of the palette :rtype: sequence of (r, g, b) tuples """ used_indices = get_used_palette_indices(image) if 'transparency' in image.info: used_indices -= set([image.info['transparency']]) n = len(used_indices) palette = image.resize((n, 1)) palette.putdata(used_indices) return palette.convert("RGB").getdata() def get_unused_palette_indices(image): """Get unused color indices in an image palette. :param image: image with a palette :type impage: pil.Image :returns: unused color indices of the palette :rtype: set of 0-255 """ return ALL_PALETTE_INDICES - get_used_palette_indices(image) def fit_color_in_palette(image, color): """Fit a color into a palette. If the color exists already in the palette return its current index, otherwise add the color to the palette if possible. Returns -1 for color index if all colors are used already. :param image: image with a palette :type image: pil.Image :param color: color to fit :type color: (r, g, b) tuple :returns: color index, (new) palette :rtype: (r, g, b) tuple, sequence of (r, g, b) tuples """ palette = get_palette(image) try: index = palette.index(color) except ValueError: index = -1 if index > -1: # Check if it is not the transparent index, as that doesn't qualify. try: transparent = index == image.info['transparency'] except KeyError: transparent = False # If transparent, look further if transparent: try: index = palette[index + 1:].index(color) + index + 1 except ValueError: index = -1 if index == -1: unused = list(get_unused_palette_indices(image)) if unused: index = unused[0] palette[index] = color # add color to palette else: palette = None # palette is full return index, palette def put_palette(image_to, image_from, palette=None): """Copies the palette and transparency of one image to another. :param image_to: image with a palette :type image_to: pil.Image :param image_from: image with a palette :type image_from: pil.Image :param palette: image palette :type palette: sequence of (r, g, b) tuples or None """ if palette == None: palette = get_palette(image_from) image_to.putpalette(flatten(palette)) if 'transparency' in image_from.info: image_to.info['transparency'] = image_from.info['transparency'] def put_alpha(image, alpha): """Copies the given band to the alpha layer of the given image. :param image: input image :type image: PIL image object :param alpha: the alpha band to copy :type alpha: single band image object """ if image.mode in ['CMYK', 'YCbCr', 'P']: image = image.convert('RGBA') elif image.mode in ['1', 'F']: image = image.convert('RGBA') image.putalpha(alpha) def remove_alpha(image): """Returns a copy of the image after removing the alpha band or transparency :param image: input image :type image: PIL image object :returns: the input image after removing the alpha band or transparency :rtype: PIL image object """ if image.mode == 'RGBA': return image.convert('RGB') if image.mode == 'LA': return image.convert('L') if image.mode == 'P' and 'transparency' in image.info: img = image.convert('RGB') del img.info['transparency'] return img return image def paste(destination, source, box=(0, 0), mask=None, force=False): """"Pastes the source image into the destination image while using an alpha channel if available. :param destination: destination image :type destination: PIL image object :param source: source image :type source: PIL image object :param box: The box argument is either a 2-tuple giving the upper left corner, a 4-tuple defining the left, upper, right, and lower pixel coordinate, or None (same as (0, 0)). If a 4-tuple is given, the size of the pasted image must match the size of the region. :type box: tuple :param mask: mask or None :type mask: bool or PIL image object :param force: With mask: Force the invert alpha paste or not. Without mask: - If ``True`` it will overwrite the alpha channel of the destination with the alpha channel of the source image. So in that case the pixels of the destination layer will be abandoned and replaced by exactly the same pictures of the destination image. This is mostly what you need if you paste on a transparant canvas. - If ``False`` this will use a mask when the image has an alpha channel. In this case pixels of the destination image will appear through where the source image is transparent. :type force: bool """ # Paste on top if mask and source == mask: if has_alpha(source): # invert_alpha = the transparant pixels of the destination if has_alpha(destination) and (destination.size == source.size or force): invert_alpha = ImageOps.invert(get_alpha(destination)) if invert_alpha.size != source.size: # if sizes are not the same be careful! # check the results visually if len(box) == 2: w, h = source.size box = (box[0], box[1], box[0] + w, box[1] + h) invert_alpha = invert_alpha.crop(box) else: invert_alpha = None # we don't want composite of the two alpha channels source_without_alpha = remove_alpha(source) # paste on top of the opaque destination pixels destination.paste(source_without_alpha, box, source) if invert_alpha != None: # the alpha channel is ok now, so save it destination_alpha = get_alpha(destination) # paste on top of the transparant destination pixels # the transparant pixels of the destination should # be filled with the color information from the source destination.paste(source_without_alpha, box, invert_alpha) # restore the correct alpha channel destination.putalpha(destination_alpha) else: destination.paste(source, box) elif mask: destination.paste(source, box, mask) else: destination.paste(source, box) if force and has_alpha(source): destination_alpha = get_alpha(destination) source_alpha = get_alpha(source) destination_alpha.paste(source_alpha, box) destination.putalpha(destination_alpha) def auto_crop(image): """Crops all transparent or black background from the image :param image: input image :type image: PIL image object :returns: the cropped image :rtype: PIL image object """ alpha = get_alpha(image) box = alpha.getbbox() return convert_safe_mode(image).crop(box) def convert(image, mode, *args, **keyw): """Returns a converted copy of an image :param image: input image :type image: PIL image object :param mode: the new mode :type mode: string :param args: extra options :type args: tuple of values :param keyw: extra keyword options :type keyw: dictionary of options :returns: the converted image :rtype: PIL image object """ if mode == 'P': if image.mode == 'P': return image if image.mode in ['1', 'F']: return image.convert('L').convert(mode, *args, **keyw) if image.mode in ['RGBA', 'LA']: alpha = get_alpha(image) output = image.convert('RGB').convert( mode, colors=255, *args, **keyw) paste(output, 255, alpha.point(COLOR_MAP)) output.info['transparency'] = 255 return output return image.convert('RGB').convert(mode, *args, **keyw) if image.mode == 'P' and mode == 'LA': # A workaround for a PIL bug. # Converting from P to LA directly doesn't work. return image.convert('RGBA').convert('LA', *args, **keyw) if has_transparency(image) and (not mode in ['RGBA', 'LA']): if image.mode == 'P': image = image.convert('RGBA') del image.info['transparency'] #image = fill_background_color(image, (255, 255, 255, 255)) image = image.convert(mode, *args, **keyw) return image return image.convert(mode, *args, **keyw) def convert_safe_mode(image): """Converts image into a processing-safe mode. :param image: input image :type image: PIL image object :returns: the converted image :rtype: PIL image object """ if image.mode in ['1', 'F']: return image.convert('L') if image.mode == 'P' and 'transparency' in image.info: img = image.convert('RGBA') del img.info['transparency'] return img if image.mode in ['P', 'YCbCr', 'CMYK', 'RGBX']: return image.convert('RGB') return image def convert_save_mode_by_format(image, format): """Converts image into a saving-safe mode. :param image: input image :type image: PIL image object :param format: target format :type format: string :returns: the converted image :rtype: PIL image object """ #TODO: Extend this helper function to support other formats as well if image.mode == 'P': # Make sure P is handled correctly if not format in ['GIF', 'PNG', 'TIFF', 'IM', 'PCX']: image = remove_alpha(image) if format == 'JPEG': if image.mode in ['RGBA', 'P']: return image.convert('RGB') if image.mode in ['LA']: return image.convert('L') elif format == 'BMP': if image.mode in ['LA']: return image.convert('L') if image.mode in ['P', 'RGBA', 'YCbCr', 'CMYK']: return image.convert('RGB') elif format == 'DIB': if image.mode in ['YCbCr', 'CMYK']: return image.convert('RGB') elif format == 'EPS': if image.mode in ['1', 'LA']: return image.convert('L') if image.mode in ['P', 'RGBA', 'YCbCr']: return image.convert('RGB') elif format == 'GIF': return convert(image, 'P', palette=Image.ADAPTIVE) elif format == 'PBM': if image.mode != '1': return image.convert('1') elif format == 'PCX': if image.mode in ['RGBA', 'CMYK', 'YCbCr']: return image.convert('RGB') if image.mode in ['LA', '1']: return image.convert('L') elif format == 'PDF': if image.mode in ['LA']: return image.convert('L') if image.mode in ['RGBA', 'YCbCr']: return image.convert('RGB') elif format == 'PGM': if image.mode != 'L': return image.convert('L') elif format == 'PPM': if image.mode in ['P', 'CMYK', 'YCbCr']: return image.convert('RGB') if image.mode in ['LA']: return image.convert('L') elif format == 'PS': if image.mode in ['1', 'LA']: return image.convert('L') if image.mode in ['P', 'RGBA', 'YCbCr']: return image.convert('RGB') elif format == 'XBM': if not image.mode in ['1']: return image.convert('1') elif format == 'TIFF': if image.mode in ['YCbCr']: return image.convert('RGB') elif format == 'PNG': if image.mode in ['CMYK', 'YCbCr']: return image.convert('RGB') #for consistency return a copy! (thumbnail.py depends on it) return image.copy() def save_check_mode(image, filename, **options): #save image with pil save(image, filename, **options) #verify saved file try: image_file = Image.open(filename) image_file.verify() except IOError: # We can't verify the image mode with PIL, so issue no warnings. return '' if image.mode != image_file.mode: return image_file.mode return '' def save_safely(image, filename): """Saves an image with a filename and raise the specific ``InvalidWriteFormatError`` in case of an error instead of a ``KeyError``. It can also save IM files with unicode. :param image: image :type image: pil.Image :param filename: image filename :type filename: string """ ext = os.path.splitext(filename)[-1] format = get_format(ext[1:]) image = convert_save_mode_by_format(image, format) save(image, filename) def get_reverse_transposition(transposition): """Get the reverse transposition method. :param transposition: transpostion, e.g. ``Image.ROTATE_90`` :returns: inverse transpostion, e.g. ``Image.ROTATE_270`` """ if transposition == Image.ROTATE_90: return Image.ROTATE_270 elif transposition == Image.ROTATE_270: return Image.ROTATE_90 return transposition def get_exif_transposition(orientation): """Get the transposition methods necessary to aling the image to its exif orientation. :param orientation: exif orientation :type orientation: int :returns: (transposition methods, reverse transpostion methods) :rtype: tuple """ #see EXIF.py if orientation == 1: transposition = transposition_reverse = () elif orientation == 2: transposition = Image.FLIP_LEFT_RIGHT, transposition_reverse = Image.FLIP_LEFT_RIGHT, elif orientation == 3: transposition = Image.ROTATE_180, transposition_reverse = Image.ROTATE_180, elif orientation == 4: transposition = Image.FLIP_TOP_BOTTOM, transposition_reverse = Image.FLIP_TOP_BOTTOM, elif orientation == 5: transposition = Image.FLIP_LEFT_RIGHT, \ Image.ROTATE_90 transposition_reverse = Image.ROTATE_270, \ Image.FLIP_LEFT_RIGHT elif orientation == 6: transposition = Image.ROTATE_270, transposition_reverse = Image.ROTATE_90, elif orientation == 7: transposition = Image.FLIP_LEFT_RIGHT, \ Image.ROTATE_270 transposition_reverse = Image.ROTATE_90, \ Image.FLIP_LEFT_RIGHT elif orientation == 8: transposition = Image.ROTATE_90, transposition_reverse = Image.ROTATE_270, else: transposition = transposition_reverse = () return transposition, transposition_reverse def get_exif_orientation(image): """Gets the exif orientation of an image. :param image: image :type image: pil.Image :returns: orientation :rtype: int """ if not hasattr(image, '_getexif'): return 1 try: _exif = image._getexif() if not _exif: return 1 return _exif[0x0112] except KeyError: return 1 def transpose(image, methods): """Transpose with a sequence of transformations, mainly useful for exif. :param image: image :type image: pil.Image :param methods: transposition methods :type methods: list :returns: transposed image :rtype: pil.Image """ for method in methods: image = image.transpose(method) return image def transpose_exif(image, reverse=False): """Transpose an image to its exif orientation. :param image: image :type image: pil.Image :param reverse: False when opening, True when saving :type reverse: bool :returns: transposed image :rtype: pil.Image """ orientation = get_exif_orientation(image) transposition = get_exif_transposition(orientation)[int(reverse)] if transposition: return transpose(image, transposition) return image def checkboard(size, delta=8, fg=(128, 128, 128), bg=(204, 204, 204)): """Draw an n x n checkboard, which is often used as background for transparent images. The checkboards are stored in the ``CHECKBOARD`` cache. :param delta: dimension of one square :type delta: int :param fg: foreground color :type fg: tuple of int :param bg: background color :type bg: tuple of int :returns: checkboard image :rtype: pil.Image """ if not (size in CHECKBOARD): dim = max(size) n = int(dim / delta) + 1 # FIXME: now acts like square->nx, ny def sq_start(i): "Return the x/y start coord of the square at column/row i." return i * delta def square(i, j): "Return the square corners" return map(sq_start, [i, j, i + 1, j + 1]) image = Image.new("RGB", size, bg) draw_square = ImageDraw.Draw(image).rectangle squares = (square(i, j) for i_start, j in zip(cycle((0, 1)), range(n)) for i in range(i_start, n, 2)) for sq in squares: draw_square(sq, fill=fg) CHECKBOARD[size] = image return CHECKBOARD[size].copy() def add_checkboard(image): """"If the image has a transparent mask, a RGB checkerboard will be drawn in the background. .. note:: In case of a thumbnail, the resulting image can not be used for the cache, as it replaces the transparency layer with a non transparent checkboard. :param image: image :type image: pil.Image :returns: image, with checkboard if transparant :rtype: pil.Image """ if (image.mode == 'P' and 'transparency' in image.info) or\ image.mode.endswith('A'): #transparant image image = image.convert('RGBA') image_bg = checkboard(image.size) paste(image_bg, image, (0, 0), image) return image_bg else: return image
Cobinja/Cinnamon
files/usr/share/cinnamon/cinnamon-settings/bin/imtools.py
Python
gpl-2.0
40,072
[ "Gaussian" ]
9277dea7c3d650f5fc230000313265ce899f8205bb4f88a9d174f3670032ad20
from pymol.wizard import Wizard from pymol import cmd import pymol import types import string class Renaming(Wizard): def __init__(self,old_name,mode='object',_self=cmd): Wizard.__init__(self,_self) self.prefix = 'Renaming \\999%s\\--- to: \\999'%old_name self.old_name = old_name self.new_name = old_name self.mode = mode def get_event_mask(self): return Wizard.event_mask_key def do_key(self,k,x,y,m): if k in [8,127]: self.new_name = self.new_name[:-1] elif k==27: cmd.set_wizard() cmd.refresh() elif k==32: self.new_name = self.new_name + "_" elif k>32: self.new_name= self.new_name + chr(k) elif k==10 or k==13: self.new_name = string.strip(self.new_name) if self.mode=='object': cmd.do("set_name %s,%s"% (self.old_name,self.new_name),log=0) elif self.mode=='scene': cmd.do("scene %s,rename,new_key=%s"% (self.old_name,self.new_name),log=0) cmd.set_wizard() cmd.refresh() return 1 cmd.refresh_wizard() return 1 def get_prompt(self): self.prompt = [ self.prefix + self.new_name + "_" ] return self.prompt def get_panel(self): return [ [ 1, 'Renaming', '' ], [ 2, 'Cancel', 'cmd.set_wizard()' ] ]
gratefulfrog/lib
python/pymol/wizard/renaming.py
Python
gpl-2.0
1,544
[ "PyMOL" ]
ccdb97ab7209ee2b2ae190abaa5e8bec734e73ec84272c2dc831d43d12831820
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2012 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 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/. ## import os from stoqlib.domain.test.domaintest import DomainTest from stoqlib.exporters.xlsexporter import XLSExporter from kiwi.ui.objectlist import ObjectList, Column class Fruit: def __init__(self, name, price): self.name = name self.price = price class XLSExporterTest(DomainTest): def test_export_from_object_list(self): fruits = ObjectList([Column('name', data_type=str), Column('price', data_type=int)]) for name, price in [('Apple', 4), ('Pineapple', 2), ('Kiwi', 8), ('Banana', 3), ('Melon', 5)]: fruits.append(Fruit(name, price)) ofx = XLSExporter() ofx.add_from_object_list(fruits) try: temp_file = ofx.save() data = open(temp_file.name).read() # We should use xlrd to 're-open' the spreadsheet and parse its content. self.assertTrue(len(data) > 0) finally: temp_file.close() os.unlink(temp_file.name)
tiagocardosos/stoq
stoqlib/lib/test/test_xlsexporter.py
Python
gpl-2.0
1,981
[ "VisIt" ]
f71c0f9cfca8765778b307420eecbc95cb4836e03be9b52efa1d230032caea8a
r"""OS routines for Mac, NT, or Posix depending on what system we're on. This exports: - all functions from posix, nt, os2, or ce, e.g. unlink, stat, etc. - os.path is one of the modules posixpath, or ntpath - os.name is 'posix', 'nt', 'os2', 'ce' or 'riscos' - os.curdir is a string representing the current directory ('.' or ':') - os.pardir is a string representing the parent directory ('..' or '::') - os.sep is the (or a most common) pathname separator ('/' or ':' or '\\') - os.extsep is the extension separator ('.' or '/') - os.altsep is the alternate pathname separator (None or '/') - os.pathsep is the component separator used in $PATH etc - os.linesep is the line separator in text files ('\r' or '\n' or '\r\n') - os.defpath is the default search path for executables - os.devnull is the file path of the null device ('/dev/null', etc.) Programs that import and use 'os' stand a better chance of being portable between different platforms. Of course, they must then only use functions that are defined by all platforms (e.g., unlink and opendir), and leave all pathname manipulation to os.path (e.g., split and join). """ #' import sys, errno _names = sys.builtin_module_names # Note: more names are added to __all__ later. __all__ = ["altsep", "curdir", "pardir", "sep", "extsep", "pathsep", "linesep", "defpath", "name", "path", "devnull", "SEEK_SET", "SEEK_CUR", "SEEK_END"] def _get_exports_list(module): try: return list(module.__all__) except AttributeError: return [n for n in dir(module) if n[0] != '_'] if 'posix' in _names: name = 'posix' linesep = '\n' from posix import * try: from posix import _exit except ImportError: pass import posixpath as path import posix __all__.extend(_get_exports_list(posix)) del posix elif 'nt' in _names: name = 'nt' linesep = '\r\n' from nt import * try: from nt import _exit except ImportError: pass import ntpath as path import nt __all__.extend(_get_exports_list(nt)) del nt elif 'os2' in _names: name = 'os2' linesep = '\r\n' from os2 import * try: from os2 import _exit except ImportError: pass if sys.version.find('EMX GCC') == -1: import ntpath as path else: import os2emxpath as path from _emx_link import link import os2 __all__.extend(_get_exports_list(os2)) del os2 elif 'ce' in _names: name = 'ce' linesep = '\r\n' from ce import * try: from ce import _exit except ImportError: pass # We can use the standard Windows path. import ntpath as path import ce __all__.extend(_get_exports_list(ce)) del ce elif 'riscos' in _names: name = 'riscos' linesep = '\n' from riscos import * try: from riscos import _exit except ImportError: pass import riscospath as path import riscos __all__.extend(_get_exports_list(riscos)) del riscos else: raise ImportError, 'no os specific module found' sys.modules['os.path'] = path from os.path import (curdir, pardir, sep, pathsep, defpath, extsep, altsep, devnull) del _names # Python uses fixed values for the SEEK_ constants; they are mapped # to native constants if necessary in posixmodule.c SEEK_SET = 0 SEEK_CUR = 1 SEEK_END = 2 #' # Super directory utilities. # (Inspired by Eric Raymond; the doc strings are mostly his) def makedirs(name, mode=0777): """makedirs(path [, mode=0777]) Super-mkdir; create a leaf directory and all intermediate ones. Works like mkdir, except that any intermediate path segment (not just the rightmost) will be created if it does not exist. This is recursive. """ head, tail = path.split(name) if not tail: head, tail = path.split(head) if head and tail and not path.exists(head): try: makedirs(head, mode) except OSError, e: # be happy if someone already created the path if e.errno != errno.EEXIST: raise if tail == curdir: # xxx/newdir/. exists if xxx/newdir exists return mkdir(name, mode) def removedirs(name): """removedirs(path) Super-rmdir; remove a leaf directory and all empty intermediate ones. Works like rmdir except that, if the leaf directory is successfully removed, directories corresponding to rightmost path segments will be pruned away until either the whole path is consumed or an error occurs. Errors during this latter phase are ignored -- they generally mean that a directory was not empty. """ rmdir(name) head, tail = path.split(name) if not tail: head, tail = path.split(head) while head and tail: try: rmdir(head) except error: break head, tail = path.split(head) def renames(old, new): """renames(old, new) Super-rename; create directories as necessary and delete any left empty. Works like rename, except creation of any intermediate directories needed to make the new pathname good is attempted first. After the rename, directories corresponding to rightmost path segments of the old name will be pruned way until either the whole path is consumed or a nonempty directory is found. Note: this function can fail with the new directory structure made if you lack permissions needed to unlink the leaf directory or file. """ head, tail = path.split(new) if head and tail and not path.exists(head): makedirs(head) rename(old, new) head, tail = path.split(old) if head and tail: try: removedirs(head) except error: pass __all__.extend(["makedirs", "removedirs", "renames"]) def walk(top, topdown=True, onerror=None, followlinks=False): """Directory tree generator. For each directory in the directory tree rooted at top (including top itself, but excluding '.' and '..'), yields a 3-tuple dirpath, dirnames, filenames dirpath is a string, the path to the directory. dirnames is a list of the names of the subdirectories in dirpath (excluding '.' and '..'). filenames is a list of the names of the non-directory files in dirpath. Note that the names in the lists are just names, with no path components. To get a full path (which begins with top) to a file or directory in dirpath, do os.path.join(dirpath, name). If optional arg 'topdown' is true or not specified, the triple for a directory is generated before the triples for any of its subdirectories (directories are generated top down). If topdown is false, the triple for a directory is generated after the triples for all of its subdirectories (directories are generated bottom up). When topdown is true, the caller can modify the dirnames list in-place (e.g., via del or slice assignment), and walk will only recurse into the subdirectories whose names remain in dirnames; this can be used to prune the search, or to impose a specific order of visiting. Modifying dirnames when topdown is false is ineffective, since the directories in dirnames have already been generated by the time dirnames itself is generated. By default errors from the os.listdir() call are ignored. If optional arg 'onerror' is specified, it should be a function; it will be called with one argument, an os.error instance. It can report the error to continue with the walk, or raise the exception to abort the walk. Note that the filename is available as the filename attribute of the exception object. By default, os.walk does not follow symbolic links to subdirectories on systems that support them. In order to get this functionality, set the optional argument 'followlinks' to true. Caution: if you pass a relative pathname for top, don't change the current working directory between resumptions of walk. walk never changes the current directory, and assumes that the client doesn't either. Example: import os from os.path import join, getsize for root, dirs, files in os.walk('python/Lib/email'): print root, "consumes", print sum([getsize(join(root, name)) for name in files]), print "bytes in", len(files), "non-directory files" if 'CVS' in dirs: dirs.remove('CVS') # don't visit CVS directories """ islink, join, isdir = path.islink, path.join, path.isdir # We may not have read permission for top, in which case we can't # get a list of the files the directory contains. os.path.walk # always suppressed the exception then, rather than blow up for a # minor reason when (say) a thousand readable directories are still # left to visit. That logic is copied here. try: # Note that listdir and error are globals in this module due # to earlier import-*. names = listdir(top) except error, err: if onerror is not None: onerror(err) return dirs, nondirs = [], [] for name in names: if isdir(join(top, name)): dirs.append(name) else: nondirs.append(name) if topdown: yield top, dirs, nondirs for name in dirs: new_path = join(top, name) if followlinks or not islink(new_path): for x in walk(new_path, topdown, onerror, followlinks): yield x if not topdown: yield top, dirs, nondirs __all__.append("walk") # Make sure os.environ exists, at least try: environ except NameError: environ = {} def execl(file, *args): """execl(file, *args) Execute the executable file with argument list args, replacing the current process. """ execv(file, args) def execle(file, *args): """execle(file, *args, env) Execute the executable file with argument list args and environment env, replacing the current process. """ env = args[-1] execve(file, args[:-1], env) def execlp(file, *args): """execlp(file, *args) Execute the executable file (which is searched for along $PATH) with argument list args, replacing the current process. """ execvp(file, args) def execlpe(file, *args): """execlpe(file, *args, env) Execute the executable file (which is searched for along $PATH) with argument list args and environment env, replacing the current process. """ env = args[-1] execvpe(file, args[:-1], env) def execvp(file, args): """execvp(file, args) Execute the executable file (which is searched for along $PATH) with argument list args, replacing the current process. args may be a list or tuple of strings. """ _execvpe(file, args) def execvpe(file, args, env): """execvpe(file, args, env) Execute the executable file (which is searched for along $PATH) with argument list args and environment env , replacing the current process. args may be a list or tuple of strings. """ _execvpe(file, args, env) __all__.extend(["execl","execle","execlp","execlpe","execvp","execvpe"]) def _execvpe(file, args, env=None): if env is not None: func = execve argrest = (args, env) else: func = execv argrest = (args,) env = environ head, tail = path.split(file) if head: func(file, *argrest) return if 'PATH' in env: envpath = env['PATH'] else: envpath = defpath PATH = envpath.split(pathsep) saved_exc = None saved_tb = None for dir in PATH: fullname = path.join(dir, file) try: func(fullname, *argrest) except error, e: tb = sys.exc_info()[2] if (e.errno != errno.ENOENT and e.errno != errno.ENOTDIR and saved_exc is None): saved_exc = e saved_tb = tb if saved_exc: raise error, saved_exc, saved_tb raise error, e, tb # Change environ to automatically call putenv() if it exists try: # This will fail if there's no putenv putenv except NameError: pass else: import UserDict # Fake unsetenv() for Windows # not sure about os2 here but # I'm guessing they are the same. if name in ('os2', 'nt'): def unsetenv(key): putenv(key, "") if name == "riscos": # On RISC OS, all env access goes through getenv and putenv from riscosenviron import _Environ elif name in ('os2', 'nt'): # Where Env Var Names Must Be UPPERCASE # But we store them as upper case class _Environ(UserDict.IterableUserDict): def __init__(self, environ): UserDict.UserDict.__init__(self) data = self.data for k, v in environ.items(): data[k.upper()] = v def __setitem__(self, key, item): putenv(key, item) self.data[key.upper()] = item def __getitem__(self, key): return self.data[key.upper()] try: unsetenv except NameError: def __delitem__(self, key): del self.data[key.upper()] else: def __delitem__(self, key): unsetenv(key) del self.data[key.upper()] def clear(self): for key in self.data.keys(): unsetenv(key) del self.data[key] def pop(self, key, *args): unsetenv(key) return self.data.pop(key.upper(), *args) def has_key(self, key): return key.upper() in self.data def __contains__(self, key): return key.upper() in self.data def get(self, key, failobj=None): return self.data.get(key.upper(), failobj) def update(self, dict=None, **kwargs): if dict: try: keys = dict.keys() except AttributeError: # List of (key, value) for k, v in dict: self[k] = v else: # got keys # cannot use items(), since mappings # may not have them. for k in keys: self[k] = dict[k] if kwargs: self.update(kwargs) def copy(self): return dict(self) else: # Where Env Var Names Can Be Mixed Case class _Environ(UserDict.IterableUserDict): def __init__(self, environ): UserDict.UserDict.__init__(self) self.data = environ def __setitem__(self, key, item): putenv(key, item) self.data[key] = item def update(self, dict=None, **kwargs): if dict: try: keys = dict.keys() except AttributeError: # List of (key, value) for k, v in dict: self[k] = v else: # got keys # cannot use items(), since mappings # may not have them. for k in keys: self[k] = dict[k] if kwargs: self.update(kwargs) try: unsetenv except NameError: pass else: def __delitem__(self, key): unsetenv(key) del self.data[key] def clear(self): for key in self.data.keys(): unsetenv(key) del self.data[key] def pop(self, key, *args): unsetenv(key) return self.data.pop(key, *args) def copy(self): return dict(self) environ = _Environ(environ) def getenv(key, default=None): """Get an environment variable, return None if it doesn't exist. The optional second argument can specify an alternate default.""" return environ.get(key, default) __all__.append("getenv") def _exists(name): return name in globals() # Supply spawn*() (probably only for Unix) if _exists("fork") and not _exists("spawnv") and _exists("execv"): P_WAIT = 0 P_NOWAIT = P_NOWAITO = 1 # XXX Should we support P_DETACH? I suppose it could fork()**2 # and close the std I/O streams. Also, P_OVERLAY is the same # as execv*()? def _spawnvef(mode, file, args, env, func): # Internal helper; func is the exec*() function to use pid = fork() if not pid: # Child try: if env is None: func(file, args) else: func(file, args, env) except: _exit(127) else: # Parent if mode == P_NOWAIT: return pid # Caller is responsible for waiting! while 1: wpid, sts = waitpid(pid, 0) if WIFSTOPPED(sts): continue elif WIFSIGNALED(sts): return -WTERMSIG(sts) elif WIFEXITED(sts): return WEXITSTATUS(sts) else: raise error, "Not stopped, signaled or exited???" def spawnv(mode, file, args): """spawnv(mode, file, args) -> integer Execute file with arguments from args in a subprocess. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ return _spawnvef(mode, file, args, None, execv) def spawnve(mode, file, args, env): """spawnve(mode, file, args, env) -> integer Execute file with arguments from args in a subprocess with the specified environment. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ return _spawnvef(mode, file, args, env, execve) # Note: spawnvp[e] is't currently supported on Windows def spawnvp(mode, file, args): """spawnvp(mode, file, args) -> integer Execute file (which is looked for along $PATH) with arguments from args in a subprocess. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ return _spawnvef(mode, file, args, None, execvp) def spawnvpe(mode, file, args, env): """spawnvpe(mode, file, args, env) -> integer Execute file (which is looked for along $PATH) with arguments from args in a subprocess with the supplied environment. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ return _spawnvef(mode, file, args, env, execvpe) if _exists("spawnv"): # These aren't supplied by the basic Windows code # but can be easily implemented in Python def spawnl(mode, file, *args): """spawnl(mode, file, *args) -> integer Execute file with arguments from args in a subprocess. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ return spawnv(mode, file, args) def spawnle(mode, file, *args): """spawnle(mode, file, *args, env) -> integer Execute file with arguments from args in a subprocess with the supplied environment. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ env = args[-1] return spawnve(mode, file, args[:-1], env) __all__.extend(["spawnv", "spawnve", "spawnl", "spawnle",]) if _exists("spawnvp"): # At the moment, Windows doesn't implement spawnvp[e], # so it won't have spawnlp[e] either. def spawnlp(mode, file, *args): """spawnlp(mode, file, *args) -> integer Execute file (which is looked for along $PATH) with arguments from args in a subprocess with the supplied environment. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ return spawnvp(mode, file, args) def spawnlpe(mode, file, *args): """spawnlpe(mode, file, *args, env) -> integer Execute file (which is looked for along $PATH) with arguments from args in a subprocess with the supplied environment. If mode == P_NOWAIT return the pid of the process. If mode == P_WAIT return the process's exit code if it exits normally; otherwise return -SIG, where SIG is the signal that killed it. """ env = args[-1] return spawnvpe(mode, file, args[:-1], env) __all__.extend(["spawnvp", "spawnvpe", "spawnlp", "spawnlpe",]) # Supply popen2 etc. (for Unix) if _exists("fork"): if not _exists("popen2"): def popen2(cmd, mode="t", bufsize=-1): """Execute the shell command 'cmd' in a sub-process. On UNIX, 'cmd' may be a sequence, in which case arguments will be passed directly to the program without shell intervention (as with os.spawnv()). If 'cmd' is a string it will be passed to the shell (as with os.system()). If 'bufsize' is specified, it sets the buffer size for the I/O pipes. The file objects (child_stdin, child_stdout) are returned.""" import warnings msg = "os.popen2 is deprecated. Use the subprocess module." warnings.warn(msg, DeprecationWarning, stacklevel=2) import subprocess PIPE = subprocess.PIPE p = subprocess.Popen(cmd, shell=isinstance(cmd, basestring), bufsize=bufsize, stdin=PIPE, stdout=PIPE, close_fds=True) return p.stdin, p.stdout __all__.append("popen2") if not _exists("popen3"): def popen3(cmd, mode="t", bufsize=-1): """Execute the shell command 'cmd' in a sub-process. On UNIX, 'cmd' may be a sequence, in which case arguments will be passed directly to the program without shell intervention (as with os.spawnv()). If 'cmd' is a string it will be passed to the shell (as with os.system()). If 'bufsize' is specified, it sets the buffer size for the I/O pipes. The file objects (child_stdin, child_stdout, child_stderr) are returned.""" import warnings msg = "os.popen3 is deprecated. Use the subprocess module." warnings.warn(msg, DeprecationWarning, stacklevel=2) import subprocess PIPE = subprocess.PIPE p = subprocess.Popen(cmd, shell=isinstance(cmd, basestring), bufsize=bufsize, stdin=PIPE, stdout=PIPE, stderr=PIPE, close_fds=True) return p.stdin, p.stdout, p.stderr __all__.append("popen3") if not _exists("popen4"): def popen4(cmd, mode="t", bufsize=-1): """Execute the shell command 'cmd' in a sub-process. On UNIX, 'cmd' may be a sequence, in which case arguments will be passed directly to the program without shell intervention (as with os.spawnv()). If 'cmd' is a string it will be passed to the shell (as with os.system()). If 'bufsize' is specified, it sets the buffer size for the I/O pipes. The file objects (child_stdin, child_stdout_stderr) are returned.""" import warnings msg = "os.popen4 is deprecated. Use the subprocess module." warnings.warn(msg, DeprecationWarning, stacklevel=2) import subprocess PIPE = subprocess.PIPE p = subprocess.Popen(cmd, shell=isinstance(cmd, basestring), bufsize=bufsize, stdin=PIPE, stdout=PIPE, stderr=subprocess.STDOUT, close_fds=True) return p.stdin, p.stdout __all__.append("popen4") import copy_reg as _copy_reg def _make_stat_result(tup, dict): return stat_result(tup, dict) def _pickle_stat_result(sr): (type, args) = sr.__reduce__() return (_make_stat_result, args) try: _copy_reg.pickle(stat_result, _pickle_stat_result, _make_stat_result) except NameError: # stat_result may not exist pass def _make_statvfs_result(tup, dict): return statvfs_result(tup, dict) def _pickle_statvfs_result(sr): (type, args) = sr.__reduce__() return (_make_statvfs_result, args) try: _copy_reg.pickle(statvfs_result, _pickle_statvfs_result, _make_statvfs_result) except NameError: # statvfs_result may not exist pass if not _exists("urandom"): def urandom(n): """urandom(n) -> str Return a string of n random bytes suitable for cryptographic use. """ try: _urandomfd = open("/dev/urandom", O_RDONLY) except (OSError, IOError): raise NotImplementedError("/dev/urandom (or equivalent) not found") try: bs = b"" while n > len(bs): bs += read(_urandomfd, n - len(bs)) finally: close(_urandomfd) return bs
aurofable/medhack-server
venv/lib/python2.7/os.py
Python
mit
26,300
[ "VisIt" ]
1516262162cb0023c1b944fd8259cbd2b75a6fe6616c3e5df19d35d577f0d72f
# Copyright (C) 2011 by Brandon Invergo (b.invergo@gmail.com) # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. import os import os.path from _paml import Paml, PamlError, _relpath import _parse_codeml #TODO - Restore use of with statement for closing handles automatically #after dropping Python 2.4 class CodemlError(EnvironmentError): """CODEML has failed. Run with verbose = True to view CODEML's error message""" class Codeml(Paml): """This class implements an interface to CODEML, part of the PAML package.""" def __init__(self, alignment = None, tree = None, working_dir = None, out_file = None): """Initialize the codeml instance. The user may optionally pass in strings specifying the locations of the input alignment and tree files, the working directory and the final output file. Other options found in the CODEML control have typical settings by default to run site class models 0, 1 and 2 on a nucleotide alignment. """ Paml.__init__(self, alignment, working_dir, out_file) if tree is not None: if not os.path.exists(tree): raise IOError, "The specified tree file does not exist." self.tree = tree self.ctl_file = "codeml.ctl" self._options = {"noisy": None, "verbose": None, "runmode": None, "seqtype": None, "CodonFreq": None, "ndata": None, "clock": None, "aaDist": None, "aaRatefile": None, "model": None, "NSsites": None, "icode": None, "Mgene": None, "fix_kappa": None, "kappa": None, "fix_omega": None, "omega": None, "fix_alpha": None, "alpha": None, "Malpha": None, "ncatG": None, "getSE": None, "RateAncestor": None, "Small_Diff": None, "cleandata": None, "fix_blength": None, "method": None} def write_ctl_file(self): """Dynamically build a CODEML control file from the options. The control file is written to the location specified by the ctl_file property of the codeml class. """ # Make sure all paths are relative to the working directory self._set_rel_paths() if True: #Dummy statement to preserve indentation for diff ctl_handle = open(self.ctl_file, 'w') ctl_handle.write("seqfile = %s\n" % self._rel_alignment) ctl_handle.write("outfile = %s\n" % self._rel_out_file) ctl_handle.write("treefile = %s\n" % self._rel_tree) for option in self._options.items(): if option[1] == None: # If an option has a value of None, there's no need # to write it in the control file; it's normally just # commented out. continue if option[0] == "NSsites": # NSsites is stored in Python as a list but in the # control file it is specified as a series of numbers # separated by spaces. NSsites = " ".join([str(site) for site in option[1]]) ctl_handle.write("%s = %s\n" % (option[0], NSsites)) else: ctl_handle.write("%s = %s\n" % (option[0], option[1])) ctl_handle.close() def read_ctl_file(self, ctl_file): """Parse a control file and load the options into the Codeml instance. """ temp_options = {} if not os.path.isfile(ctl_file): raise IOError("File not found: %r" % ctl_file) else: ctl_handle = open(ctl_file) for line in ctl_handle: line = line.strip() uncommented = line.split("*",1)[0] if uncommented != "": if "=" not in uncommented: ctl_handle.close() raise AttributeError, \ "Malformed line in control file:\n%r" % line (option, value) = uncommented.split("=") option = option.strip() value = value.strip() if option == "seqfile": self.alignment = value elif option == "treefile": self.tree = value elif option == "outfile": self.out_file = value elif option == "NSsites": site_classes = value.split(" ") for n in range(len(site_classes)): try: site_classes[n] = int(site_classes[n]) except: ctl_handle.close() raise TypeError, \ "Invalid site class: %s" % site_classes[n] temp_options["NSsites"] = site_classes elif option not in self._options: ctl_handle.close() raise KeyError, "Invalid option: %s" % option else: if "." in value: try: converted_value = float(value) except: converted_value = value else: try: converted_value = int(value) except: converted_value = value temp_options[option] = converted_value ctl_handle.close() for option in self._options.keys(): if option in temp_options.keys(): self._options[option] = temp_options[option] else: self._options[option] = None def print_options(self): """Print out all of the options and their current settings.""" for option in self._options.items(): if option[0] == "NSsites" and option[1] is not None: # NSsites is stored in Python as a list but in the # control file it is specified as a series of numbers # separated by spaces. NSsites = " ".join([str(site) for site in option[1]]) print "%s = %s" % (option[0], NSsites) else: print "%s = %s" % (option[0], option[1]) def _set_rel_paths(self): """Convert all file/directory locations to paths relative to the current working directory. CODEML requires that all paths specified in the control file be relative to the directory from which it is called rather than absolute paths. """ Paml._set_rel_paths(self) if self.tree is not None: self._rel_tree = _relpath(self.tree, self.working_dir) def run(self, ctl_file = None, verbose = False, command = "codeml", parse = True): """Run codeml using the current configuration and then parse the results. Return a process signal so the user can determine if the execution was successful (return code 0 is successful, -N indicates a failure). The arguments may be passed as either absolute or relative paths, despite the fact that CODEML requires relative paths. """ if self.tree is None: raise ValueError, "Tree file not specified." if not os.path.exists(self.tree): raise IOError, "The specified tree file does not exist." Paml.run(self, ctl_file, verbose, command) if parse: results = read(self.out_file) else: results = None return results def read(results_file): """Parse a CODEML results file.""" results = {} if not os.path.exists(results_file): raise IOError, "Results file does not exist." handle = open(results_file) lines = handle.readlines() handle.close() (results, multi_models) = _parse_codeml.parse_basics(lines, results) results = _parse_codeml.parse_nssites(lines, results, multi_models) results = _parse_codeml.parse_pairwise(lines, results) results = _parse_codeml.parse_distances(lines, results) if len(results) == 0: raise ValueError, "Invalid results file" return results
asherkhb/coge
bin/last_wrapper/Bio/Phylo/PAML/codeml.py
Python
bsd-2-clause
9,214
[ "Biopython" ]
fc10069f0e654f20f1d4157f949e8ff62a0757f09feb9b81dee41eee19645a29
# # @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 absolute_import from math import sqrt, pi import numpy as np from psi4 import core from psi4.driver import constants from psi4.driver.p4util.exceptions import * def least_squares_fit_polynomial(xvals, fvals, localization_point, no_factorials=True, weighted=True, polynomial_order=4): """Performs and unweighted least squares fit of a polynomial, with specified order to an array of input function values (fvals) evaluated at given locations (xvals). See http://dx.doi.org/10.1063/1.4862157, particularly eqn (7) for details. """ xpts = np.array(xvals) - localization_point if weighted: R = 1.0 p_nu = 1 epsilon = 1e-3 zvals = np.square(xpts/R) weights = np.exp(-zvals) / (zvals**p_nu + epsilon**p_nu) else: weights = None fit = np.polynomial.polynomial.polyfit(xpts, fvals, polynomial_order, w=weights) # Remove the 1/n! coefficients if no_factorials: scalefac = 1.0 for n in range(2,polynomial_order+1): scalefac *= n fit[n] *= scalefac return fit def anharmonicity(rvals, energies, plot_fit='', mol = None): """Generates spectroscopic constants for a diatomic molecules. Fits a diatomic potential energy curve using a weighted least squares approach (c.f. http://dx.doi.org/10.1063/1.4862157, particularly eqn. 7), locates the minimum energy point, and then applies second order vibrational perturbation theory to obtain spectroscopic constants. Any number of points greater than 4 may be provided, and they should bracket the minimum. The data need not be evenly spaced, and can be provided in any order. The data are weighted such that those closest to the minimum have highest impact. A dictionary with the following keys, which correspond to spectroscopic constants, is returned: :type rvals: list :param rvals: The bond lengths (in Angstrom) for which energies are provided, of length at least 5 and equal to the length of the energies array :type energies: list :param energies: The energies (Eh) computed at the bond lengths in the rvals list :type plot_fit: string :param plot_fit: A string describing where to save a plot of the harmonic and anharmonic fits, the inputted data points, re, r0 and the first few energy levels, if matplotlib is available. Set to 'screen' to generate an interactive plot on the screen instead. If a filename is provided, the image type is determined by the extension; see matplotlib for supported file types. :returns: (*dict*) Keys: "re", "r0", "we", "wexe", "nu", "ZPVE(harmonic)", "ZPVE(anharmonic)", "Be", "B0", "ae", "De" corresponding to the spectroscopic constants in cm-1 """ angstrom_to_bohr = 1.0 / constants.bohr2angstroms angstrom_to_meter = 10e-10; # Make sure the input is valid if len(rvals) != len(energies): raise ValidationError("The number of energies must match the number of distances") npoints = len(rvals) if npoints < 5: raise ValidationError("At least 5 data points must be provided to compute anharmonicity") core.print_out("\n\nPerforming a fit to %d data points\n" % npoints) # Make sure the molecule the user provided is the active one molecule = mol if mol is not None else core.get_active_molecule() molecule.update_geometry() natoms = molecule.natom() if natoms != 2: raise Exception("The current molecule must be a diatomic for this code to work!") m1 = molecule.mass(0) m2 = molecule.mass(1) # Optimize the geometry, refitting the surface around each new geometry core.print_out("\nOptimizing geometry based on current surface:\n\n"); re = np.mean(rvals) maxit = 30 thres = 1.0e-9 for i in range(maxit): derivs = least_squares_fit_polynomial(rvals,energies,localization_point=re) e,g,H = derivs[0:3] core.print_out(" E = %20.14f, x = %14.7f, grad = %20.14f\n" % (e, re, g)) if abs(g) < thres: break re -= g/H; if i == maxit-1: raise ConvergenceError("diatomic geometry optimization", maxit) core.print_out(" Final E = %20.14f, x = %14.7f, grad = %20.14f\n" % (e, re, g)); if re < min(rvals): raise Exception("Minimum energy point is outside range of points provided. Use a lower range of r values.") if re > max(rvals): raise Exception("Minimum energy point is outside range of points provided. Use a higher range of r values.") # Convert to convenient units, and compute spectroscopic constants d0,d1,d2,d3,d4 = derivs*constants.hartree2aJ core.print_out("\nEquilibrium Energy %20.14f Hartrees\n" % e) core.print_out("Gradient %20.14f\n" % g) core.print_out("Quadratic Force Constant %14.7f MDYNE/A\n" % d2) core.print_out("Cubic Force Constant %14.7f MDYNE/A**2\n" % d3) core.print_out("Quartic Force Constant %14.7f MDYNE/A**3\n" % d4) hbar = constants.h / (2.0 * pi) mu = ((m1*m2)/(m1+m2))*constants.amu2kg we = 5.3088375e-11*sqrt(d2/mu) wexe = (1.2415491e-6)*(we/d2)**2 * ((5.0*d3*d3)/(3.0*d2)-d4) # Rotational constant: Be I = ((m1*m2)/(m1+m2)) * constants.amu2kg * (re * angstrom_to_meter)**2 B = constants.h / (8.0 * pi**2 * constants.c * I) # alpha_e and quartic centrifugal distortion constant ae = -(6.0 * B**2 / we) * ((1.05052209e-3*we*d3)/(sqrt(B * d2**3))+1.0) de = 4.0*B**3 / we**2 # B0 and r0 (plus re check using Be) B0 = B - ae / 2.0 r0 = sqrt(constants.h / (8.0 * pi**2 * mu * constants.c * B0)) recheck = sqrt(constants.h / (8.0 * pi**2 * mu * constants.c * B)) r0 /= angstrom_to_meter; recheck /= angstrom_to_meter; # Fundamental frequency nu nu = we - 2.0 * wexe; zpve_nu = 0.5 * we - 0.25 * wexe; # Generate pretty pictures, if requested if(plot_fit): try: import matplotlib.pyplot as plt # Correct the derivatives for the missing factorial prefactors dvals = np.zeros(5) dvals[0:5] = derivs[0:5] dvals[2] /= 2 dvals[3] /= 6 dvals[4] /= 24 # Default plot range, before considering energy levels minE = np.min(energies) maxE = np.max(energies) minR = np.min(rvals) maxR = np.max(rvals) # Plot vibrational energy levels we_au = we / constants.hartree2wavenumbers wexe_au = wexe / constants.hartree2wavenumbers coefs2 = [ dvals[2], dvals[1], dvals[0] ] coefs4 = [ dvals[4], dvals[3], dvals[2], dvals[1], dvals[0] ] for n in range(3): Eharm = we_au*(n+0.5) Evpt2 = Eharm - wexe_au*(n+0.5)**2 coefs2[-1] = -Eharm coefs4[-1] = -Evpt2 roots2 = np.roots(coefs2) roots4 = np.roots(coefs4) xvals2 = roots2 + re xvals4 = np.choose(np.where(np.isreal(roots4)), roots4)[0].real + re Eharm += dvals[0] Evpt2 += dvals[0] plt.plot(xvals2, [Eharm, Eharm], 'b', linewidth=1) plt.plot(xvals4, [Evpt2, Evpt2], 'g', linewidth=1) maxE = Eharm maxR = np.max([xvals2,xvals4]) minR = np.min([xvals2,xvals4]) # Find ranges for the plot dE = maxE - minE minE -= 0.2*dE maxE += 0.4*dE dR = maxR - minR minR -= 0.2*dR maxR += 0.2*dR # Generate the fitted PES xpts = np.linspace(minR, maxR, 1000) xrel = xpts-re xpows = xrel[:,np.newaxis] ** range(5) fit2 = np.einsum('xd,d', xpows[:,0:3], dvals[0:3]) fit4 = np.einsum('xd,d', xpows, dvals) # Make / display the plot plt.plot(xpts, fit2, 'b', linewidth=2.5, label='Harmonic (quadratic) fit') plt.plot(xpts, fit4, 'g', linewidth=2.5, label='Anharmonic (quartic) fit') plt.plot([re, re], [minE, maxE], 'b--', linewidth=0.5) plt.plot([r0, r0], [minE, maxE], 'g--', linewidth=0.5) plt.scatter(rvals, energies, c='Black', linewidth=3, label='Input Data') plt.legend() plt.xlabel('Bond length (Angstroms)') plt.ylabel('Energy (Eh)') plt.xlim(minR, maxR) plt.ylim(minE, maxE) if plot_fit == 'screen': plt.show() else: plt.savefig(plot_fit) core.print_out("\n\tPES fit saved to %s.\n\n" % plot_fit) except ImportError: msg = "\n\tPlot not generated; matplotlib is not installed on this machine.\n\n" print(msg) core.print_out(msg) core.print_out("\nre = %10.6f A check: %10.6f\n" % (re, recheck)) core.print_out("r0 = %10.6f A\n" % r0) core.print_out("we = %10.4f cm-1\n" % we) core.print_out("wexe = %10.4f cm-1\n" % wexe) core.print_out("nu = %10.4f cm-1\n" % nu) core.print_out("ZPVE(nu) = %10.4f cm-1\n" % zpve_nu) core.print_out("Be = %10.4f cm-1\n" % B) core.print_out("B0 = %10.4f cm-1\n" % B0) core.print_out("ae = %10.4f cm-1\n" % ae) core.print_out("De = %10.7f cm-1\n" % de) results = { "re" : re, "r0" : r0, "we" : we, "wexe" : wexe, "nu" : nu, "ZPVE(harmonic)" : zpve_nu, "ZPVE(anharmonic)" : zpve_nu, "Be" : B, "B0" : B0, "ae" : ae, "De" : de } return results
rmcgibbo/psi4public
psi4/driver/diatomic.py
Python
lgpl-3.0
10,978
[ "Psi4" ]
f83cf68e0eaa722564f91828ecc276bcc1330f0a695f4df0ce52be6545fced64
import re from distutils.core import setup def get_version_string(): version_file = "vqsr_cnn/_version.py" version_str_line = open(version_file, "rt").read() version_regexp = r"^__version__ = ['\"]([^'\"]*)['\"]" re_out = re.search(version_regexp, version_str_line, re.M) if re_out is not None: return re_out.group(1) else: raise RuntimeError("Unable to find version string in %s." % (version_file,)) setup(name='vqsr_cnn', version=get_version_string(), description='Variant quality score recalibration with Convolutional Neural Networks', author='Sam Friedman', author_email='sam@broadinstitute.org', license='LICENSE.txt', packages=['vqsr_cnn'], install_requires=[ "keras >= 2.0", "numpy >= 1.13.1", "scipy >= 0.19.1", "pysam >= 0.13", "scikit-learn >= 0.19.1", "matplotlib >= 2.1.2", "pyvcf >= 0.6.8", "biopython >= 1.70" ] )
magicDGS/gatk
src/main/python/org/broadinstitute/hellbender/setup_vqsr_cnn.py
Python
bsd-3-clause
999
[ "Biopython", "pysam" ]
a39c152f5ff0d22d436b0190b240f2bfb35ea54b994f62fafc9ddcc72af28590
from build.management.commands.base_build import Command as BaseBuild from django.conf import settings from protein.models import Protein, ProteinSegment, ProteinConformation, ProteinState from structure.models import Structure, Rotamer from structure.functions import BlastSearch from Bio.Blast import NCBIXML, NCBIWWW from Bio import pairwise2 import subprocess, shlex, os class Command(BaseBuild): help = 'Blastp search custom dbs' def add_arguments(self, parser): super(Command, self).add_arguments(parser=parser) parser.add_argument('-p1', help='Entry name or sequence of protein 1', default=False, type=str) parser.add_argument('-p2', help='Entry name or sequence of protein 2', default=False, type=str) def handle(self, *args, **options): p1 = Protein.objects.filter(entry_name=options['p1']) if len(p1)==0: seq1 = options['p1'] else: seq1 = p1[0].sequence p2 = Protein.objects.filter(entry_name=options['p2']) if len(p2)==0: seq2 = options['p2'] else: seq2 = p2[0].sequence pw2 = pairwise2.align.localms(seq1, seq2, 3, -4, -3, -1) ref_seq, temp_seq = str(pw2[0][0]), str(pw2[0][1]) for r,t in zip(ref_seq,temp_seq): print(r,t)
protwis/protwis
protein/management/commands/pairwise.py
Python
apache-2.0
1,185
[ "BLAST" ]
a230c68e510d232084d142b54608603e76480b48e4ab475b9f6e473c77b7bdc4
import android, sys, threading, time def set_parse_options(): parser = OptionParser() parser.add_option("-a", "--adb_lport", dest="adb_lport", type="int", help="local port that adb will forward too") parser.add_option("-b", "--adb_rport", dest="adb_rport", type="int", help="remote port that adb will forward too") parser.add_option("-s", "--socat_port", dest="stcp_port", type="int", help="port socat will recieve and forward the data to the serial port") parser.add_option("-t", "--serial_name", dest="serialp_name", type="string", help="port socat will recieve and forward the data to the serial port") parser.set_defaults(adb_lport = None, adb_rport = None, stcp_port = None, serialp_name = None) return parser def get_checksum(sentence): Checksum = 0 for char in sentence: if char == '$': continue elif char == '*': break else: if Checksum == 0: Checksum = ord(char) else: Checksum = Checksum ^ ord(char) return "%x"%Checksum def convert_DMlongitude_to_NMEA(result): longitude = result['longitude'] hemi = "E" if longitude < 0: hemi = "W" return str(abs(longitude)*100)+","+hemi def convert_DMlatitude_to_NMEA(result): latitude = result['latitude'] hemi = "N" if latitude < 0: hemi = "S" return str(abs(longitude)*100)+","+hemi def create_gpgll_sentence(result): gll = "$GPGLL," gll+= convert_latitude_to_NMEA(result) gll+= convert_longitude_to_NMEA(result) gll+= ","+str(result['time']) gll+= ",A,*" gll+= get_checksum(gll) return gll+"\r\n" def init_android_instance(port, accuracy="fine", minUpdateTimeMs=3000,minDistanceM=3): port = int(port) d = android.Android(("localhost", port)) d.startLocating(accuracy,minUpdateTimeMs,minDistanceM) return d def run_cmd(cmd_str): x = Popen(cmd_str.split(), stdout=PIPE ) return x.stdout.read() socat_cmd_str = "socat -d -d tcp:localhost:%d pty,link=/dev/%s,raw,echo=0" if __name__ == "__main__": parser = set_parser_options() (options, args) = parser.parse_args() if options.adb_lport is None or\ options.adb_rport is None or\ options.stcp_port is None or\ options.serialp_name is None: parser.print_help() sys.exit(-1) adb_cmd = "adb forward tcp:%u tcp:%u"%(options.adb_lport, options.adb_rport) #init adb print ("Setting up adb for Python and ASE interation: %s"%adb_cmd) run_cmd(adb_cmd) # start socat in a separate thread socat_cmd = socat_cmd_str%(options.stcp_port,options.serialp_name) print("Starting socat with the following command: %s"%socat_cmd) socat_thread = threading.Thread(None, run_cmd, None, (socat_cmd,)) # connect our socket to the virtual serial port socat_socket = socket() socat_socket.connect(("localhost",options.stcp_port)) # init the android ASE interface, and # init location facade manager droid = init_android_instance(options.adb_lport) # Now lets rock and roll while 1: try: event = droid.receiveEvent() while not event.result is None and\ event.result['name'] != "location": event = droid.receiveEvent() nmea_sentence = create_gpgll_sentence(event.result) print("Posting the following NMEA Sentence: %s", nmea_sentence) socat_socket.send(nmea_sentence) except KeyboardInterrupt: print("Exitting the loop.") break except: print ("The following Exception Occurred %s"%str(sys.sys.exc_info()[0])) pass # dont bother stopping socat # when the script dies the thread will terminate
deeso/python_scrirpts
convert_android_result_to_gpgll.py
Python
apache-2.0
3,598
[ "ASE" ]
bafcfd43fe86764babf655f2169c01bb5ccf80ff620a8c4bb67ff4333db48414
# AUTHOR: Diego Paris drp2121@columbia.edu import os from Bio.Blast import NCBIXML as xmlparse # searchSpecies must be a string, the name of the species being searched for as reported by the classifier # xmls must be an array of absolute file paths to .xmls # speciesDict must be the output of the xmls having been run through the classifier with mode 1 # Returns dictionary with confusion matrix titles (strings) as keys # number of files in each category as values def getConfusionMatrix(searchSpecies, xmls, speciesDict) : # Dictionary for containing top hits from xmls topSpecies = {} for xmlfile in xmls: # Open xmls and parse xmlhandle = open(xmlfile) blast_recs = xmlparse.parse(xmlhandle) # Iterate through blast recs for blast_rec in blast_recs: # Get top hit (maximum confidence alignment as reported by blast) if len(blast_rec.alignments) > 0: tophit = blast_rec.alignments[0] # Extract species name description = tophit.hit_def description = str(description).split("|") names = description[len(description)-1] names = names.split(",")[0] names = names.split() # Correct for known typos/inconsistencies in dataset if ":" in names[0] : names.pop(0) if names[0] == "Pig" : name = "Sus scrofa" elif names[0] == "Atlantic" : name = "Salmo salar" elif names[0] == "Altantic" : name = "Salmo salar" elif names[0] == "Zebrafish" : name = "Danio rerio" else : name = names[0] + " " + names[1] # Add values to dictionary if name in topSpecies: if xmlfile not in topSpecies[name]: topSpecies[name].append(xmlfile) if name not in topSpecies: topSpecies[name] = [xmlfile] # Dictionary for each sample's classifier output and top hit from BLAST tuplesDict = {} # Loading dictionary. Note: files unaligned by for species in speciesDict: for sample in speciesDict[species]: if species == "Unaligned" : pass else : tuplesDict[sample] = [species] for species in topSpecies: for sample in topSpecies[species]: tuplesDict[sample].append(species) # Labels for confusion matrix TP = "Is " + searchSpecies + " in both BLAST and our classifier" TN = "Is not " + searchSpecies + " in both BLAST and our classifier" FP = "Is " + searchSpecies + " in BLAST but not our classifier" FN = "Is not " + searchSpecies + " in BLAST but is in our classifier" # Initializing confusion matrix confusionMatrix = dict.fromkeys([TP, TN,FP,FN], 0) # Load confusion matrix for sample in tuplesDict: if tuplesDict[sample][0] == searchSpecies: if tuplesDict[sample][1] == searchSpecies: confusionMatrix[TP] += 1 else: confusionMatrix[FN] += 1 else: if tuplesDict[sample][1] == searchSpecies: confusionMatrix[FP] += 1 else: confusionMatrix[TN] += 1 return confusionMatrix
blt2114/gen_snacks
Assignment_2/question3_pt1/confusionMat.py
Python
gpl-2.0
2,828
[ "BLAST" ]
23c9e9b97bb1da846f1e2e57826542cc50c7d4db82071ffd0a83255d6793771c
import logging from ray.rllib.agents.trainer import with_common_config from ray.rllib.agents.dqn.dqn import GenericOffPolicyTrainer from ray.rllib.agents.ddpg.ddpg_tf_policy import DDPGTFPolicy logger = logging.getLogger(__name__) # yapf: disable # __sphinx_doc_begin__ DEFAULT_CONFIG = with_common_config({ # === Twin Delayed DDPG (TD3) and Soft Actor-Critic (SAC) tricks === # TD3: https://spinningup.openai.com/en/latest/algorithms/td3.html # In addition to settings below, you can use "exploration_noise_type" and # "exploration_gauss_act_noise" to get IID Gaussian exploration noise # instead of OU exploration noise. # twin Q-net "twin_q": False, # delayed policy update "policy_delay": 1, # target policy smoothing # (this also replaces OU exploration noise with IID Gaussian exploration # noise, for now) "smooth_target_policy": False, # gaussian stddev of target action noise for smoothing "target_noise": 0.2, # target noise limit (bound) "target_noise_clip": 0.5, # === Evaluation === # Evaluate with epsilon=0 every `evaluation_interval` training iterations. # The evaluation stats will be reported under the "evaluation" metric key. # Note that evaluation is currently not parallelized, and that for Ape-X # metrics are already only reported for the lowest epsilon workers. "evaluation_interval": None, # Number of episodes to run per evaluation period. "evaluation_num_episodes": 10, # === Model === # Apply a state preprocessor with spec given by the "model" config option # (like other RL algorithms). This is mostly useful if you have a weird # observation shape, like an image. Disabled by default. "use_state_preprocessor": False, # Postprocess the policy network model output with these hidden layers. If # use_state_preprocessor is False, then these will be the *only* hidden # layers in the network. "actor_hiddens": [400, 300], # Hidden layers activation of the postprocessing stage of the policy # network "actor_hidden_activation": "relu", # Postprocess the critic network model output with these hidden layers; # again, if use_state_preprocessor is True, then the state will be # preprocessed by the model specified with the "model" config option first. "critic_hiddens": [400, 300], # Hidden layers activation of the postprocessing state of the critic. "critic_hidden_activation": "relu", # N-step Q learning "n_step": 1, # === Exploration === "exploration_config": { # DDPG uses OrnsteinUhlenbeck (stateful) noise to be added to NN-output # actions (after a possible pure random phase of n timesteps). "type": "OrnsteinUhlenbeckNoise", # For how many timesteps should we return completely random actions, # before we start adding (scaled) noise? "random_timesteps": 1000, # The OU-base scaling factor to always apply to action-added noise. "ou_base_scale": 0.1, # The OU theta param. "ou_theta": 0.15, # The OU sigma param. "ou_sigma": 0.2, # The initial noise scaling factor. "initial_scale": 1.0, # The final noise scaling factor. "final_scale": 1.0, # Timesteps over which to anneal scale (from initial to final values). "scale_timesteps": 10000, }, # Number of env steps to optimize for before returning "timesteps_per_iteration": 1000, # Extra configuration that disables exploration. "evaluation_config": { "explore": False }, # === Replay buffer === # Size of the replay buffer. Note that if async_updates is set, then # each worker will have a replay buffer of this size. "buffer_size": 50000, # If True prioritized replay buffer will be used. "prioritized_replay": True, # Alpha parameter for prioritized replay buffer. "prioritized_replay_alpha": 0.6, # Beta parameter for sampling from prioritized replay buffer. "prioritized_replay_beta": 0.4, # Time steps over which the beta parameter is annealed. "prioritized_replay_beta_annealing_timesteps": 20000, # Final value of beta "final_prioritized_replay_beta": 0.4, # Epsilon to add to the TD errors when updating priorities. "prioritized_replay_eps": 1e-6, # Whether to LZ4 compress observations "compress_observations": False, # If set, this will fix the ratio of replayed from a buffer and learned on # timesteps to sampled from an environment and stored in the replay buffer # timesteps. Otherwise, the replay will proceed at the native ratio # determined by (train_batch_size / rollout_fragment_length). "training_intensity": None, # === Optimization === # Learning rate for the critic (Q-function) optimizer. "critic_lr": 1e-3, # Learning rate for the actor (policy) optimizer. "actor_lr": 1e-3, # Update the target network every `target_network_update_freq` steps. "target_network_update_freq": 0, # Update the target by \tau * policy + (1-\tau) * target_policy "tau": 0.002, # If True, use huber loss instead of squared loss for critic network # Conventionally, no need to clip gradients if using a huber loss "use_huber": False, # Threshold of a huber loss "huber_threshold": 1.0, # Weights for L2 regularization "l2_reg": 1e-6, # If not None, clip gradients during optimization at this value "grad_clip": None, # How many steps of the model to sample before learning starts. "learning_starts": 1500, # Update the replay buffer with this many samples at once. Note that this # setting applies per-worker if num_workers > 1. "rollout_fragment_length": 1, # Size of a batched sampled from replay buffer for training. Note that # if async_updates is set, then each worker returns gradients for a # batch of this size. "train_batch_size": 256, # === Parallelism === # Number of workers for collecting samples with. This only makes sense # to increase if your environment is particularly slow to sample, or if # you're using the Async or Ape-X optimizers. "num_workers": 0, # Whether to compute priorities on workers. "worker_side_prioritization": False, # Prevent iterations from going lower than this time span "min_iter_time_s": 1, }) # __sphinx_doc_end__ # yapf: enable def validate_config(config): if config["model"]["custom_model"]: logger.warning( "Setting use_state_preprocessor=True since a custom model " "was specified.") config["use_state_preprocessor"] = True if config["grad_clip"] is not None and config["grad_clip"] <= 0.0: raise ValueError("`grad_clip` value must be > 0.0!") if config["exploration_config"]["type"] == "ParameterNoise": if config["batch_mode"] != "complete_episodes": logger.warning( "ParameterNoise Exploration requires `batch_mode` to be " "'complete_episodes'. Setting batch_mode=complete_episodes.") config["batch_mode"] = "complete_episodes" def get_policy_class(config): if config["framework"] == "torch": from ray.rllib.agents.ddpg.ddpg_torch_policy import DDPGTorchPolicy return DDPGTorchPolicy else: return DDPGTFPolicy DDPGTrainer = GenericOffPolicyTrainer.with_updates( name="DDPG", default_config=DEFAULT_CONFIG, default_policy=DDPGTFPolicy, get_policy_class=get_policy_class, validate_config=validate_config, )
richardliaw/ray
rllib/agents/ddpg/ddpg.py
Python
apache-2.0
7,642
[ "Gaussian" ]
e7127c5702a063c17797469bfa6787ac144a1c250497f918de878df0269e771c
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import unicode_literals """ This module implements various transmuter classes. Transmuters are essentially classes that generate TransformedStructures from various data sources. They enable the high-throughput generation of new structures and input files. It also includes the helper function, batch_write_vasp_input to generate an entire directory of vasp input files for running. """ from six.moves import filter, map __author__ = "Shyue Ping Ong, Will Richards" __copyright__ = "Copyright 2012, The Materials Project" __version__ = "0.1" __maintainer__ = "Shyue Ping Ong" __email__ = "shyuep@gmail.com" __date__ = "Mar 4, 2012" import os import re from multiprocessing import Pool from pymatgen.alchemy.materials import TransformedStructure <<<<<<< HEAD ======= from pymatgen.io.vasp.sets import MPRelaxSet >>>>>>> a41cc069c865a5d0f35d0731f92c547467395b1b class StandardTransmuter(object): """ An example of a Transmuter object, which performs a sequence of transformations on many structures to generate TransformedStructures. .. attribute: transformed_structures List of all transformed structures. """ def __init__(self, transformed_structures, transformations=None, extend_collection=0, ncores=None): """ Initializes a transmuter from an initial list of :class:`pymatgen.alchemy.materials.TransformedStructure`. Args: transformed_structures ([TransformedStructure]): Input transformed structures transformations ([Transformations]): New transformations to be applied to all structures. extend_collection (int): Whether to use more than one output structure from one-to-many transformations. extend_collection can be an int, which determines the maximum branching for each transformation. ncores (int): Number of cores to use for applying transformations. Uses multiprocessing.Pool. Default is None, which implies serial. """ self.transformed_structures = transformed_structures self.ncores = ncores if transformations is not None: for trans in transformations: self.append_transformation(trans, extend_collection=extend_collection) def __getitem__(self, index): return self.transformed_structures[index] def __getattr__(self, name): return [getattr(x, name) for x in self.transformed_structures] def undo_last_change(self): """ Undo the last transformation in the TransformedStructure. Raises: IndexError if already at the oldest change. """ for x in self.transformed_structures: x.undo_last_change() def redo_next_change(self): """ Redo the last undone transformation in the TransformedStructure. Raises: IndexError if already at the latest change. """ for x in self.transformed_structures: x.redo_next_change() def __len__(self): return len(self.transformed_structures) def append_transformation(self, transformation, extend_collection=False, clear_redo=True): """ Appends a transformation to all TransformedStructures. Args: transformation: Transformation to append extend_collection: Whether to use more than one output structure from one-to-many transformations. extend_collection can be a number, which determines the maximum branching for each transformation. clear_redo (bool): Whether to clear the redo list. By default, this is True, meaning any appends clears the history of undoing. However, when using append_transformation to do a redo, the redo list should not be cleared to allow multiple redos. Returns: List of booleans corresponding to initial transformed structures each boolean describes whether the transformation altered the structure """ if self.ncores and transformation.use_multiprocessing: p = Pool(self.ncores) # need to condense arguments into single tuple to use map z = map( lambda x: (x, transformation, extend_collection, clear_redo), self.transformed_structures) new_tstructs = p.map(_apply_transformation, z, 1) self.transformed_structures = [] for ts in new_tstructs: self.transformed_structures.extend(ts) else: new_structures = [] for x in self.transformed_structures: new = x.append_transformation(transformation, extend_collection, clear_redo=clear_redo) if new is not None: new_structures.extend(new) self.transformed_structures.extend(new_structures) def extend_transformations(self, transformations): """ Extends a sequence of transformations to the TransformedStructure. Args: transformations: Sequence of Transformations """ for t in transformations: self.append_transformation(t) def apply_filter(self, structure_filter): """ Applies a structure_filter to the list of TransformedStructures in the transmuter. Args: structure_filter: StructureFilter to apply. """ def test_transformed_structure(ts): return structure_filter.test(ts.final_structure) self.transformed_structures = list(filter(test_transformed_structure, self.transformed_structures)) for ts in self.transformed_structures: ts.append_filter(structure_filter) <<<<<<< HEAD def write_vasp_input(self, vasp_input_set, output_dir, create_directory=True, subfolder=None, include_cif=False): ======= def write_vasp_input(self, **kwargs): >>>>>>> a41cc069c865a5d0f35d0731f92c547467395b1b """ Batch write vasp input for a sequence of transformed structures to output_dir, following the format output_dir/{formula}_{number}. Args: \\*\\*kwargs: All kwargs supported by batch_write_vasp_input. """ <<<<<<< HEAD batch_write_vasp_input(self.transformed_structures, vasp_input_set, output_dir, create_directory, subfolder, include_cif) ======= batch_write_vasp_input(self.transformed_structures, **kwargs) >>>>>>> a41cc069c865a5d0f35d0731f92c547467395b1b def set_parameter(self, key, value): """ Add parameters to the transmuter. Additional parameters are stored in the as_dict() output. Args: key: The key for the parameter. value: The value for the parameter. """ for x in self.transformed_structures: x.other_parameters[key] = value def add_tags(self, tags): """ Add tags for the structures generated by the transmuter. Args: tags: A sequence of tags. Note that this should be a sequence of strings, e.g., ["My awesome structures", "Project X"]. """ self.set_parameter("tags", tags) def __str__(self): output = ["Current structures", "------------"] for x in self.transformed_structures: output.append(str(x.final_structure)) return "\n".join(output) def append_transformed_structures(self, tstructs_or_transmuter): """ Method is overloaded to accept either a list of transformed structures or transmuter, it which case it appends the second transmuter"s structures. Args: tstructs_or_transmuter: A list of transformed structures or a transmuter. """ if isinstance(tstructs_or_transmuter, self.__class__): self.transformed_structures.extend(tstructs_or_transmuter .transformed_structures) else: for ts in tstructs_or_transmuter: assert isinstance(ts, TransformedStructure) self.transformed_structures.extend(tstructs_or_transmuter) @staticmethod def from_structures(structures, transformations=None, extend_collection=0): """ Alternative constructor from structures rather than TransformedStructures. Args: structures: Sequence of structures transformations: New transformations to be applied to all structures extend_collection: Whether to use more than one output structure from one-to-many transformations. extend_collection can be a number, which determines the maximum branching for each transformation. Returns: StandardTransmuter """ tstruct = [TransformedStructure(s, []) for s in structures] return StandardTransmuter(tstruct, transformations, extend_collection) class CifTransmuter(StandardTransmuter): """ Generates a Transmuter from a cif string, possibly containing multiple structures. """ def __init__(self, cif_string, transformations=None, primitive=True, extend_collection=False): """ Generates a Transmuter from a cif string, possibly containing multiple structures. Args: cif_string: A string containing a cif or a series of cifs transformations: New transformations to be applied to all structures primitive: Whether to generate the primitive cell from the cif. extend_collection: Whether to use more than one output structure from one-to-many transformations. extend_collection can be a number, which determines the maximum branching for each transformation. """ transformed_structures = [] lines = cif_string.split("\n") structure_data = [] read_data = False for line in lines: if re.match(r"^\s*data", line): structure_data.append([]) read_data = True if read_data: structure_data[-1].append(line) for data in structure_data: tstruct = TransformedStructure.from_cif_string("\n".join(data), [], primitive) transformed_structures.append(tstruct) super(CifTransmuter, self).__init__(transformed_structures, transformations, extend_collection) @staticmethod def from_filenames(filenames, transformations=None, primitive=True, extend_collection=False): """ Generates a TransformedStructureCollection from a cif, possibly containing multiple structures. Args: filenames: List of strings of the cif files transformations: New transformations to be applied to all structures primitive: Same meaning as in __init__. extend_collection: Same meaning as in __init__. """ allcifs = [] for fname in filenames: with open(fname, "r") as f: allcifs.append(f.read()) return CifTransmuter("\n".join(allcifs), transformations, primitive=primitive, extend_collection=extend_collection) class PoscarTransmuter(StandardTransmuter): """ Generates a transmuter from a sequence of POSCARs. Args: poscar_string: List of POSCAR strings transformations: New transformations to be applied to all structures. extend_collection: Whether to use more than one output structure from one-to-many transformations. """ def __init__(self, poscar_string, transformations=None, extend_collection=False): tstruct = TransformedStructure.from_poscar_string(poscar_string, []) super(PoscarTransmuter, self).__init__([tstruct], transformations, extend_collection=extend_collection) @staticmethod def from_filenames(poscar_filenames, transformations=None, extend_collection=False): """ Convenient constructor to generates a POSCAR transmuter from a list of POSCAR filenames. Args: poscar_filenames: List of POSCAR filenames transformations: New transformations to be applied to all structures. extend_collection: Same meaning as in __init__. """ tstructs = [] for filename in poscar_filenames: with open(filename, "r") as f: tstructs.append(TransformedStructure .from_poscar_string(f.read(), [])) return StandardTransmuter(tstructs, transformations, extend_collection=extend_collection) <<<<<<< HEAD def batch_write_vasp_input(transformed_structures, vasp_input_set, output_dir, create_directory=True, subfolder=None, include_cif=False): ======= def batch_write_vasp_input(transformed_structures, vasp_input_set=MPRelaxSet, output_dir=".", create_directory=True, subfolder=None, include_cif=False, **kwargs): >>>>>>> a41cc069c865a5d0f35d0731f92c547467395b1b """ Batch write vasp input for a sequence of transformed structures to output_dir, following the format output_dir/{group}/{formula}_{number}. Args: transformed_structures: Sequence of TransformedStructures. vasp_input_set: pymatgen.io.vaspio_set.VaspInputSet to creates vasp input files from structures. output_dir: Directory to output files create_directory (bool): Create the directory if not present. Defaults to True. subfolder: Function to create subdirectory name from transformed_structure. e.g., lambda x: x.other_parameters["tags"][0] to use the first tag. include_cif (bool): Boolean indication whether to output a CIF as well. CIF files are generally better supported in visualization programs. """ for i, s in enumerate(transformed_structures): formula = re.sub(r"\s+", "", s.final_structure.formula) if subfolder is not None: subdir = subfolder(s) dirname = os.path.join(output_dir, subdir, "{}_{}".format(formula, i)) else: dirname = os.path.join(output_dir, "{}_{}".format(formula, i)) s.write_vasp_input(vasp_input_set, dirname, <<<<<<< HEAD create_directory=create_directory) ======= create_directory=create_directory, **kwargs) >>>>>>> a41cc069c865a5d0f35d0731f92c547467395b1b if include_cif: from pymatgen.io.cif import CifWriter writer = CifWriter(s.final_structure) writer.write_file(os.path.join(dirname, "{}.cif".format(formula))) def _apply_transformation(inputs): """ Helper method for multiprocessing of apply_transformation. Must not be in the class so that it can be pickled. Args: inputs: Tuple containing the transformed structure, the transformation to be applied, a boolean indicating whether to extend the collection, and a boolean indicating whether to clear the redo Returns: List of output structures (the modified initial structure, plus any new structures created by a one-to-many transformation) """ ts, transformation, extend_collection, clear_redo = inputs new = ts.append_transformation(transformation, extend_collection, clear_redo=clear_redo) o = [ts] if new: o.extend(new) return o
Bismarrck/pymatgen
pymatgen/alchemy/transmuters.py
Python
mit
16,738
[ "VASP", "pymatgen" ]
1959a6bee3428b29125609a03ec3910d3a6c5921e20bac4443a45f33e319e9b7
#!/usr/bin/env python3 # -*- coding: utf-8 -*- # Airscript-ng - A script to conduct simple WiFi audits with ease. # Copyright (C) 2018 Yudhajit N. (Sh3llcod3) # # 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/> # Contact: Please create a issue on my GitHub <https://github.com/Sh3llcod3> # #Import standard modules import os import subprocess import time import sys import traceback import csv import sys import atexit #Import custom modules import modules import attacks #Add some aliases for commonly used functions ioStream = modules.ioStream bashRun = modules.bashRun bashReturnValue = modules.bashReturnValue clearTerm = modules.clearTerm col = modules.col #Script Version number scriptVersion = "1.9_build_date_08/12/2018" #Some variables which will find out some basic system info cpuModel = ioStream("cat /proc/cpuinfo | grep -i \"Model name\" | sort | uniq | awk -F ' ' {'print $4,$5,$6,$7,$8,$9,$10'}") userName = ioStream("uname -n") userDistro = ioStream("lsb_release -d | awk -F ':' {'print $2'} | tr -d \"\t\" ") userKernel = ioStream("uname -r") userArch = ioStream("uname -m") userArchDpkg = ioStream("dpkg --print-architecture 2>/dev/null").upper() invocationType = sys.argv[0] #Determines a few values, useful when the -v argument is used if invocationType.lower().startswith('./'): scriptInvocation = ('%s' %(sys.argv[0])) else: scriptInvocation = ('python3 %s' %(sys.argv[0])) #A quick check to determine if dependencies are installed def dependenciesInstalled(): if modules.quickCheckDepsInstalled(): return '{}Installed{}'.format(col.green,col.endl) else: return '{}Not installed{}'.format(col.red,col.endl) #The GPLv3+ exclusion of warranty. Just in case. def displayWarranty(): print(" %sAirscript-ng Copyright (C) 2017-2018 Sh3llcod3%s" %(col.red,col.endl)) print(" %sThis program comes with ABSOLUTELY NO WARRANTY; for details visit: https://goo.gl/W1jcr5.%s" %(col.red,col.endl)) print(" %sThis is free software, and you are welcome to redistribute it%s" %(col.red,col.endl)) print(" %sunder certain conditions; visit: https://goo.gl/FSy6nc for details.%s" %(col.red,col.endl)) print(" %sPlease follow all instructions that appear. Thanks for using this program.%s\n" %(col.red,col.endl)) #Create the functions class, where all the re-usable code for the main functions will reside class functions: #Exit the program after a functions has finshed running. def silentExit(): clearTerm() if modules.startNetworkManager(): bashRun("rm ./HANDSHAKES/TEMP_DUMP_* 2>/dev/null") print("\n[{}+{}] Detected network-manager as inactive," " restarted it.".format( col.green, col.endl)) print("[{}+{}] Internet connection may take up" " to 10 seconds to come back.\n".format( col.green, col.endl)) modules.normalQuit(0) #Give the user the option to quit or head to menu. def menuOrExit(): while True: modules.createNewLine() getUserChoice = input("[{0}+{2}] Head to [{1}m{2}]enu" " or [{1}q{2}]uit? m/q >> ".format( col.green, col.red, col.endl)).lower() if getUserChoice.startswith('m'): mainMenu() elif getUserChoice.startswith('q'): functions.silentExit() #Check for missing dependencies and if there are any, fetch them. def getDependencies(): print("{}[-] {}Checking for dependancies".format( col.yellow_deep, col.endl)) modules.checkDependencies() modules.gitDeps() print("{}[-] {}All dependancies are met." " Make sure you have correct drivers! {}".format( col.yellow_deep, col.pink, col.endl)) clearTerm() #Downloads and builds hashcat and hashcat-utils, which are needed for GPU based cracking. #Note: this doesn't install the Opencl-drivers, which still needs to be installed by hand. def hashcatDownloadFunction(): try: if not modules.connActive(): raise ConnectionError hashcatDownloader = attacks.capObj(col) hashcatDownloader.downloadHashcat() except(ConnectionError): clearTerm() modules.createNewLine() modules.printRed(col, "Internet connection not found!") finally: functions.menuOrExit() #This function used to add the Kali-Rolling repository to the apt lists, however it was too dangerous, so its has been deprecated and removed. #Why was it dangerous? Because it replaces Ubuntu's Coreutils with Kali's Coreutils,Display manager, and breaks GPU (OpenCL) drivers. #Your system will refuse to boot properly if kali tools aren't installed correctly. Use Katoolin if your're on Ubuntu >> https://goo.gl/rykBwg #This function switches the colors on/off in realtime, without changing programs or restarting. def switchColors(): clearTerm() global col if col == modules.col: col = modules.blank_col else: col = modules.col #This function simply performs a full-upgrade of all system packages from apt, a nice to have add-on. #It also pulls the latest version from GitHub as an added bonus. def updateAptPackagesFull(): functions.getDependencies() modules.createNewLine() if modules.yesNo("Run apt update and full-upgrade?", col): bashRun("apt update && apt full-upgrade -y" " && apt autoremove -y && apt autoclean") modules.createNewLine() modules.stashAndPullUpdate(col) #This will restore the /etc/apt/source.list file. It won't be needed as the option to append the kali sources has been removed. #This mainly concerns users who used a very early build of this program. This is here for compatibility reasons. def revertKaliSources(): clearTerm() if bashReturnValue("ls backup-repos") == '0': if not modules.pickYesOrNo("Restore sources.list", "Restore repository sources list?"): return None bashRun("cp backup-repos/sources.list /etc/apt/sources.list") modules.printSuccess(col,"Successfully reverted sources file back!") bashRun("apt update") printInfo(col,"If you don't see errors above then sources.list file is OK.") functions.menuOrExit() else: modules.printRed(col, "Backup file not found!") functions.menuOrExit() #This will help in displaying input prompts. def displayCurrentPlace(prompt,*args): currentPlace = col.endl + "|" + \ modules.returnRed(col,"MENU") BASH_PROMPT = modules.returnRed(col, " ~# ") for i in args: currentPlace += col.endl + "|" +\ modules.returnRed(col, i) currentPlace += col.endl + "|(" +\ modules.returnGreen(col, prompt) +\ ")" + BASH_PROMPT return currentPlace #A basic check to see if airscript-ng already exists in /usr/local/bin def checkExistingSymlink(): if bashReturnValue("ls /usr/local/bin/airscript-ng") == "0": return True else: return False #Install all dependencies from GitHub instead of git.kali.org #If dependencies are already built, remove and replace them. def fetchGitHubDeps(): clearTerm() try: modules.createNewLine() modules.printBlue(col, "This will clone aircrack-ng, reaver, pixiewps and mdk4 from GitHub.") modules.printBlue(col, "This is not normally required, as the script will automatically get") modules.printBlue(col, "any missing dependencies from git.kali.org. However, you can get them") modules.printBlue(col, "from GitHub instead of git.kali.org, if you want.") modules.createNewLine() modules.printYellow(col, "Warning: This may result in compatibility or instability issues!") modules.printYellow(col, "Warning: Compilation may take longer due to different procedures.") modules.createNewLine() if modules.yesNo("Confirm download from GitHub?", col): modules.cloneAircrackGitHub() modules.cloneReaverGitHub() modules.clonePixiewpsGitHub() modules.cloneMDK4Deps() modules.createNewLine() modules.printSuccess(col, "Successfully built all dependencies.") except(KeyboardInterrupt, EOFError, Exception): modules.createNewLine() finally: functions.menuOrExit() #Delete the dependencies folder, if the user wants. def removeResidualFiles(): clearTerm() modules.createNewLine() if modules.yesNo("Confirm delete all residual files?", col): bashRun("rm ~/.airscriptNG/ -rf 2>/dev/null") modules.printSuccess(col, "Successfully removed the files.") functions.menuOrExit() #Allow the use full manual control over their wireless cards. def manualCardControl(): functions.getDependencies() try: interfaceMethod = attacks.interfaceObj(col) while True: interfaceMethod.displayMenu() except(KeyboardInterrupt, EOFError, Exception): modules.createNewLine() finally: functions.menuOrExit() #Finish this function! #Create the main class, which will store all the main functions of the program class main: #This function is responsible for hosting the evil-twin/fake AP def EvilTwinFakeAP(): functions.getDependencies() try: apMethod = attacks.apObj(col) apMethod.setInitialFiles() apMethod.showLogo() apMethod.selectOptions() apMethod.setupConfigFiles() apMethod.hostFakeAp() apMethod.cleanupFakeAp() except(KeyboardInterrupt, EOFError, Exception): try: apMethod.cleanupFakeAp() except(KeyboardInterrupt, EOFError, Exception): modules.createNewLine() finally: functions.menuOrExit() #This is here to remind me of how XTERM handles its geometry. Interesting. #xterm -geometry 125x35+4320 -bg '#FFFFFF' -fg '#000000' THIS MAKES IT APPEAR TOP RIGHT #xterm -geometry 125x35+4320+7640 -bg '#FFFFFF' -fg '#000000' BOTTOM RIGHT #xterm -geometry 125x35-4320+7640 -bg '#FFFFFF' -fg '#000000' BOTTOM LEFT #xterm -geometry 125x35-7640 -bg '#FFFFFF' -fg '#000000' TOP LEFT #This function will allow a user to crack a WPA/WPA2 handshake file (.cap file) def crackCaptureFile(): functions.getDependencies() try: capMethod = attacks.capObj(col) capMethod.showLogo() modules.createNewLine() print("{}Type [1] - Crack the WPA-HANDSHAKE with CPU".format( col.blue_deep)) print("{}Type [2] - Crack the WPA-HANDSHAKE with GPU (Much faster)".format( col.green_deep)) print("\n{}Type [99] - Return to menu {}".format( col.highlight, col.endl)) while True: modules.createNewLine() getOption = input(functions.displayCurrentPlace( "ENTER CHOICE", "PRE-EXISTING_HANDSHAKE")) if getOption.isdigit() and int(getOption) in [1,2,99]: break if int(getOption) == 1: capMethod.enumerateMissingOptions() capMethod.cpuCrack() elif int(getOption) == 2: capMethod.enumerateMissingOptions() capMethod.gpuCrack() #FINISH THIS except(KeyboardInterrupt, EOFError, Exception) as e: bashRun("killall aircrack-ng 2>/dev/null") bashRun("kill $(ps aux | grep -i hashcat |" " awk -F ' ' {'print $2'}) 2>/dev/null") finally: functions.menuOrExit() #This function used to revert a backup of the .bashrc file to its original location. #However this was deprecated in favor of symbolic links. #This is cleaner and easier to maintain as well as being a more efficient method. #Now, this function removes any created symlinks from the function below. def removeSymlink(): clearTerm() modules.createNewLine() modules.printBlue(col,"This option will remove the symlink created in option [7].") modules.printBlue(col,"If you haven't used option [7], then this isn't necessary.") modules.printBlue(col,"However, this should be safe to run.") modules.printBlue(col,"Unless you already have another airscript-ng in /usr/local/bin.") modules.createNewLine() try: if modules.yesNo("Remove the symbolic link?",col): if functions.checkExistingSymlink(): modules.createNewLine() modules.printSuccess(col, "Found airscript-ng in /usr/local/bin.") if bashReturnValue("rm -f /usr/local/bin/airscript-ng") == "0": modules.printSuccess(col, "Successfully deleted the symlink.") modules.printGreen(col, "Typing 'airscript-ng' will no longer invoke it.") else: raise ValueError else: raise FileNotFoundError except(FileNotFoundError): modules.createNewLine() modules.printYellow(col, "Symlink not found. No need to remove anything.") except(ValueError): modules.createNewLine() modules.printYellow(col, "An error occured while removing the symlink.") modules.printYellow(col, "Try running this manually: unlink /usr/local/bin/airscript-ng") finally: functions.menuOrExit() #This function creates a symlink, which allows you to invoke this program like any other binary. #Using lots of nested-ifs is far from ideal, however it's all I can think of at present. def createSymlink(): clearTerm() modules.createNewLine() modules.printBlue(col,"Creating a symbolic link allows you to run airscript-ng from anywhere.") modules.printBlue(col,"Essentially, this adds an entry in /usr/local/bin.") modules.printBlue(col,"Next time you want to run airscript-ng, just type 'airscript-ng'.") modules.printBlue(col,"You can run this from anywhere, any folder you want.") modules.printBlue(col,"If you change your mind, you can always delete this using option [8].") modules.createNewLine() try: if sys.argv[0].lower().startswith("./"): FILE_NAME = sys.argv[0][2:] elif sys.argv[0].lower().startswith("/usr/local/bin/"): raise TypeError else: FILE_NAME = sys.argv[0] if modules.yesNo("Create the symbolic link?",col): if not functions.checkExistingSymlink(): modules.createNewLine() modules.printSuccess(col, "Adding Symbolic link -> /usr/local/bin/airscript-ng") if bashReturnValue("ls /usr/local/bin") == "0": if bashReturnValue("echo $PATH | grep \"/usr/local/bin\"") == "0": if bashReturnValue("ln -sf $(find $(pwd) -name {}) /usr/local/bin/airscript-ng".format(FILE_NAME)) == "0": modules.printSuccess(col, "Successfully created the symlink.") modules.printGreen(col, "Now you can type 'airscript-ng' from anywhere.") modules.printGreen(col, "Go ahead, quit and try typing: airscript-ng") else: raise ValueError else: raise FileNotFoundError else: raise NotADirectoryError else: raise FileExistsError except(FileExistsError): modules.createNewLine() modules.printYellow(col, "Symbolic link already exists. Will not overwrite.") modules.printYellow(col, "Is this an error? You can delete the link manually.") modules.printYellow(col, "Try running this: unlink /usr/local/bin/airscript-ng") except(ValueError): modules.createNewLine() modules.printYellow(col, "An error occured while creating the symlink.") modules.printYellow(col, "Run this manually:") modules.printYellow(col, "ln -sf $(find $(pwd) -name {}) /usr/local/bin/airscript-ng".format( FILE_NAME)) except(FileNotFoundError): modules.createNewLine() modules.printYellow(col, "Unable to find /usr/local/bin in the $PATH env variable.") modules.printYellow(col, "If $PATH doesn't exist, then how are you running this?") modules.printYellow(col, "Otherwise, you can add to your $PATH variable by following this guide.") modules.printYellow(col, "Visit: https://stackoverflow.com/questions/14637979/how-to-permanently-set-path-on-linux-unix") except(NotADirectoryError): modules.createNewLine() modules.printYellow(col, "Unable to find the /usr/local/bin directory.") modules.printYellow(col, "Please choose a linux distro that utilises this directory.") modules.printYellow(col, "Otherwise, I can't add the Symlink.") except(TypeError): modules.createNewLine() modules.printYellow(col, "Wrong method of invocation.") modules.printYellow(col, "You're probably running this using 'airscript-ng'.") modules.printYellow(col, "That won't work. You'll have to run it manually for this occasion.") modules.printYellow(col, "Please head to where Airscript-ng is stored.") modules.printYellow(col, "Then run it manually with: ./airscript-ng") modules.printYellow(col, "If you're confused, please consult the README.md file.") finally: functions.menuOrExit() #This function is to use the reaver tool, to crack wps. def reaver(): functions.getDependencies() try: reaverMethod = attacks.wpsObj(col) reaverMethod.showLogo() reaverMethod.getWpsTargets() reaverMethod.parseWpsCsv() reaverMethod.pixieDust() reaverMethod.cleanupWpsFiles() except(KeyboardInterrupt, EOFError, Exception) as e: try: reaverMethod.cleanupWpsFiles() except(KeyboardInterrupt, EOFError, Exception): modules.createNewLine() finally: functions.menuOrExit() #This will handle Aircrack-ng, for most users this will be the go-to choice. #Again, this isn't the most efficient way, and I will re-write this at some point. def aircrackng(): functions.getDependencies() try: aircrackMethod = attacks.aircrackObj(col) aircrackMethod.showLogo() aircrackMethod.createTempFiles() aircrackMethod.selectInitialCard() aircrackMethod.gatherInitialData() aircrackMethod.parseCsvData() aircrackMethod.selectTargetNetwork() aircrackMethod.callCompleteCleanup() clearTerm() modules.printDeepBlue(col, "{1}Did you see WPA Handshake: {0} at the top right?".format( aircrackMethod.selectedNetworkTarget[1], col.green_deep)) modules.printDeepBlue(col, modules.returnBold(col, "If you didn't see that," "then {}cleanup with CTRL+C{} and try again.".format( col.red_deep, col.endl_deep))) decryptHandshake = attacks.capObj(col, aircrackMethod.captureFilePath) decryptHandshake.enumerateMissingOptions() clearTerm() modules.printDeepBlue(col, "Which method do you want to crack the Handshake with:\n") while True: choice_of_cpu_gpu = input("{0}Crack using{1}: CPU-->[c] (all CPUs)|" " GPU-->[g] (GTX 9xx,10xx+/AMD ROCM GPU) {2}${1} ".format( col.blue_deep, col.endl, col.green)).lower() if choice_of_cpu_gpu.startswith(("c","g")): break if choice_of_cpu_gpu.startswith("c"): decryptHandshake.cpuCrack() elif choice_of_cpu_gpu.startswith("g"): decryptHandshake.gpuCrack() except(KeyboardInterrupt, EOFError, Exception) as e: try: aircrackMethod.callCompleteCleanup() except(KeyboardInterrupt, EOFError, Exception): modules.createNewLine() finally: functions.menuOrExit() #This will handle mdk4. A very useful tool with quite a few interesting options. def mdk4(): functions.getDependencies() try: mdkMethod = attacks.mdkObj(col) mdkMethod.showLogo() mdkMethod.selectAttackMode() except(KeyboardInterrupt, EOFError, Exception) as e: try: mdkMethod.cleanupCard() except(KeyboardInterrupt, EOFError, Exception): modules.createNewLine() finally: functions.menuOrExit() #Define the main menu, where user will be presented with options and function of script. def mainMenu(): try: clearTerm() #Check if user has root permissions. if os.getuid() != 0: print("{}[?]{} Please make sure you have followed the steps:\n".format( col.yellow_deep, col.endl)) print("\t{0}->{1} [{0}i{1}] Made script executable with '{2}sudo chmod +x {3}{1}' ".format( col.blue, col.endl, col.red, sys.argv[0])) print("\t{0}->{1} [{0}i{1}] Ran it with '{2}sudo {3}{1}' \n".format( col.blue, col.endl, col.red, scriptInvocation)) print(modules.returnYellow(col, "\tAlternatively,")) print("\t{0}->{1} [{0}i{1}] If you have symlinked the program, just do '{2}sudo airscript-ng{1}' \n".format( col.blue, col.endl, col.red)) modules.normalQuit(1) print("Hello {}{}{}!\n".format(col.yellow,userName,col.endl)) displayWarranty() #Display the warranty information, as recommened by the GPLv3 license. print("{0}Your CPU{1}: {2}{3}{1}".format(col.red,col.endl,col.green,cpuModel)) print("{0}Your OS{1}: {2}{3}{1}".format(col.red,col.endl,col.green,userDistro)) print("{0}Your Kernel{1}: {2}{3}{1}".format(col.red,col.endl,col.green,userKernel)) print("{0}Your Architecture{1}: {2}{3}\\{4}{1}".format(col.red,col.endl,col.green,userArch,userArchDpkg)) print("{0}Dependencies{1}: {2}{3}{1}".format(col.red,col.endl,col.green,dependenciesInstalled())) print("{0}Script version{1}: {2}{3}{1}".format(col.red,col.endl,col.green,scriptVersion)) #A 2d list spanning across multiple lines that stores all the info for the menu. #Probably not the most efficient solution here, but its simple to maintain. menuTextItemArray = \ [[col.pink_deep,'Aircrack-ng to crack WPA/WPA2','1','main.aircrackng'], [col.blue_deep,'Reaver with pixie dust to crack WPS','2','main.reaver'], [col.endl_deep,'Host a Evil-Twin/MITM AP to phish credentials, sniff traffic and more.','3','main.EvilTwinFakeAP'], [col.red_deep,'Crack an existing WPA/WPA2 handshake using CPU/GPU.','4','main.crackCaptureFile'], [col.green_deep,'Use mdk4 to create a beacon flood, denial-of-service and more.','5','main.mdk4'], [col.yellow_deep,'Manipulate the system\'s WiFi-cards with manual control.','6','functions.manualCardControl'], [col.blue_deep,'Download and build the dependencies from GitHub.','7','functions.fetchGitHubDeps'], [col.yellow_deep,'Update/upgrade all system packages and this script','8','functions.updateAptPackagesFull'], [col.green_deep,'Setup Hashcat and Hashcat-utils to use GPU for cracking','9','functions.hashcatDownloadFunction'], [col.light_blue,'Add a symlink to invoke from anywhere','10','main.createSymlink'], [col.pink_deep,'Delete the symlink from option [10]','11','main.removeSymlink'], [col.black_deep,'Turn the colors on/off','12','functions.switchColors'], [col.endl_deep,'If apt is broken, use this to fix it','13','functions.revertKaliSources'], [col.red_deep,'Delete the folder containing dependencies.','14','functions.removeResidualFiles'], [col.highlight+'\n','Exit \033[0m'+col.endl,'99','functions.silentExit']] #The menu, in short. print("\n%s[?] %sWhat tool would you like to use? Please run as root." %(col.yellow_deep,col.endl)) print("\n{}-----------------------------------------ATTACKS-----------------------------------------{}\n".format( col.yellow_deep, col.endl)) for i in range(1,int(menuTextItemArray[-2][2])+2): print("%sType [%s] - %s" %(menuTextItemArray[i-1][0],menuTextItemArray[i-1][2],menuTextItemArray[i-1][1])) if i == 6: print("\n{}----------------------------------------DOWNLOADS----------------------------------------{}\n".format( col.green_deep, col.endl)) if i == 9: print("\n{}--------------------------------------INSTALLATIONS--------------------------------------{}\n".format( col.blue_deep, col.endl)) while True: mainMenuChoice = input('\n|%sMENU%s|(Choose an option) >>' %(col.red,col.endl)) for n in menuTextItemArray: if mainMenuChoice == n[2]: functionLocation = n[3].split(".")[1] if n[3].split(".")[0] == 'main': getattr(main,functionLocation)() elif n[3].split(".")[0] == 'functions': getattr(functions,functionLocation)() mainMenu() except(KeyboardInterrupt,EOFError): try: mainMenu() except(KeyboardInterrupt,EOFError): mainMenu() mainMenu()
Sh3llcod3/Aircrack-ng
airscript-ng.py
Python
gpl-3.0
27,707
[ "VisIt" ]
ca8400709c4c3bc3d2c23e1a28a1018d59a1570154e9971013a96ff45646c6c6
#!/usr/bin/env python # Copyright (c) 2012 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. # Copyright (C) 2008 Evan Martin <martine@danga.com> """A git-command for integrating reviews on Rietveld.""" from distutils.version import LooseVersion from multiprocessing.pool import ThreadPool import base64 import collections import glob import httplib import json import logging import optparse import os import Queue import re import stat import sys import tempfile import textwrap import time import traceback import urllib2 import urlparse import webbrowser import zlib try: import readline # pylint: disable=F0401,W0611 except ImportError: pass from third_party import colorama from third_party import httplib2 from third_party import upload import auth from luci_hacks import trigger_luci_job as luci_trigger import breakpad # pylint: disable=W0611 import clang_format import dart_format import fix_encoding import gclient_utils import git_common from git_footers import get_footer_svn_id import owners import owners_finder import presubmit_support import rietveld import scm import subcommand import subprocess2 import watchlists __version__ = '1.0' DEFAULT_SERVER = 'https://codereview.appspot.com' POSTUPSTREAM_HOOK_PATTERN = '.git/hooks/post-cl-%s' DESCRIPTION_BACKUP_FILE = '~/.git_cl_description_backup' GIT_INSTRUCTIONS_URL = 'http://code.google.com/p/chromium/wiki/UsingGit' CHANGE_ID = 'Change-Id:' REFS_THAT_ALIAS_TO_OTHER_REFS = { 'refs/remotes/origin/lkgr': 'refs/remotes/origin/master', 'refs/remotes/origin/lkcr': 'refs/remotes/origin/master', } # Valid extensions for files we want to lint. DEFAULT_LINT_REGEX = r"(.*\.cpp|.*\.cc|.*\.h)" DEFAULT_LINT_IGNORE_REGEX = r"$^" # Shortcut since it quickly becomes redundant. Fore = colorama.Fore # Initialized in main() settings = None def DieWithError(message): print >> sys.stderr, message sys.exit(1) def GetNoGitPagerEnv(): env = os.environ.copy() # 'cat' is a magical git string that disables pagers on all platforms. env['GIT_PAGER'] = 'cat' return env def RunCommand(args, error_ok=False, error_message=None, **kwargs): try: return subprocess2.check_output(args, shell=False, **kwargs) except subprocess2.CalledProcessError as e: logging.debug('Failed running %s', args) if not error_ok: DieWithError( 'Command "%s" failed.\n%s' % ( ' '.join(args), error_message or e.stdout or '')) return e.stdout def RunGit(args, **kwargs): """Returns stdout.""" return RunCommand(['git'] + args, **kwargs) def RunGitWithCode(args, suppress_stderr=False): """Returns return code and stdout.""" try: if suppress_stderr: stderr = subprocess2.VOID else: stderr = sys.stderr out, code = subprocess2.communicate(['git'] + args, env=GetNoGitPagerEnv(), stdout=subprocess2.PIPE, stderr=stderr) return code, out[0] except ValueError: # When the subprocess fails, it returns None. That triggers a ValueError # when trying to unpack the return value into (out, code). return 1, '' def RunGitSilent(args): """Returns stdout, suppresses stderr and ingores the return code.""" return RunGitWithCode(args, suppress_stderr=True)[1] def IsGitVersionAtLeast(min_version): prefix = 'git version ' version = RunGit(['--version']).strip() return (version.startswith(prefix) and LooseVersion(version[len(prefix):]) >= LooseVersion(min_version)) def BranchExists(branch): """Return True if specified branch exists.""" code, _ = RunGitWithCode(['rev-parse', '--verify', branch], suppress_stderr=True) return not code def ask_for_data(prompt): try: return raw_input(prompt) except KeyboardInterrupt: # Hide the exception. sys.exit(1) def git_set_branch_value(key, value): branch = Changelist().GetBranch() if not branch: return cmd = ['config'] if isinstance(value, int): cmd.append('--int') git_key = 'branch.%s.%s' % (branch, key) RunGit(cmd + [git_key, str(value)]) def git_get_branch_default(key, default): branch = Changelist().GetBranch() if branch: git_key = 'branch.%s.%s' % (branch, key) (_, stdout) = RunGitWithCode(['config', '--int', '--get', git_key]) try: return int(stdout.strip()) except ValueError: pass return default def add_git_similarity(parser): parser.add_option( '--similarity', metavar='SIM', type='int', action='store', help='Sets the percentage that a pair of files need to match in order to' ' be considered copies (default 50)') parser.add_option( '--find-copies', action='store_true', help='Allows git to look for copies.') parser.add_option( '--no-find-copies', action='store_false', dest='find_copies', help='Disallows git from looking for copies.') old_parser_args = parser.parse_args def Parse(args): options, args = old_parser_args(args) if options.similarity is None: options.similarity = git_get_branch_default('git-cl-similarity', 50) else: print('Note: Saving similarity of %d%% in git config.' % options.similarity) git_set_branch_value('git-cl-similarity', options.similarity) options.similarity = max(0, min(options.similarity, 100)) if options.find_copies is None: options.find_copies = bool( git_get_branch_default('git-find-copies', True)) else: git_set_branch_value('git-find-copies', int(options.find_copies)) print('Using %d%% similarity for rename/copy detection. ' 'Override with --similarity.' % options.similarity) return options, args parser.parse_args = Parse def _get_properties_from_options(options): properties = dict(x.split('=', 1) for x in options.properties) for key, val in properties.iteritems(): try: properties[key] = json.loads(val) except ValueError: pass # If a value couldn't be evaluated, treat it as a string. return properties def _prefix_master(master): """Convert user-specified master name to full master name. Buildbucket uses full master name(master.tryserver.chromium.linux) as bucket name, while the developers always use shortened master name (tryserver.chromium.linux) by stripping off the prefix 'master.'. This function does the conversion for buildbucket migration. """ prefix = 'master.' if master.startswith(prefix): return master return '%s%s' % (prefix, master) def trigger_luci_job(changelist, masters, options): """Send a job to run on LUCI.""" issue_props = changelist.GetIssueProperties() issue = changelist.GetIssue() patchset = changelist.GetMostRecentPatchset() for builders_and_tests in sorted(masters.itervalues()): for builder in sorted(builders_and_tests.iterkeys()): luci_trigger.trigger( builder, 'HEAD', issue, patchset, issue_props['project']) def trigger_try_jobs(auth_config, changelist, options, masters, category): rietveld_url = settings.GetDefaultServerUrl() rietveld_host = urlparse.urlparse(rietveld_url).hostname authenticator = auth.get_authenticator_for_host(rietveld_host, auth_config) http = authenticator.authorize(httplib2.Http()) http.force_exception_to_status_code = True issue_props = changelist.GetIssueProperties() issue = changelist.GetIssue() patchset = changelist.GetMostRecentPatchset() properties = _get_properties_from_options(options) buildbucket_put_url = ( 'https://{hostname}/_ah/api/buildbucket/v1/builds/batch'.format( hostname=options.buildbucket_host)) buildset = 'patch/rietveld/{hostname}/{issue}/{patch}'.format( hostname=rietveld_host, issue=issue, patch=patchset) batch_req_body = {'builds': []} print_text = [] print_text.append('Tried jobs on:') for master, builders_and_tests in sorted(masters.iteritems()): print_text.append('Master: %s' % master) bucket = _prefix_master(master) for builder, tests in sorted(builders_and_tests.iteritems()): print_text.append(' %s: %s' % (builder, tests)) parameters = { 'builder_name': builder, 'changes': [{ 'author': {'email': issue_props['owner_email']}, 'revision': options.revision, }], 'properties': { 'category': category, 'issue': issue, 'master': master, 'patch_project': issue_props['project'], 'patch_storage': 'rietveld', 'patchset': patchset, 'reason': options.name, 'rietveld': rietveld_url, 'testfilter': tests, }, } if properties: parameters['properties'].update(properties) if options.clobber: parameters['properties']['clobber'] = True batch_req_body['builds'].append( { 'bucket': bucket, 'parameters_json': json.dumps(parameters), 'tags': ['builder:%s' % builder, 'buildset:%s' % buildset, 'master:%s' % master, 'user_agent:git_cl_try'] } ) for try_count in xrange(3): response, content = http.request( buildbucket_put_url, 'PUT', body=json.dumps(batch_req_body), headers={'Content-Type': 'application/json'}, ) content_json = None try: content_json = json.loads(content) except ValueError: pass # Buildbucket could return an error even if status==200. if content_json and content_json.get('error'): msg = 'Error in response. Code: %d. Reason: %s. Message: %s.' % ( content_json['error'].get('code', ''), content_json['error'].get('reason', ''), content_json['error'].get('message', '')) raise BuildbucketResponseException(msg) if response.status == 200: if not content_json: raise BuildbucketResponseException( 'Buildbucket returns invalid json content: %s.\n' 'Please file bugs at crbug.com, label "Infra-BuildBucket".' % content) break if response.status < 500 or try_count >= 2: raise httplib2.HttpLib2Error(content) # status >= 500 means transient failures. logging.debug('Transient errors when triggering tryjobs. Will retry.') time.sleep(0.5 + 1.5*try_count) print '\n'.join(print_text) def MatchSvnGlob(url, base_url, glob_spec, allow_wildcards): """Return the corresponding git ref if |base_url| together with |glob_spec| matches the full |url|. If |allow_wildcards| is true, |glob_spec| can contain wildcards (see below). """ fetch_suburl, as_ref = glob_spec.split(':') if allow_wildcards: glob_match = re.match('(.+/)?(\*|{[^/]*})(/.+)?', fetch_suburl) if glob_match: # Parse specs like "branches/*/src:refs/remotes/svn/*" or # "branches/{472,597,648}/src:refs/remotes/svn/*". branch_re = re.escape(base_url) if glob_match.group(1): branch_re += '/' + re.escape(glob_match.group(1)) wildcard = glob_match.group(2) if wildcard == '*': branch_re += '([^/]*)' else: # Escape and replace surrounding braces with parentheses and commas # with pipe symbols. wildcard = re.escape(wildcard) wildcard = re.sub('^\\\\{', '(', wildcard) wildcard = re.sub('\\\\,', '|', wildcard) wildcard = re.sub('\\\\}$', ')', wildcard) branch_re += wildcard if glob_match.group(3): branch_re += re.escape(glob_match.group(3)) match = re.match(branch_re, url) if match: return re.sub('\*$', match.group(1), as_ref) # Parse specs like "trunk/src:refs/remotes/origin/trunk". if fetch_suburl: full_url = base_url + '/' + fetch_suburl else: full_url = base_url if full_url == url: return as_ref return None def print_stats(similarity, find_copies, args): """Prints statistics about the change to the user.""" # --no-ext-diff is broken in some versions of Git, so try to work around # this by overriding the environment (but there is still a problem if the # git config key "diff.external" is used). env = GetNoGitPagerEnv() if 'GIT_EXTERNAL_DIFF' in env: del env['GIT_EXTERNAL_DIFF'] if find_copies: similarity_options = ['--find-copies-harder', '-l100000', '-C%s' % similarity] else: similarity_options = ['-M%s' % similarity] try: stdout = sys.stdout.fileno() except AttributeError: stdout = None return subprocess2.call( ['git', 'diff', '--no-ext-diff', '--stat'] + similarity_options + args, stdout=stdout, env=env) class BuildbucketResponseException(Exception): pass class Settings(object): def __init__(self): self.default_server = None self.cc = None self.root = None self.is_git_svn = None self.svn_branch = None self.tree_status_url = None self.viewvc_url = None self.updated = False self.is_gerrit = None self.git_editor = None self.project = None self.force_https_commit_url = None self.pending_ref_prefix = None def LazyUpdateIfNeeded(self): """Updates the settings from a codereview.settings file, if available.""" if not self.updated: # The only value that actually changes the behavior is # autoupdate = "false". Everything else means "true". autoupdate = RunGit(['config', 'rietveld.autoupdate'], error_ok=True ).strip().lower() cr_settings_file = FindCodereviewSettingsFile() if autoupdate != 'false' and cr_settings_file: LoadCodereviewSettingsFromFile(cr_settings_file) # set updated to True to avoid infinite calling loop # through DownloadHooks self.updated = True DownloadHooks(False) self.updated = True def GetDefaultServerUrl(self, error_ok=False): if not self.default_server: self.LazyUpdateIfNeeded() self.default_server = gclient_utils.UpgradeToHttps( self._GetRietveldConfig('server', error_ok=True)) if error_ok: return self.default_server if not self.default_server: error_message = ('Could not find settings file. You must configure ' 'your review setup by running "git cl config".') self.default_server = gclient_utils.UpgradeToHttps( self._GetRietveldConfig('server', error_message=error_message)) return self.default_server @staticmethod def GetRelativeRoot(): return RunGit(['rev-parse', '--show-cdup']).strip() def GetRoot(self): if self.root is None: self.root = os.path.abspath(self.GetRelativeRoot()) return self.root def GetIsGitSvn(self): """Return true if this repo looks like it's using git-svn.""" if self.is_git_svn is None: if self.GetPendingRefPrefix(): # If PENDING_REF_PREFIX is set then it's a pure git repo no matter what. self.is_git_svn = False else: # If you have any "svn-remote.*" config keys, we think you're using svn. self.is_git_svn = RunGitWithCode( ['config', '--local', '--get-regexp', r'^svn-remote\.'])[0] == 0 return self.is_git_svn def GetSVNBranch(self): if self.svn_branch is None: if not self.GetIsGitSvn(): DieWithError('Repo doesn\'t appear to be a git-svn repo.') # Try to figure out which remote branch we're based on. # Strategy: # 1) iterate through our branch history and find the svn URL. # 2) find the svn-remote that fetches from the URL. # regexp matching the git-svn line that contains the URL. git_svn_re = re.compile(r'^\s*git-svn-id: (\S+)@', re.MULTILINE) # We don't want to go through all of history, so read a line from the # pipe at a time. # The -100 is an arbitrary limit so we don't search forever. cmd = ['git', 'log', '-100', '--pretty=medium'] proc = subprocess2.Popen(cmd, stdout=subprocess2.PIPE, env=GetNoGitPagerEnv()) url = None for line in proc.stdout: match = git_svn_re.match(line) if match: url = match.group(1) proc.stdout.close() # Cut pipe. break if url: svn_remote_re = re.compile(r'^svn-remote\.([^.]+)\.url (.*)$') remotes = RunGit(['config', '--get-regexp', r'^svn-remote\..*\.url']).splitlines() for remote in remotes: match = svn_remote_re.match(remote) if match: remote = match.group(1) base_url = match.group(2) rewrite_root = RunGit( ['config', 'svn-remote.%s.rewriteRoot' % remote], error_ok=True).strip() if rewrite_root: base_url = rewrite_root fetch_spec = RunGit( ['config', 'svn-remote.%s.fetch' % remote], error_ok=True).strip() if fetch_spec: self.svn_branch = MatchSvnGlob(url, base_url, fetch_spec, False) if self.svn_branch: break branch_spec = RunGit( ['config', 'svn-remote.%s.branches' % remote], error_ok=True).strip() if branch_spec: self.svn_branch = MatchSvnGlob(url, base_url, branch_spec, True) if self.svn_branch: break tag_spec = RunGit( ['config', 'svn-remote.%s.tags' % remote], error_ok=True).strip() if tag_spec: self.svn_branch = MatchSvnGlob(url, base_url, tag_spec, True) if self.svn_branch: break if not self.svn_branch: DieWithError('Can\'t guess svn branch -- try specifying it on the ' 'command line') return self.svn_branch def GetTreeStatusUrl(self, error_ok=False): if not self.tree_status_url: error_message = ('You must configure your tree status URL by running ' '"git cl config".') self.tree_status_url = self._GetRietveldConfig( 'tree-status-url', error_ok=error_ok, error_message=error_message) return self.tree_status_url def GetViewVCUrl(self): if not self.viewvc_url: self.viewvc_url = self._GetRietveldConfig('viewvc-url', error_ok=True) return self.viewvc_url def GetBugPrefix(self): return self._GetRietveldConfig('bug-prefix', error_ok=True) def GetIsSkipDependencyUpload(self, branch_name): """Returns true if specified branch should skip dep uploads.""" return self._GetBranchConfig(branch_name, 'skip-deps-uploads', error_ok=True) def GetRunPostUploadHook(self): run_post_upload_hook = self._GetRietveldConfig( 'run-post-upload-hook', error_ok=True) return run_post_upload_hook == "True" def GetDefaultCCList(self): return self._GetRietveldConfig('cc', error_ok=True) def GetDefaultPrivateFlag(self): return self._GetRietveldConfig('private', error_ok=True) def GetIsGerrit(self): """Return true if this repo is assosiated with gerrit code review system.""" if self.is_gerrit is None: self.is_gerrit = self._GetConfig('gerrit.host', error_ok=True) return self.is_gerrit def GetGitEditor(self): """Return the editor specified in the git config, or None if none is.""" if self.git_editor is None: self.git_editor = self._GetConfig('core.editor', error_ok=True) return self.git_editor or None def GetLintRegex(self): return (self._GetRietveldConfig('cpplint-regex', error_ok=True) or DEFAULT_LINT_REGEX) def GetLintIgnoreRegex(self): return (self._GetRietveldConfig('cpplint-ignore-regex', error_ok=True) or DEFAULT_LINT_IGNORE_REGEX) def GetProject(self): if not self.project: self.project = self._GetRietveldConfig('project', error_ok=True) return self.project def GetForceHttpsCommitUrl(self): if not self.force_https_commit_url: self.force_https_commit_url = self._GetRietveldConfig( 'force-https-commit-url', error_ok=True) return self.force_https_commit_url def GetPendingRefPrefix(self): if not self.pending_ref_prefix: self.pending_ref_prefix = self._GetRietveldConfig( 'pending-ref-prefix', error_ok=True) return self.pending_ref_prefix def _GetRietveldConfig(self, param, **kwargs): return self._GetConfig('rietveld.' + param, **kwargs) def _GetBranchConfig(self, branch_name, param, **kwargs): return self._GetConfig('branch.' + branch_name + '.' + param, **kwargs) def _GetConfig(self, param, **kwargs): self.LazyUpdateIfNeeded() return RunGit(['config', param], **kwargs).strip() def ShortBranchName(branch): """Convert a name like 'refs/heads/foo' to just 'foo'.""" return branch.replace('refs/heads/', '') class Changelist(object): def __init__(self, branchref=None, issue=None, auth_config=None): # Poke settings so we get the "configure your server" message if necessary. global settings if not settings: # Happens when git_cl.py is used as a utility library. settings = Settings() settings.GetDefaultServerUrl() self.branchref = branchref if self.branchref: self.branch = ShortBranchName(self.branchref) else: self.branch = None self.rietveld_server = None self.upstream_branch = None self.lookedup_issue = False self.issue = issue or None self.has_description = False self.description = None self.lookedup_patchset = False self.patchset = None self.cc = None self.watchers = () self._auth_config = auth_config self._props = None self._remote = None self._rpc_server = None @property def auth_config(self): return self._auth_config def GetCCList(self): """Return the users cc'd on this CL. Return is a string suitable for passing to gcl with the --cc flag. """ if self.cc is None: base_cc = settings.GetDefaultCCList() more_cc = ','.join(self.watchers) self.cc = ','.join(filter(None, (base_cc, more_cc))) or '' return self.cc def GetCCListWithoutDefault(self): """Return the users cc'd on this CL excluding default ones.""" if self.cc is None: self.cc = ','.join(self.watchers) return self.cc def SetWatchers(self, watchers): """Set the list of email addresses that should be cc'd based on the changed files in this CL. """ self.watchers = watchers def GetBranch(self): """Returns the short branch name, e.g. 'master'.""" if not self.branch: branchref = RunGit(['symbolic-ref', 'HEAD'], stderr=subprocess2.VOID, error_ok=True).strip() if not branchref: return None self.branchref = branchref self.branch = ShortBranchName(self.branchref) return self.branch def GetBranchRef(self): """Returns the full branch name, e.g. 'refs/heads/master'.""" self.GetBranch() # Poke the lazy loader. return self.branchref @staticmethod def FetchUpstreamTuple(branch): """Returns a tuple containing remote and remote ref, e.g. 'origin', 'refs/heads/master' """ remote = '.' upstream_branch = RunGit(['config', 'branch.%s.merge' % branch], error_ok=True).strip() if upstream_branch: remote = RunGit(['config', 'branch.%s.remote' % branch]).strip() else: upstream_branch = RunGit(['config', 'rietveld.upstream-branch'], error_ok=True).strip() if upstream_branch: remote = RunGit(['config', 'rietveld.upstream-remote']).strip() else: # Fall back on trying a git-svn upstream branch. if settings.GetIsGitSvn(): upstream_branch = settings.GetSVNBranch() else: # Else, try to guess the origin remote. remote_branches = RunGit(['branch', '-r']).split() if 'origin/master' in remote_branches: # Fall back on origin/master if it exits. remote = 'origin' upstream_branch = 'refs/heads/master' elif 'origin/trunk' in remote_branches: # Fall back on origin/trunk if it exists. Generally a shared # git-svn clone remote = 'origin' upstream_branch = 'refs/heads/trunk' else: DieWithError("""Unable to determine default branch to diff against. Either pass complete "git diff"-style arguments, like git cl upload origin/master or verify this branch is set up to track another (via the --track argument to "git checkout -b ...").""") return remote, upstream_branch def GetCommonAncestorWithUpstream(self): upstream_branch = self.GetUpstreamBranch() if not BranchExists(upstream_branch): DieWithError('The upstream for the current branch (%s) does not exist ' 'anymore.\nPlease fix it and try again.' % self.GetBranch()) return git_common.get_or_create_merge_base(self.GetBranch(), upstream_branch) def GetUpstreamBranch(self): if self.upstream_branch is None: remote, upstream_branch = self.FetchUpstreamTuple(self.GetBranch()) if remote is not '.': upstream_branch = upstream_branch.replace('refs/heads/', 'refs/remotes/%s/' % remote) upstream_branch = upstream_branch.replace('refs/branch-heads/', 'refs/remotes/branch-heads/') self.upstream_branch = upstream_branch return self.upstream_branch def GetRemoteBranch(self): if not self._remote: remote, branch = None, self.GetBranch() seen_branches = set() while branch not in seen_branches: seen_branches.add(branch) remote, branch = self.FetchUpstreamTuple(branch) branch = ShortBranchName(branch) if remote != '.' or branch.startswith('refs/remotes'): break else: remotes = RunGit(['remote'], error_ok=True).split() if len(remotes) == 1: remote, = remotes elif 'origin' in remotes: remote = 'origin' logging.warning('Could not determine which remote this change is ' 'associated with, so defaulting to "%s". This may ' 'not be what you want. You may prevent this message ' 'by running "git svn info" as documented here: %s', self._remote, GIT_INSTRUCTIONS_URL) else: logging.warn('Could not determine which remote this change is ' 'associated with. You may prevent this message by ' 'running "git svn info" as documented here: %s', GIT_INSTRUCTIONS_URL) branch = 'HEAD' if branch.startswith('refs/remotes'): self._remote = (remote, branch) elif branch.startswith('refs/branch-heads/'): self._remote = (remote, branch.replace('refs/', 'refs/remotes/')) else: self._remote = (remote, 'refs/remotes/%s/%s' % (remote, branch)) return self._remote def GitSanityChecks(self, upstream_git_obj): """Checks git repo status and ensures diff is from local commits.""" if upstream_git_obj is None: if self.GetBranch() is None: print >> sys.stderr, ( 'ERROR: unable to determine current branch (detached HEAD?)') else: print >> sys.stderr, ( 'ERROR: no upstream branch') return False # Verify the commit we're diffing against is in our current branch. upstream_sha = RunGit(['rev-parse', '--verify', upstream_git_obj]).strip() common_ancestor = RunGit(['merge-base', upstream_sha, 'HEAD']).strip() if upstream_sha != common_ancestor: print >> sys.stderr, ( 'ERROR: %s is not in the current branch. You may need to rebase ' 'your tracking branch' % upstream_sha) return False # List the commits inside the diff, and verify they are all local. commits_in_diff = RunGit( ['rev-list', '^%s' % upstream_sha, 'HEAD']).splitlines() code, remote_branch = RunGitWithCode(['config', 'gitcl.remotebranch']) remote_branch = remote_branch.strip() if code != 0: _, remote_branch = self.GetRemoteBranch() commits_in_remote = RunGit( ['rev-list', '^%s' % upstream_sha, remote_branch]).splitlines() common_commits = set(commits_in_diff) & set(commits_in_remote) if common_commits: print >> sys.stderr, ( 'ERROR: Your diff contains %d commits already in %s.\n' 'Run "git log --oneline %s..HEAD" to get a list of commits in ' 'the diff. If you are using a custom git flow, you can override' ' the reference used for this check with "git config ' 'gitcl.remotebranch <git-ref>".' % ( len(common_commits), remote_branch, upstream_git_obj)) return False return True def GetGitBaseUrlFromConfig(self): """Return the configured base URL from branch.<branchname>.baseurl. Returns None if it is not set. """ return RunGit(['config', 'branch.%s.base-url' % self.GetBranch()], error_ok=True).strip() def GetGitSvnRemoteUrl(self): """Return the configured git-svn remote URL parsed from git svn info. Returns None if it is not set. """ # URL is dependent on the current directory. data = RunGit(['svn', 'info'], cwd=settings.GetRoot()) if data: keys = dict(line.split(': ', 1) for line in data.splitlines() if ': ' in line) return keys.get('URL', None) return None def GetRemoteUrl(self): """Return the configured remote URL, e.g. 'git://example.org/foo.git/'. Returns None if there is no remote. """ remote, _ = self.GetRemoteBranch() url = RunGit(['config', 'remote.%s.url' % remote], error_ok=True).strip() # If URL is pointing to a local directory, it is probably a git cache. if os.path.isdir(url): url = RunGit(['config', 'remote.%s.url' % remote], error_ok=True, cwd=url).strip() return url def GetIssue(self): """Returns the issue number as a int or None if not set.""" if self.issue is None and not self.lookedup_issue: issue = RunGit(['config', self._IssueSetting()], error_ok=True).strip() self.issue = int(issue) or None if issue else None self.lookedup_issue = True return self.issue def GetRietveldServer(self): if not self.rietveld_server: # If we're on a branch then get the server potentially associated # with that branch. if self.GetIssue(): rietveld_server_config = self._RietveldServer() if rietveld_server_config: self.rietveld_server = gclient_utils.UpgradeToHttps(RunGit( ['config', rietveld_server_config], error_ok=True).strip()) if not self.rietveld_server: self.rietveld_server = settings.GetDefaultServerUrl() return self.rietveld_server def GetIssueURL(self): """Get the URL for a particular issue.""" if not self.GetIssue(): return None return '%s/%s' % (self.GetRietveldServer(), self.GetIssue()) def GetDescription(self, pretty=False): if not self.has_description: if self.GetIssue(): issue = self.GetIssue() try: self.description = self.RpcServer().get_description(issue).strip() except urllib2.HTTPError as e: if e.code == 404: DieWithError( ('\nWhile fetching the description for issue %d, received a ' '404 (not found)\n' 'error. It is likely that you deleted this ' 'issue on the server. If this is the\n' 'case, please run\n\n' ' git cl issue 0\n\n' 'to clear the association with the deleted issue. Then run ' 'this command again.') % issue) else: DieWithError( '\nFailed to fetch issue description. HTTP error %d' % e.code) except urllib2.URLError as e: print >> sys.stderr, ( 'Warning: Failed to retrieve CL description due to network ' 'failure.') self.description = '' self.has_description = True if pretty: wrapper = textwrap.TextWrapper() wrapper.initial_indent = wrapper.subsequent_indent = ' ' return wrapper.fill(self.description) return self.description def GetPatchset(self): """Returns the patchset number as a int or None if not set.""" if self.patchset is None and not self.lookedup_patchset: patchset = RunGit(['config', self._PatchsetSetting()], error_ok=True).strip() self.patchset = int(patchset) or None if patchset else None self.lookedup_patchset = True return self.patchset def SetPatchset(self, patchset): """Set this branch's patchset. If patchset=0, clears the patchset.""" if patchset: RunGit(['config', self._PatchsetSetting(), str(patchset)]) self.patchset = patchset else: RunGit(['config', '--unset', self._PatchsetSetting()], stderr=subprocess2.PIPE, error_ok=True) self.patchset = None def GetMostRecentPatchset(self): return self.GetIssueProperties()['patchsets'][-1] def GetPatchSetDiff(self, issue, patchset): return self.RpcServer().get( '/download/issue%s_%s.diff' % (issue, patchset)) def GetIssueProperties(self): if self._props is None: issue = self.GetIssue() if not issue: self._props = {} else: self._props = self.RpcServer().get_issue_properties(issue, True) return self._props def GetApprovingReviewers(self): return get_approving_reviewers(self.GetIssueProperties()) def AddComment(self, message): return self.RpcServer().add_comment(self.GetIssue(), message) def SetIssue(self, issue): """Set this branch's issue. If issue=0, clears the issue.""" if issue: self.issue = issue RunGit(['config', self._IssueSetting(), str(issue)]) if self.rietveld_server: RunGit(['config', self._RietveldServer(), self.rietveld_server]) else: current_issue = self.GetIssue() if current_issue: RunGit(['config', '--unset', self._IssueSetting()]) self.issue = None self.SetPatchset(None) def GetChange(self, upstream_branch, author): if not self.GitSanityChecks(upstream_branch): DieWithError('\nGit sanity check failure') root = settings.GetRelativeRoot() if not root: root = '.' absroot = os.path.abspath(root) # We use the sha1 of HEAD as a name of this change. name = RunGitWithCode(['rev-parse', 'HEAD'])[1].strip() # Need to pass a relative path for msysgit. try: files = scm.GIT.CaptureStatus([root], '.', upstream_branch) except subprocess2.CalledProcessError: DieWithError( ('\nFailed to diff against upstream branch %s\n\n' 'This branch probably doesn\'t exist anymore. To reset the\n' 'tracking branch, please run\n' ' git branch --set-upstream %s trunk\n' 'replacing trunk with origin/master or the relevant branch') % (upstream_branch, self.GetBranch())) issue = self.GetIssue() patchset = self.GetPatchset() if issue: description = self.GetDescription() else: # If the change was never uploaded, use the log messages of all commits # up to the branch point, as git cl upload will prefill the description # with these log messages. args = ['log', '--pretty=format:%s%n%n%b', '%s...' % (upstream_branch)] description = RunGitWithCode(args)[1].strip() if not author: author = RunGit(['config', 'user.email']).strip() or None return presubmit_support.GitChange( name, description, absroot, files, issue, patchset, author, upstream=upstream_branch) def GetStatus(self): """Apply a rough heuristic to give a simple summary of an issue's review or CQ status, assuming adherence to a common workflow. Returns None if no issue for this branch, or one of the following keywords: * 'error' - error from review tool (including deleted issues) * 'unsent' - not sent for review * 'waiting' - waiting for review * 'reply' - waiting for owner to reply to review * 'lgtm' - LGTM from at least one approved reviewer * 'commit' - in the commit queue * 'closed' - closed """ if not self.GetIssue(): return None try: props = self.GetIssueProperties() except urllib2.HTTPError: return 'error' if props.get('closed'): # Issue is closed. return 'closed' if props.get('commit'): # Issue is in the commit queue. return 'commit' try: reviewers = self.GetApprovingReviewers() except urllib2.HTTPError: return 'error' if reviewers: # Was LGTM'ed. return 'lgtm' messages = props.get('messages') or [] if not messages: # No message was sent. return 'unsent' if messages[-1]['sender'] != props.get('owner_email'): # Non-LGTM reply from non-owner return 'reply' return 'waiting' def RunHook(self, committing, may_prompt, verbose, change): """Calls sys.exit() if the hook fails; returns a HookResults otherwise.""" try: return presubmit_support.DoPresubmitChecks(change, committing, verbose=verbose, output_stream=sys.stdout, input_stream=sys.stdin, default_presubmit=None, may_prompt=may_prompt, rietveld_obj=self.RpcServer()) except presubmit_support.PresubmitFailure, e: DieWithError( ('%s\nMaybe your depot_tools is out of date?\n' 'If all fails, contact maruel@') % e) def UpdateDescription(self, description): self.description = description return self.RpcServer().update_description( self.GetIssue(), self.description) def CloseIssue(self): """Updates the description and closes the issue.""" return self.RpcServer().close_issue(self.GetIssue()) def SetFlag(self, flag, value): """Patchset must match.""" if not self.GetPatchset(): DieWithError('The patchset needs to match. Send another patchset.') try: return self.RpcServer().set_flag( self.GetIssue(), self.GetPatchset(), flag, value) except urllib2.HTTPError, e: if e.code == 404: DieWithError('The issue %s doesn\'t exist.' % self.GetIssue()) if e.code == 403: DieWithError( ('Access denied to issue %s. Maybe the patchset %s doesn\'t ' 'match?') % (self.GetIssue(), self.GetPatchset())) raise def RpcServer(self): """Returns an upload.RpcServer() to access this review's rietveld instance. """ if not self._rpc_server: self._rpc_server = rietveld.CachingRietveld( self.GetRietveldServer(), self._auth_config or auth.make_auth_config()) return self._rpc_server def _IssueSetting(self): """Return the git setting that stores this change's issue.""" return 'branch.%s.rietveldissue' % self.GetBranch() def _PatchsetSetting(self): """Return the git setting that stores this change's most recent patchset.""" return 'branch.%s.rietveldpatchset' % self.GetBranch() def _RietveldServer(self): """Returns the git setting that stores this change's rietveld server.""" branch = self.GetBranch() if branch: return 'branch.%s.rietveldserver' % branch return None def GetCodereviewSettingsInteractively(): """Prompt the user for settings.""" # TODO(ukai): ask code review system is rietveld or gerrit? server = settings.GetDefaultServerUrl(error_ok=True) prompt = 'Rietveld server (host[:port])' prompt += ' [%s]' % (server or DEFAULT_SERVER) newserver = ask_for_data(prompt + ':') if not server and not newserver: newserver = DEFAULT_SERVER if newserver: newserver = gclient_utils.UpgradeToHttps(newserver) if newserver != server: RunGit(['config', 'rietveld.server', newserver]) def SetProperty(initial, caption, name, is_url): prompt = caption if initial: prompt += ' ("x" to clear) [%s]' % initial new_val = ask_for_data(prompt + ':') if new_val == 'x': RunGit(['config', '--unset-all', 'rietveld.' + name], error_ok=True) elif new_val: if is_url: new_val = gclient_utils.UpgradeToHttps(new_val) if new_val != initial: RunGit(['config', 'rietveld.' + name, new_val]) SetProperty(settings.GetDefaultCCList(), 'CC list', 'cc', False) SetProperty(settings.GetDefaultPrivateFlag(), 'Private flag (rietveld only)', 'private', False) SetProperty(settings.GetTreeStatusUrl(error_ok=True), 'Tree status URL', 'tree-status-url', False) SetProperty(settings.GetViewVCUrl(), 'ViewVC URL', 'viewvc-url', True) SetProperty(settings.GetBugPrefix(), 'Bug Prefix', 'bug-prefix', False) SetProperty(settings.GetRunPostUploadHook(), 'Run Post Upload Hook', 'run-post-upload-hook', False) # TODO: configure a default branch to diff against, rather than this # svn-based hackery. class ChangeDescription(object): """Contains a parsed form of the change description.""" R_LINE = r'^[ \t]*(TBR|R)[ \t]*=[ \t]*(.*?)[ \t]*$' BUG_LINE = r'^[ \t]*(BUG)[ \t]*=[ \t]*(.*?)[ \t]*$' def __init__(self, description): self._description_lines = (description or '').strip().splitlines() @property # www.logilab.org/ticket/89786 def description(self): # pylint: disable=E0202 return '\n'.join(self._description_lines) def set_description(self, desc): if isinstance(desc, basestring): lines = desc.splitlines() else: lines = [line.rstrip() for line in desc] while lines and not lines[0]: lines.pop(0) while lines and not lines[-1]: lines.pop(-1) self._description_lines = lines def update_reviewers(self, reviewers, add_owners_tbr=False, change=None): """Rewrites the R=/TBR= line(s) as a single line each.""" assert isinstance(reviewers, list), reviewers if not reviewers and not add_owners_tbr: return reviewers = reviewers[:] # Get the set of R= and TBR= lines and remove them from the desciption. regexp = re.compile(self.R_LINE) matches = [regexp.match(line) for line in self._description_lines] new_desc = [l for i, l in enumerate(self._description_lines) if not matches[i]] self.set_description(new_desc) # Construct new unified R= and TBR= lines. r_names = [] tbr_names = [] for match in matches: if not match: continue people = cleanup_list([match.group(2).strip()]) if match.group(1) == 'TBR': tbr_names.extend(people) else: r_names.extend(people) for name in r_names: if name not in reviewers: reviewers.append(name) if add_owners_tbr: owners_db = owners.Database(change.RepositoryRoot(), fopen=file, os_path=os.path, glob=glob.glob) all_reviewers = set(tbr_names + reviewers) missing_files = owners_db.files_not_covered_by(change.LocalPaths(), all_reviewers) tbr_names.extend(owners_db.reviewers_for(missing_files, change.author_email)) new_r_line = 'R=' + ', '.join(reviewers) if reviewers else None new_tbr_line = 'TBR=' + ', '.join(tbr_names) if tbr_names else None # Put the new lines in the description where the old first R= line was. line_loc = next((i for i, match in enumerate(matches) if match), -1) if 0 <= line_loc < len(self._description_lines): if new_tbr_line: self._description_lines.insert(line_loc, new_tbr_line) if new_r_line: self._description_lines.insert(line_loc, new_r_line) else: if new_r_line: self.append_footer(new_r_line) if new_tbr_line: self.append_footer(new_tbr_line) def prompt(self): """Asks the user to update the description.""" self.set_description([ '# Enter a description of the change.', '# This will be displayed on the codereview site.', '# The first line will also be used as the subject of the review.', '#--------------------This line is 72 characters long' '--------------------', ] + self._description_lines) regexp = re.compile(self.BUG_LINE) if not any((regexp.match(line) for line in self._description_lines)): self.append_footer('BUG=%s' % settings.GetBugPrefix()) content = gclient_utils.RunEditor(self.description, True, git_editor=settings.GetGitEditor()) if not content: DieWithError('Running editor failed') lines = content.splitlines() # Strip off comments. clean_lines = [line.rstrip() for line in lines if not line.startswith('#')] if not clean_lines: DieWithError('No CL description, aborting') self.set_description(clean_lines) def append_footer(self, line): if self._description_lines: # Add an empty line if either the last line or the new line isn't a tag. last_line = self._description_lines[-1] if (not presubmit_support.Change.TAG_LINE_RE.match(last_line) or not presubmit_support.Change.TAG_LINE_RE.match(line)): self._description_lines.append('') self._description_lines.append(line) def get_reviewers(self): """Retrieves the list of reviewers.""" matches = [re.match(self.R_LINE, line) for line in self._description_lines] reviewers = [match.group(2).strip() for match in matches if match] return cleanup_list(reviewers) def get_approving_reviewers(props): """Retrieves the reviewers that approved a CL from the issue properties with messages. Note that the list may contain reviewers that are not committer, thus are not considered by the CQ. """ return sorted( set( message['sender'] for message in props['messages'] if message['approval'] and message['sender'] in props['reviewers'] ) ) def FindCodereviewSettingsFile(filename='codereview.settings'): """Finds the given file starting in the cwd and going up. Only looks up to the top of the repository unless an 'inherit-review-settings-ok' file exists in the root of the repository. """ inherit_ok_file = 'inherit-review-settings-ok' cwd = os.getcwd() root = settings.GetRoot() if os.path.isfile(os.path.join(root, inherit_ok_file)): root = '/' while True: if filename in os.listdir(cwd): if os.path.isfile(os.path.join(cwd, filename)): return open(os.path.join(cwd, filename)) if cwd == root: break cwd = os.path.dirname(cwd) def LoadCodereviewSettingsFromFile(fileobj): """Parse a codereview.settings file and updates hooks.""" keyvals = gclient_utils.ParseCodereviewSettingsContent(fileobj.read()) def SetProperty(name, setting, unset_error_ok=False): fullname = 'rietveld.' + name if setting in keyvals: RunGit(['config', fullname, keyvals[setting]]) else: RunGit(['config', '--unset-all', fullname], error_ok=unset_error_ok) SetProperty('server', 'CODE_REVIEW_SERVER') # Only server setting is required. Other settings can be absent. # In that case, we ignore errors raised during option deletion attempt. SetProperty('cc', 'CC_LIST', unset_error_ok=True) SetProperty('private', 'PRIVATE', unset_error_ok=True) SetProperty('tree-status-url', 'STATUS', unset_error_ok=True) SetProperty('viewvc-url', 'VIEW_VC', unset_error_ok=True) SetProperty('bug-prefix', 'BUG_PREFIX', unset_error_ok=True) SetProperty('cpplint-regex', 'LINT_REGEX', unset_error_ok=True) SetProperty('force-https-commit-url', 'FORCE_HTTPS_COMMIT_URL', unset_error_ok=True) SetProperty('cpplint-ignore-regex', 'LINT_IGNORE_REGEX', unset_error_ok=True) SetProperty('project', 'PROJECT', unset_error_ok=True) SetProperty('pending-ref-prefix', 'PENDING_REF_PREFIX', unset_error_ok=True) SetProperty('run-post-upload-hook', 'RUN_POST_UPLOAD_HOOK', unset_error_ok=True) if 'GERRIT_HOST' in keyvals: RunGit(['config', 'gerrit.host', keyvals['GERRIT_HOST']]) if 'PUSH_URL_CONFIG' in keyvals and 'ORIGIN_URL_CONFIG' in keyvals: #should be of the form #PUSH_URL_CONFIG: url.ssh://gitrw.chromium.org.pushinsteadof #ORIGIN_URL_CONFIG: http://src.chromium.org/git RunGit(['config', keyvals['PUSH_URL_CONFIG'], keyvals['ORIGIN_URL_CONFIG']]) def urlretrieve(source, destination): """urllib is broken for SSL connections via a proxy therefore we can't use urllib.urlretrieve().""" with open(destination, 'w') as f: f.write(urllib2.urlopen(source).read()) def hasSheBang(fname): """Checks fname is a #! script.""" with open(fname) as f: return f.read(2).startswith('#!') def DownloadHooks(force): """downloads hooks Args: force: True to update hooks. False to install hooks if not present. """ if not settings.GetIsGerrit(): return src = 'https://gerrit-review.googlesource.com/tools/hooks/commit-msg' dst = os.path.join(settings.GetRoot(), '.git', 'hooks', 'commit-msg') if not os.access(dst, os.X_OK): if os.path.exists(dst): if not force: return try: urlretrieve(src, dst) if not hasSheBang(dst): DieWithError('Not a script: %s\n' 'You need to download from\n%s\n' 'into .git/hooks/commit-msg and ' 'chmod +x .git/hooks/commit-msg' % (dst, src)) os.chmod(dst, stat.S_IRUSR | stat.S_IWUSR | stat.S_IXUSR) except Exception: if os.path.exists(dst): os.remove(dst) DieWithError('\nFailed to download hooks.\n' 'You need to download from\n%s\n' 'into .git/hooks/commit-msg and ' 'chmod +x .git/hooks/commit-msg' % src) @subcommand.usage('[repo root containing codereview.settings]') def CMDconfig(parser, args): """Edits configuration for this tree.""" parser.add_option('--activate-update', action='store_true', help='activate auto-updating [rietveld] section in ' '.git/config') parser.add_option('--deactivate-update', action='store_true', help='deactivate auto-updating [rietveld] section in ' '.git/config') options, args = parser.parse_args(args) if options.deactivate_update: RunGit(['config', 'rietveld.autoupdate', 'false']) return if options.activate_update: RunGit(['config', '--unset', 'rietveld.autoupdate']) return if len(args) == 0: GetCodereviewSettingsInteractively() DownloadHooks(True) return 0 url = args[0] if not url.endswith('codereview.settings'): url = os.path.join(url, 'codereview.settings') # Load code review settings and download hooks (if available). LoadCodereviewSettingsFromFile(urllib2.urlopen(url)) DownloadHooks(True) return 0 def CMDbaseurl(parser, args): """Gets or sets base-url for this branch.""" branchref = RunGit(['symbolic-ref', 'HEAD']).strip() branch = ShortBranchName(branchref) _, args = parser.parse_args(args) if not args: print("Current base-url:") return RunGit(['config', 'branch.%s.base-url' % branch], error_ok=False).strip() else: print("Setting base-url to %s" % args[0]) return RunGit(['config', 'branch.%s.base-url' % branch, args[0]], error_ok=False).strip() def color_for_status(status): """Maps a Changelist status to color, for CMDstatus and other tools.""" return { 'unsent': Fore.RED, 'waiting': Fore.BLUE, 'reply': Fore.YELLOW, 'lgtm': Fore.GREEN, 'commit': Fore.MAGENTA, 'closed': Fore.CYAN, 'error': Fore.WHITE, }.get(status, Fore.WHITE) def fetch_cl_status(branch, auth_config=None): """Fetches information for an issue and returns (branch, issue, status).""" cl = Changelist(branchref=branch, auth_config=auth_config) url = cl.GetIssueURL() status = cl.GetStatus() if url and (not status or status == 'error'): # The issue probably doesn't exist anymore. url += ' (broken)' return (branch, url, status) def get_cl_statuses( branches, fine_grained, max_processes=None, auth_config=None): """Returns a blocking iterable of (branch, issue, color) for given branches. If fine_grained is true, this will fetch CL statuses from the server. Otherwise, simply indicate if there's a matching url for the given branches. If max_processes is specified, it is used as the maximum number of processes to spawn to fetch CL status from the server. Otherwise 1 process per branch is spawned. """ # Silence upload.py otherwise it becomes unwieldly. upload.verbosity = 0 if fine_grained: # Process one branch synchronously to work through authentication, then # spawn processes to process all the other branches in parallel. if branches: fetch = lambda branch: fetch_cl_status(branch, auth_config=auth_config) yield fetch(branches[0]) branches_to_fetch = branches[1:] pool = ThreadPool( min(max_processes, len(branches_to_fetch)) if max_processes is not None else len(branches_to_fetch)) for x in pool.imap_unordered(fetch, branches_to_fetch): yield x else: # Do not use GetApprovingReviewers(), since it requires an HTTP request. for b in branches: cl = Changelist(branchref=b, auth_config=auth_config) url = cl.GetIssueURL() yield (b, url, 'waiting' if url else 'error') def upload_branch_deps(cl, args): """Uploads CLs of local branches that are dependents of the current branch. If the local branch dependency tree looks like: test1 -> test2.1 -> test3.1 -> test3.2 -> test2.2 -> test3.3 and you run "git cl upload --dependencies" from test1 then "git cl upload" is run on the dependent branches in this order: test2.1, test3.1, test3.2, test2.2, test3.3 Note: This function does not rebase your local dependent branches. Use it when you make a change to the parent branch that will not conflict with its dependent branches, and you would like their dependencies updated in Rietveld. """ if git_common.is_dirty_git_tree('upload-branch-deps'): return 1 root_branch = cl.GetBranch() if root_branch is None: DieWithError('Can\'t find dependent branches from detached HEAD state. ' 'Get on a branch!') if not cl.GetIssue() or not cl.GetPatchset(): DieWithError('Current branch does not have an uploaded CL. We cannot set ' 'patchset dependencies without an uploaded CL.') branches = RunGit(['for-each-ref', '--format=%(refname:short) %(upstream:short)', 'refs/heads']) if not branches: print('No local branches found.') return 0 # Create a dictionary of all local branches to the branches that are dependent # on it. tracked_to_dependents = collections.defaultdict(list) for b in branches.splitlines(): tokens = b.split() if len(tokens) == 2: branch_name, tracked = tokens tracked_to_dependents[tracked].append(branch_name) print print 'The dependent local branches of %s are:' % root_branch dependents = [] def traverse_dependents_preorder(branch, padding=''): dependents_to_process = tracked_to_dependents.get(branch, []) padding += ' ' for dependent in dependents_to_process: print '%s%s' % (padding, dependent) dependents.append(dependent) traverse_dependents_preorder(dependent, padding) traverse_dependents_preorder(root_branch) print if not dependents: print 'There are no dependent local branches for %s' % root_branch return 0 print ('This command will checkout all dependent branches and run ' '"git cl upload".') ask_for_data('[Press enter to continue or ctrl-C to quit]') # Add a default patchset title to all upload calls. args.extend(['-t', 'Updated patchset dependency']) # Record all dependents that failed to upload. failures = {} # Go through all dependents, checkout the branch and upload. try: for dependent_branch in dependents: print print '--------------------------------------' print 'Running "git cl upload" from %s:' % dependent_branch RunGit(['checkout', '-q', dependent_branch]) print try: if CMDupload(OptionParser(), args) != 0: print 'Upload failed for %s!' % dependent_branch failures[dependent_branch] = 1 except: # pylint: disable=W0702 failures[dependent_branch] = 1 print finally: # Swap back to the original root branch. RunGit(['checkout', '-q', root_branch]) print print 'Upload complete for dependent branches!' for dependent_branch in dependents: upload_status = 'failed' if failures.get(dependent_branch) else 'succeeded' print ' %s : %s' % (dependent_branch, upload_status) print return 0 def CMDstatus(parser, args): """Show status of changelists. Colors are used to tell the state of the CL unless --fast is used: - Red not sent for review or broken - Blue waiting for review - Yellow waiting for you to reply to review - Green LGTM'ed - Magenta in the commit queue - Cyan was committed, branch can be deleted Also see 'git cl comments'. """ parser.add_option('--field', help='print only specific field (desc|id|patch|url)') parser.add_option('-f', '--fast', action='store_true', help='Do not retrieve review status') parser.add_option( '-j', '--maxjobs', action='store', type=int, help='The maximum number of jobs to use when retrieving review status') auth.add_auth_options(parser) options, args = parser.parse_args(args) if args: parser.error('Unsupported args: %s' % args) auth_config = auth.extract_auth_config_from_options(options) if options.field: cl = Changelist(auth_config=auth_config) if options.field.startswith('desc'): print cl.GetDescription() elif options.field == 'id': issueid = cl.GetIssue() if issueid: print issueid elif options.field == 'patch': patchset = cl.GetPatchset() if patchset: print patchset elif options.field == 'url': url = cl.GetIssueURL() if url: print url return 0 branches = RunGit(['for-each-ref', '--format=%(refname)', 'refs/heads']) if not branches: print('No local branch found.') return 0 changes = ( Changelist(branchref=b, auth_config=auth_config) for b in branches.splitlines()) branches = [c.GetBranch() for c in changes] alignment = max(5, max(len(b) for b in branches)) print 'Branches associated with reviews:' output = get_cl_statuses(branches, fine_grained=not options.fast, max_processes=options.maxjobs, auth_config=auth_config) branch_statuses = {} alignment = max(5, max(len(ShortBranchName(b)) for b in branches)) for branch in sorted(branches): while branch not in branch_statuses: b, i, status = output.next() branch_statuses[b] = (i, status) issue_url, status = branch_statuses.pop(branch) color = color_for_status(status) reset = Fore.RESET if not sys.stdout.isatty(): color = '' reset = '' status_str = '(%s)' % status if status else '' print ' %*s : %s%s %s%s' % ( alignment, ShortBranchName(branch), color, issue_url, status_str, reset) cl = Changelist(auth_config=auth_config) print print 'Current branch:', print cl.GetBranch() if not cl.GetIssue(): print 'No issue assigned.' return 0 print 'Issue number: %s (%s)' % (cl.GetIssue(), cl.GetIssueURL()) if not options.fast: print 'Issue description:' print cl.GetDescription(pretty=True) return 0 def colorize_CMDstatus_doc(): """To be called once in main() to add colors to git cl status help.""" colors = [i for i in dir(Fore) if i[0].isupper()] def colorize_line(line): for color in colors: if color in line.upper(): # Extract whitespaces first and the leading '-'. indent = len(line) - len(line.lstrip(' ')) + 1 return line[:indent] + getattr(Fore, color) + line[indent:] + Fore.RESET return line lines = CMDstatus.__doc__.splitlines() CMDstatus.__doc__ = '\n'.join(colorize_line(l) for l in lines) @subcommand.usage('[issue_number]') def CMDissue(parser, args): """Sets or displays the current code review issue number. Pass issue number 0 to clear the current issue. """ parser.add_option('-r', '--reverse', action='store_true', help='Lookup the branch(es) for the specified issues. If ' 'no issues are specified, all branches with mapped ' 'issues will be listed.') options, args = parser.parse_args(args) if options.reverse: branches = RunGit(['for-each-ref', 'refs/heads', '--format=%(refname:short)']).splitlines() # Reverse issue lookup. issue_branch_map = {} for branch in branches: cl = Changelist(branchref=branch) issue_branch_map.setdefault(cl.GetIssue(), []).append(branch) if not args: args = sorted(issue_branch_map.iterkeys()) for issue in args: if not issue: continue print 'Branch for issue number %s: %s' % ( issue, ', '.join(issue_branch_map.get(int(issue)) or ('None',))) else: cl = Changelist() if len(args) > 0: try: issue = int(args[0]) except ValueError: DieWithError('Pass a number to set the issue or none to list it.\n' 'Maybe you want to run git cl status?') cl.SetIssue(issue) print 'Issue number: %s (%s)' % (cl.GetIssue(), cl.GetIssueURL()) return 0 def CMDcomments(parser, args): """Shows or posts review comments for any changelist.""" parser.add_option('-a', '--add-comment', dest='comment', help='comment to add to an issue') parser.add_option('-i', dest='issue', help="review issue id (defaults to current issue)") parser.add_option('-j', '--json-file', help='File to write JSON summary to') auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) issue = None if options.issue: try: issue = int(options.issue) except ValueError: DieWithError('A review issue id is expected to be a number') cl = Changelist(issue=issue, auth_config=auth_config) if options.comment: cl.AddComment(options.comment) return 0 data = cl.GetIssueProperties() summary = [] for message in sorted(data.get('messages', []), key=lambda x: x['date']): summary.append({ 'date': message['date'], 'lgtm': False, 'message': message['text'], 'not_lgtm': False, 'sender': message['sender'], }) if message['disapproval']: color = Fore.RED summary[-1]['not lgtm'] = True elif message['approval']: color = Fore.GREEN summary[-1]['lgtm'] = True elif message['sender'] == data['owner_email']: color = Fore.MAGENTA else: color = Fore.BLUE print '\n%s%s %s%s' % ( color, message['date'].split('.', 1)[0], message['sender'], Fore.RESET) if message['text'].strip(): print '\n'.join(' ' + l for l in message['text'].splitlines()) if options.json_file: with open(options.json_file, 'wb') as f: json.dump(summary, f) return 0 def CMDdescription(parser, args): """Brings up the editor for the current CL's description.""" parser.add_option('-d', '--display', action='store_true', help='Display the description instead of opening an editor') auth.add_auth_options(parser) options, _ = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) cl = Changelist(auth_config=auth_config) if not cl.GetIssue(): DieWithError('This branch has no associated changelist.') description = ChangeDescription(cl.GetDescription()) if options.display: print description.description return 0 description.prompt() if cl.GetDescription() != description.description: cl.UpdateDescription(description.description) return 0 def CreateDescriptionFromLog(args): """Pulls out the commit log to use as a base for the CL description.""" log_args = [] if len(args) == 1 and not args[0].endswith('.'): log_args = [args[0] + '..'] elif len(args) == 1 and args[0].endswith('...'): log_args = [args[0][:-1]] elif len(args) == 2: log_args = [args[0] + '..' + args[1]] else: log_args = args[:] # Hope for the best! return RunGit(['log', '--pretty=format:%s\n\n%b'] + log_args) def CMDlint(parser, args): """Runs cpplint on the current changelist.""" parser.add_option('--filter', action='append', metavar='-x,+y', help='Comma-separated list of cpplint\'s category-filters') auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) # Access to a protected member _XX of a client class # pylint: disable=W0212 try: import cpplint import cpplint_chromium except ImportError: print "Your depot_tools is missing cpplint.py and/or cpplint_chromium.py." return 1 # Change the current working directory before calling lint so that it # shows the correct base. previous_cwd = os.getcwd() os.chdir(settings.GetRoot()) try: cl = Changelist(auth_config=auth_config) change = cl.GetChange(cl.GetCommonAncestorWithUpstream(), None) files = [f.LocalPath() for f in change.AffectedFiles()] if not files: print "Cannot lint an empty CL" return 1 # Process cpplints arguments if any. command = args + files if options.filter: command = ['--filter=' + ','.join(options.filter)] + command filenames = cpplint.ParseArguments(command) white_regex = re.compile(settings.GetLintRegex()) black_regex = re.compile(settings.GetLintIgnoreRegex()) extra_check_functions = [cpplint_chromium.CheckPointerDeclarationWhitespace] for filename in filenames: if white_regex.match(filename): if black_regex.match(filename): print "Ignoring file %s" % filename else: cpplint.ProcessFile(filename, cpplint._cpplint_state.verbose_level, extra_check_functions) else: print "Skipping file %s" % filename finally: os.chdir(previous_cwd) print "Total errors found: %d\n" % cpplint._cpplint_state.error_count if cpplint._cpplint_state.error_count != 0: return 1 return 0 def CMDpresubmit(parser, args): """Runs presubmit tests on the current changelist.""" parser.add_option('-u', '--upload', action='store_true', help='Run upload hook instead of the push/dcommit hook') parser.add_option('-f', '--force', action='store_true', help='Run checks even if tree is dirty') auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) if not options.force and git_common.is_dirty_git_tree('presubmit'): print 'use --force to check even if tree is dirty.' return 1 cl = Changelist(auth_config=auth_config) if args: base_branch = args[0] else: # Default to diffing against the common ancestor of the upstream branch. base_branch = cl.GetCommonAncestorWithUpstream() cl.RunHook( committing=not options.upload, may_prompt=False, verbose=options.verbose, change=cl.GetChange(base_branch, None)) return 0 def AddChangeIdToCommitMessage(options, args): """Re-commits using the current message, assumes the commit hook is in place. """ log_desc = options.message or CreateDescriptionFromLog(args) git_command = ['commit', '--amend', '-m', log_desc] RunGit(git_command) new_log_desc = CreateDescriptionFromLog(args) if CHANGE_ID in new_log_desc: print 'git-cl: Added Change-Id to commit message.' else: print >> sys.stderr, 'ERROR: Gerrit commit-msg hook not available.' def GerritUpload(options, args, cl, change): """upload the current branch to gerrit.""" # We assume the remote called "origin" is the one we want. # It is probably not worthwhile to support different workflows. gerrit_remote = 'origin' remote, remote_branch = cl.GetRemoteBranch() branch = GetTargetRef(remote, remote_branch, options.target_branch, pending_prefix='') change_desc = ChangeDescription( options.message or CreateDescriptionFromLog(args)) if not change_desc.description: print "Description is empty; aborting." return 1 if options.squash: # Try to get the message from a previous upload. shadow_branch = 'refs/heads/git_cl_uploads/' + cl.GetBranch() message = RunGitSilent(['show', '--format=%s\n\n%b', '-s', shadow_branch]) if not message: if not options.force: change_desc.prompt() if CHANGE_ID not in change_desc.description: # Run the commit-msg hook without modifying the head commit by writing # the commit message to a temporary file and running the hook over it, # then reading the file back in. commit_msg_hook = os.path.join(settings.GetRoot(), '.git', 'hooks', 'commit-msg') file_handle, msg_file = tempfile.mkstemp(text=True, prefix='commit_msg') try: try: with os.fdopen(file_handle, 'w') as fileobj: fileobj.write(change_desc.description) finally: os.close(file_handle) RunCommand([commit_msg_hook, msg_file]) change_desc.set_description(gclient_utils.FileRead(msg_file)) finally: os.remove(msg_file) if not change_desc.description: print "Description is empty; aborting." return 1 message = change_desc.description remote, upstream_branch = cl.FetchUpstreamTuple(cl.GetBranch()) if remote is '.': # If our upstream branch is local, we base our squashed commit on its # squashed version. parent = ('refs/heads/git_cl_uploads/' + scm.GIT.ShortBranchName(upstream_branch)) # Verify that the upstream branch has been uploaded too, otherwise Gerrit # will create additional CLs when uploading. if (RunGitSilent(['rev-parse', upstream_branch + ':']) != RunGitSilent(['rev-parse', parent + ':'])): print 'Upload upstream branch ' + upstream_branch + ' first.' return 1 else: parent = cl.GetCommonAncestorWithUpstream() tree = RunGit(['rev-parse', 'HEAD:']).strip() ref_to_push = RunGit(['commit-tree', tree, '-p', parent, '-m', message]).strip() else: if CHANGE_ID not in change_desc.description: AddChangeIdToCommitMessage(options, args) ref_to_push = 'HEAD' parent = '%s/%s' % (gerrit_remote, branch) commits = RunGitSilent(['rev-list', '%s..%s' % (parent, ref_to_push)]).splitlines() if len(commits) > 1: print('WARNING: This will upload %d commits. Run the following command ' 'to see which commits will be uploaded: ' % len(commits)) print('git log %s..%s' % (parent, ref_to_push)) print('You can also use `git squash-branch` to squash these into a single ' 'commit.') ask_for_data('About to upload; enter to confirm.') if options.reviewers or options.tbr_owners: change_desc.update_reviewers(options.reviewers, options.tbr_owners, change) receive_options = [] cc = cl.GetCCList().split(',') if options.cc: cc.extend(options.cc) cc = filter(None, cc) if cc: receive_options += ['--cc=' + email for email in cc] if change_desc.get_reviewers(): receive_options.extend( '--reviewer=' + email for email in change_desc.get_reviewers()) git_command = ['push'] if receive_options: git_command.append('--receive-pack=git receive-pack %s' % ' '.join(receive_options)) git_command += [gerrit_remote, ref_to_push + ':refs/for/' + branch] RunGit(git_command) if options.squash: head = RunGit(['rev-parse', 'HEAD']).strip() RunGit(['update-ref', '-m', 'Uploaded ' + head, shadow_branch, ref_to_push]) # TODO(ukai): parse Change-Id: and set issue number? return 0 def GetTargetRef(remote, remote_branch, target_branch, pending_prefix): """Computes the remote branch ref to use for the CL. Args: remote (str): The git remote for the CL. remote_branch (str): The git remote branch for the CL. target_branch (str): The target branch specified by the user. pending_prefix (str): The pending prefix from the settings. """ if not (remote and remote_branch): return None if target_branch: # Cannonicalize branch references to the equivalent local full symbolic # refs, which are then translated into the remote full symbolic refs # below. if '/' not in target_branch: remote_branch = 'refs/remotes/%s/%s' % (remote, target_branch) else: prefix_replacements = ( ('^((refs/)?remotes/)?branch-heads/', 'refs/remotes/branch-heads/'), ('^((refs/)?remotes/)?%s/' % remote, 'refs/remotes/%s/' % remote), ('^(refs/)?heads/', 'refs/remotes/%s/' % remote), ) match = None for regex, replacement in prefix_replacements: match = re.search(regex, target_branch) if match: remote_branch = target_branch.replace(match.group(0), replacement) break if not match: # This is a branch path but not one we recognize; use as-is. remote_branch = target_branch elif remote_branch in REFS_THAT_ALIAS_TO_OTHER_REFS: # Handle the refs that need to land in different refs. remote_branch = REFS_THAT_ALIAS_TO_OTHER_REFS[remote_branch] # Create the true path to the remote branch. # Does the following translation: # * refs/remotes/origin/refs/diff/test -> refs/diff/test # * refs/remotes/origin/master -> refs/heads/master # * refs/remotes/branch-heads/test -> refs/branch-heads/test if remote_branch.startswith('refs/remotes/%s/refs/' % remote): remote_branch = remote_branch.replace('refs/remotes/%s/' % remote, '') elif remote_branch.startswith('refs/remotes/%s/' % remote): remote_branch = remote_branch.replace('refs/remotes/%s/' % remote, 'refs/heads/') elif remote_branch.startswith('refs/remotes/branch-heads'): remote_branch = remote_branch.replace('refs/remotes/', 'refs/') # If a pending prefix exists then replace refs/ with it. if pending_prefix: remote_branch = remote_branch.replace('refs/', pending_prefix) return remote_branch def RietveldUpload(options, args, cl, change): """upload the patch to rietveld.""" upload_args = ['--assume_yes'] # Don't ask about untracked files. upload_args.extend(['--server', cl.GetRietveldServer()]) upload_args.extend(auth.auth_config_to_command_options(cl.auth_config)) if options.emulate_svn_auto_props: upload_args.append('--emulate_svn_auto_props') change_desc = None if options.email is not None: upload_args.extend(['--email', options.email]) if cl.GetIssue(): if options.title: upload_args.extend(['--title', options.title]) if options.message: upload_args.extend(['--message', options.message]) upload_args.extend(['--issue', str(cl.GetIssue())]) print ("This branch is associated with issue %s. " "Adding patch to that issue." % cl.GetIssue()) else: if options.title: upload_args.extend(['--title', options.title]) message = options.title or options.message or CreateDescriptionFromLog(args) change_desc = ChangeDescription(message) if options.reviewers or options.tbr_owners: change_desc.update_reviewers(options.reviewers, options.tbr_owners, change) if not options.force: change_desc.prompt() if not change_desc.description: print "Description is empty; aborting." return 1 upload_args.extend(['--message', change_desc.description]) if change_desc.get_reviewers(): upload_args.append('--reviewers=' + ','.join(change_desc.get_reviewers())) if options.send_mail: if not change_desc.get_reviewers(): DieWithError("Must specify reviewers to send email.") upload_args.append('--send_mail') # We check this before applying rietveld.private assuming that in # rietveld.cc only addresses which we can send private CLs to are listed # if rietveld.private is set, and so we should ignore rietveld.cc only when # --private is specified explicitly on the command line. if options.private: logging.warn('rietveld.cc is ignored since private flag is specified. ' 'You need to review and add them manually if necessary.') cc = cl.GetCCListWithoutDefault() else: cc = cl.GetCCList() cc = ','.join(filter(None, (cc, ','.join(options.cc)))) if cc: upload_args.extend(['--cc', cc]) if options.private or settings.GetDefaultPrivateFlag() == "True": upload_args.append('--private') upload_args.extend(['--git_similarity', str(options.similarity)]) if not options.find_copies: upload_args.extend(['--git_no_find_copies']) # Include the upstream repo's URL in the change -- this is useful for # projects that have their source spread across multiple repos. remote_url = cl.GetGitBaseUrlFromConfig() if not remote_url: if settings.GetIsGitSvn(): remote_url = cl.GetGitSvnRemoteUrl() else: if cl.GetRemoteUrl() and '/' in cl.GetUpstreamBranch(): remote_url = (cl.GetRemoteUrl() + '@' + cl.GetUpstreamBranch().split('/')[-1]) if remote_url: upload_args.extend(['--base_url', remote_url]) remote, remote_branch = cl.GetRemoteBranch() target_ref = GetTargetRef(remote, remote_branch, options.target_branch, settings.GetPendingRefPrefix()) if target_ref: upload_args.extend(['--target_ref', target_ref]) # Look for dependent patchsets. See crbug.com/480453 for more details. remote, upstream_branch = cl.FetchUpstreamTuple(cl.GetBranch()) upstream_branch = ShortBranchName(upstream_branch) if remote is '.': # A local branch is being tracked. local_branch = ShortBranchName(upstream_branch) if settings.GetIsSkipDependencyUpload(local_branch): print print ('Skipping dependency patchset upload because git config ' 'branch.%s.skip-deps-uploads is set to True.' % local_branch) print else: auth_config = auth.extract_auth_config_from_options(options) branch_cl = Changelist(branchref=local_branch, auth_config=auth_config) branch_cl_issue_url = branch_cl.GetIssueURL() branch_cl_issue = branch_cl.GetIssue() branch_cl_patchset = branch_cl.GetPatchset() if branch_cl_issue_url and branch_cl_issue and branch_cl_patchset: upload_args.extend( ['--depends_on_patchset', '%s:%s' % ( branch_cl_issue, branch_cl_patchset)]) print print ('The current branch (%s) is tracking a local branch (%s) with ' 'an associated CL.') % (cl.GetBranch(), local_branch) print 'Adding %s/#ps%s as a dependency patchset.' % ( branch_cl_issue_url, branch_cl_patchset) print project = settings.GetProject() if project: upload_args.extend(['--project', project]) if options.cq_dry_run: upload_args.extend(['--cq_dry_run']) try: upload_args = ['upload'] + upload_args + args logging.info('upload.RealMain(%s)', upload_args) issue, patchset = upload.RealMain(upload_args) issue = int(issue) patchset = int(patchset) except KeyboardInterrupt: sys.exit(1) except: # If we got an exception after the user typed a description for their # change, back up the description before re-raising. if change_desc: backup_path = os.path.expanduser(DESCRIPTION_BACKUP_FILE) print '\nGot exception while uploading -- saving description to %s\n' \ % backup_path backup_file = open(backup_path, 'w') backup_file.write(change_desc.description) backup_file.close() raise if not cl.GetIssue(): cl.SetIssue(issue) cl.SetPatchset(patchset) if options.use_commit_queue: cl.SetFlag('commit', '1') return 0 def cleanup_list(l): """Fixes a list so that comma separated items are put as individual items. So that "--reviewers joe@c,john@c --reviewers joa@c" results in options.reviewers == sorted(['joe@c', 'john@c', 'joa@c']). """ items = sum((i.split(',') for i in l), []) stripped_items = (i.strip() for i in items) return sorted(filter(None, stripped_items)) @subcommand.usage('[args to "git diff"]') def CMDupload(parser, args): """Uploads the current changelist to codereview. Can skip dependency patchset uploads for a branch by running: git config branch.branch_name.skip-deps-uploads True To unset run: git config --unset branch.branch_name.skip-deps-uploads Can also set the above globally by using the --global flag. """ parser.add_option('--bypass-hooks', action='store_true', dest='bypass_hooks', help='bypass upload presubmit hook') parser.add_option('--bypass-watchlists', action='store_true', dest='bypass_watchlists', help='bypass watchlists auto CC-ing reviewers') parser.add_option('-f', action='store_true', dest='force', help="force yes to questions (don't prompt)") parser.add_option('-m', dest='message', help='message for patchset') parser.add_option('-t', dest='title', help='title for patchset') parser.add_option('-r', '--reviewers', action='append', default=[], help='reviewer email addresses') parser.add_option('--cc', action='append', default=[], help='cc email addresses') parser.add_option('-s', '--send-mail', action='store_true', help='send email to reviewer immediately') parser.add_option('--emulate_svn_auto_props', '--emulate-svn-auto-props', action="store_true", dest="emulate_svn_auto_props", help="Emulate Subversion's auto properties feature.") parser.add_option('-c', '--use-commit-queue', action='store_true', help='tell the commit queue to commit this patchset') parser.add_option('--private', action='store_true', help='set the review private (rietveld only)') parser.add_option('--target_branch', '--target-branch', metavar='TARGET', help='Apply CL to remote ref TARGET. ' + 'Default: remote branch head, or master') parser.add_option('--squash', action='store_true', help='Squash multiple commits into one (Gerrit only)') parser.add_option('--email', default=None, help='email address to use to connect to Rietveld') parser.add_option('--tbr-owners', dest='tbr_owners', action='store_true', help='add a set of OWNERS to TBR') parser.add_option('--cq-dry-run', dest='cq_dry_run', action='store_true', help='Send the patchset to do a CQ dry run right after ' 'upload.') parser.add_option('--dependencies', action='store_true', help='Uploads CLs of all the local branches that depend on ' 'the current branch') orig_args = args add_git_similarity(parser) auth.add_auth_options(parser) (options, args) = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) if git_common.is_dirty_git_tree('upload'): return 1 options.reviewers = cleanup_list(options.reviewers) options.cc = cleanup_list(options.cc) cl = Changelist(auth_config=auth_config) if args: # TODO(ukai): is it ok for gerrit case? base_branch = args[0] else: if cl.GetBranch() is None: DieWithError('Can\'t upload from detached HEAD state. Get on a branch!') # Default to diffing against common ancestor of upstream branch base_branch = cl.GetCommonAncestorWithUpstream() args = [base_branch, 'HEAD'] # Make sure authenticated to Rietveld before running expensive hooks. It is # a fast, best efforts check. Rietveld still can reject the authentication # during the actual upload. if not settings.GetIsGerrit() and auth_config.use_oauth2: authenticator = auth.get_authenticator_for_host( cl.GetRietveldServer(), auth_config) if not authenticator.has_cached_credentials(): raise auth.LoginRequiredError(cl.GetRietveldServer()) # Apply watchlists on upload. change = cl.GetChange(base_branch, None) watchlist = watchlists.Watchlists(change.RepositoryRoot()) files = [f.LocalPath() for f in change.AffectedFiles()] if not options.bypass_watchlists: cl.SetWatchers(watchlist.GetWatchersForPaths(files)) if not options.bypass_hooks: if options.reviewers or options.tbr_owners: # Set the reviewer list now so that presubmit checks can access it. change_description = ChangeDescription(change.FullDescriptionText()) change_description.update_reviewers(options.reviewers, options.tbr_owners, change) change.SetDescriptionText(change_description.description) hook_results = cl.RunHook(committing=False, may_prompt=not options.force, verbose=options.verbose, change=change) if not hook_results.should_continue(): return 1 if not options.reviewers and hook_results.reviewers: options.reviewers = hook_results.reviewers.split(',') if cl.GetIssue(): latest_patchset = cl.GetMostRecentPatchset() local_patchset = cl.GetPatchset() if latest_patchset and local_patchset and local_patchset != latest_patchset: print ('The last upload made from this repository was patchset #%d but ' 'the most recent patchset on the server is #%d.' % (local_patchset, latest_patchset)) print ('Uploading will still work, but if you\'ve uploaded to this issue ' 'from another machine or branch the patch you\'re uploading now ' 'might not include those changes.') ask_for_data('About to upload; enter to confirm.') print_stats(options.similarity, options.find_copies, args) if settings.GetIsGerrit(): return GerritUpload(options, args, cl, change) ret = RietveldUpload(options, args, cl, change) if not ret: git_set_branch_value('last-upload-hash', RunGit(['rev-parse', 'HEAD']).strip()) # Run post upload hooks, if specified. if settings.GetRunPostUploadHook(): presubmit_support.DoPostUploadExecuter( change, cl, settings.GetRoot(), options.verbose, sys.stdout) # Upload all dependencies if specified. if options.dependencies: print print '--dependencies has been specified.' print 'All dependent local branches will be re-uploaded.' print # Remove the dependencies flag from args so that we do not end up in a # loop. orig_args.remove('--dependencies') upload_branch_deps(cl, orig_args) return ret def IsSubmoduleMergeCommit(ref): # When submodules are added to the repo, we expect there to be a single # non-git-svn merge commit at remote HEAD with a signature comment. pattern = '^SVN changes up to revision [0-9]*$' cmd = ['rev-list', '--merges', '--grep=%s' % pattern, '%s^!' % ref] return RunGit(cmd) != '' def SendUpstream(parser, args, cmd): """Common code for CMDland and CmdDCommit Squashes branch into a single commit. Updates changelog with metadata (e.g. pointer to review). Pushes/dcommits the code upstream. Updates review and closes. """ parser.add_option('--bypass-hooks', action='store_true', dest='bypass_hooks', help='bypass upload presubmit hook') parser.add_option('-m', dest='message', help="override review description") parser.add_option('-f', action='store_true', dest='force', help="force yes to questions (don't prompt)") parser.add_option('-c', dest='contributor', help="external contributor for patch (appended to " + "description and used as author for git). Should be " + "formatted as 'First Last <email@example.com>'") add_git_similarity(parser) auth.add_auth_options(parser) (options, args) = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) cl = Changelist(auth_config=auth_config) current = cl.GetBranch() remote, upstream_branch = cl.FetchUpstreamTuple(cl.GetBranch()) if not settings.GetIsGitSvn() and remote == '.': print print 'Attempting to push branch %r into another local branch!' % current print print 'Either reparent this branch on top of origin/master:' print ' git reparent-branch --root' print print 'OR run `git rebase-update` if you think the parent branch is already' print 'committed.' print print ' Current parent: %r' % upstream_branch return 1 if not args or cmd == 'land': # Default to merging against our best guess of the upstream branch. args = [cl.GetUpstreamBranch()] if options.contributor: if not re.match('^.*\s<\S+@\S+>$', options.contributor): print "Please provide contibutor as 'First Last <email@example.com>'" return 1 base_branch = args[0] base_has_submodules = IsSubmoduleMergeCommit(base_branch) if git_common.is_dirty_git_tree(cmd): return 1 # This rev-list syntax means "show all commits not in my branch that # are in base_branch". upstream_commits = RunGit(['rev-list', '^' + cl.GetBranchRef(), base_branch]).splitlines() if upstream_commits: print ('Base branch "%s" has %d commits ' 'not in this branch.' % (base_branch, len(upstream_commits))) print 'Run "git merge %s" before attempting to %s.' % (base_branch, cmd) return 1 # This is the revision `svn dcommit` will commit on top of. svn_head = None if cmd == 'dcommit' or base_has_submodules: svn_head = RunGit(['log', '--grep=^git-svn-id:', '-1', '--pretty=format:%H']) if cmd == 'dcommit': # If the base_head is a submodule merge commit, the first parent of the # base_head should be a git-svn commit, which is what we're interested in. base_svn_head = base_branch if base_has_submodules: base_svn_head += '^1' extra_commits = RunGit(['rev-list', '^' + svn_head, base_svn_head]) if extra_commits: print ('This branch has %d additional commits not upstreamed yet.' % len(extra_commits.splitlines())) print ('Upstream "%s" or rebase this branch on top of the upstream trunk ' 'before attempting to %s.' % (base_branch, cmd)) return 1 merge_base = RunGit(['merge-base', base_branch, 'HEAD']).strip() if not options.bypass_hooks: author = None if options.contributor: author = re.search(r'\<(.*)\>', options.contributor).group(1) hook_results = cl.RunHook( committing=True, may_prompt=not options.force, verbose=options.verbose, change=cl.GetChange(merge_base, author)) if not hook_results.should_continue(): return 1 # Check the tree status if the tree status URL is set. status = GetTreeStatus() if 'closed' == status: print('The tree is closed. Please wait for it to reopen. Use ' '"git cl %s --bypass-hooks" to commit on a closed tree.' % cmd) return 1 elif 'unknown' == status: print('Unable to determine tree status. Please verify manually and ' 'use "git cl %s --bypass-hooks" to commit on a closed tree.' % cmd) return 1 else: breakpad.SendStack( 'GitClHooksBypassedCommit', 'Issue %s/%s bypassed hook when committing (tree status was "%s")' % (cl.GetRietveldServer(), cl.GetIssue(), GetTreeStatus()), verbose=False) change_desc = ChangeDescription(options.message) if not change_desc.description and cl.GetIssue(): change_desc = ChangeDescription(cl.GetDescription()) if not change_desc.description: if not cl.GetIssue() and options.bypass_hooks: change_desc = ChangeDescription(CreateDescriptionFromLog([merge_base])) else: print 'No description set.' print 'Visit %s/edit to set it.' % (cl.GetIssueURL()) return 1 # Keep a separate copy for the commit message, because the commit message # contains the link to the Rietveld issue, while the Rietveld message contains # the commit viewvc url. # Keep a separate copy for the commit message. if cl.GetIssue(): change_desc.update_reviewers(cl.GetApprovingReviewers()) commit_desc = ChangeDescription(change_desc.description) if cl.GetIssue(): # Xcode won't linkify this URL unless there is a non-whitespace character # after it. Add a period on a new line to circumvent this. Also add a space # before the period to make sure that Gitiles continues to correctly resolve # the URL. commit_desc.append_footer('Review URL: %s .' % cl.GetIssueURL()) if options.contributor: commit_desc.append_footer('Patch from %s.' % options.contributor) print('Description:') print(commit_desc.description) branches = [merge_base, cl.GetBranchRef()] if not options.force: print_stats(options.similarity, options.find_copies, branches) # We want to squash all this branch's commits into one commit with the proper # description. We do this by doing a "reset --soft" to the base branch (which # keeps the working copy the same), then dcommitting that. If origin/master # has a submodule merge commit, we'll also need to cherry-pick the squashed # commit onto a branch based on the git-svn head. MERGE_BRANCH = 'git-cl-commit' CHERRY_PICK_BRANCH = 'git-cl-cherry-pick' # Delete the branches if they exist. for branch in [MERGE_BRANCH, CHERRY_PICK_BRANCH]: showref_cmd = ['show-ref', '--quiet', '--verify', 'refs/heads/%s' % branch] result = RunGitWithCode(showref_cmd) if result[0] == 0: RunGit(['branch', '-D', branch]) # We might be in a directory that's present in this branch but not in the # trunk. Move up to the top of the tree so that git commands that expect a # valid CWD won't fail after we check out the merge branch. rel_base_path = settings.GetRelativeRoot() if rel_base_path: os.chdir(rel_base_path) # Stuff our change into the merge branch. # We wrap in a try...finally block so if anything goes wrong, # we clean up the branches. retcode = -1 pushed_to_pending = False pending_ref = None revision = None try: RunGit(['checkout', '-q', '-b', MERGE_BRANCH]) RunGit(['reset', '--soft', merge_base]) if options.contributor: RunGit( [ 'commit', '--author', options.contributor, '-m', commit_desc.description, ]) else: RunGit(['commit', '-m', commit_desc.description]) if base_has_submodules: cherry_pick_commit = RunGit(['rev-list', 'HEAD^!']).rstrip() RunGit(['branch', CHERRY_PICK_BRANCH, svn_head]) RunGit(['checkout', CHERRY_PICK_BRANCH]) RunGit(['cherry-pick', cherry_pick_commit]) if cmd == 'land': remote, branch = cl.FetchUpstreamTuple(cl.GetBranch()) pending_prefix = settings.GetPendingRefPrefix() if not pending_prefix or branch.startswith(pending_prefix): # If not using refs/pending/heads/* at all, or target ref is already set # to pending, then push to the target ref directly. retcode, output = RunGitWithCode( ['push', '--porcelain', remote, 'HEAD:%s' % branch]) pushed_to_pending = pending_prefix and branch.startswith(pending_prefix) else: # Cherry-pick the change on top of pending ref and then push it. assert branch.startswith('refs/'), branch assert pending_prefix[-1] == '/', pending_prefix pending_ref = pending_prefix + branch[len('refs/'):] retcode, output = PushToGitPending(remote, pending_ref, branch) pushed_to_pending = (retcode == 0) if retcode == 0: revision = RunGit(['rev-parse', 'HEAD']).strip() else: # dcommit the merge branch. cmd_args = [ 'svn', 'dcommit', '-C%s' % options.similarity, '--no-rebase', '--rmdir', ] if settings.GetForceHttpsCommitUrl(): # Allow forcing https commit URLs for some projects that don't allow # committing to http URLs (like Google Code). remote_url = cl.GetGitSvnRemoteUrl() if urlparse.urlparse(remote_url).scheme == 'http': remote_url = remote_url.replace('http://', 'https://') cmd_args.append('--commit-url=%s' % remote_url) _, output = RunGitWithCode(cmd_args) if 'Committed r' in output: revision = re.match( '.*?\nCommitted r(\\d+)', output, re.DOTALL).group(1) logging.debug(output) finally: # And then swap back to the original branch and clean up. RunGit(['checkout', '-q', cl.GetBranch()]) RunGit(['branch', '-D', MERGE_BRANCH]) if base_has_submodules: RunGit(['branch', '-D', CHERRY_PICK_BRANCH]) if not revision: print 'Failed to push. If this persists, please file a bug.' return 1 killed = False if pushed_to_pending: try: revision = WaitForRealCommit(remote, revision, base_branch, branch) # We set pushed_to_pending to False, since it made it all the way to the # real ref. pushed_to_pending = False except KeyboardInterrupt: killed = True if cl.GetIssue(): to_pending = ' to pending queue' if pushed_to_pending else '' viewvc_url = settings.GetViewVCUrl() if not to_pending: if viewvc_url and revision: change_desc.append_footer( 'Committed: %s%s' % (viewvc_url, revision)) elif revision: change_desc.append_footer('Committed: %s' % (revision,)) print ('Closing issue ' '(you may be prompted for your codereview password)...') cl.UpdateDescription(change_desc.description) cl.CloseIssue() props = cl.GetIssueProperties() patch_num = len(props['patchsets']) comment = "Committed patchset #%d (id:%d)%s manually as %s" % ( patch_num, props['patchsets'][-1], to_pending, revision) if options.bypass_hooks: comment += ' (tree was closed).' if GetTreeStatus() == 'closed' else '.' else: comment += ' (presubmit successful).' cl.RpcServer().add_comment(cl.GetIssue(), comment) cl.SetIssue(None) if pushed_to_pending: _, branch = cl.FetchUpstreamTuple(cl.GetBranch()) print 'The commit is in the pending queue (%s).' % pending_ref print ( 'It will show up on %s in ~1 min, once it gets a Cr-Commit-Position ' 'footer.' % branch) hook = POSTUPSTREAM_HOOK_PATTERN % cmd if os.path.isfile(hook): RunCommand([hook, merge_base], error_ok=True) return 1 if killed else 0 def WaitForRealCommit(remote, pushed_commit, local_base_ref, real_ref): print print 'Waiting for commit to be landed on %s...' % real_ref print '(If you are impatient, you may Ctrl-C once without harm)' target_tree = RunGit(['rev-parse', '%s:' % pushed_commit]).strip() current_rev = RunGit(['rev-parse', local_base_ref]).strip() loop = 0 while True: sys.stdout.write('fetching (%d)... \r' % loop) sys.stdout.flush() loop += 1 RunGit(['retry', 'fetch', remote, real_ref], stderr=subprocess2.VOID) to_rev = RunGit(['rev-parse', 'FETCH_HEAD']).strip() commits = RunGit(['rev-list', '%s..%s' % (current_rev, to_rev)]) for commit in commits.splitlines(): if RunGit(['rev-parse', '%s:' % commit]).strip() == target_tree: print 'Found commit on %s' % real_ref return commit current_rev = to_rev def PushToGitPending(remote, pending_ref, upstream_ref): """Fetches pending_ref, cherry-picks current HEAD on top of it, pushes. Returns: (retcode of last operation, output log of last operation). """ assert pending_ref.startswith('refs/'), pending_ref local_pending_ref = 'refs/git-cl/' + pending_ref[len('refs/'):] cherry = RunGit(['rev-parse', 'HEAD']).strip() code = 0 out = '' max_attempts = 3 attempts_left = max_attempts while attempts_left: if attempts_left != max_attempts: print 'Retrying, %d attempts left...' % (attempts_left - 1,) attempts_left -= 1 # Fetch. Retry fetch errors. print 'Fetching pending ref %s...' % pending_ref code, out = RunGitWithCode( ['retry', 'fetch', remote, '+%s:%s' % (pending_ref, local_pending_ref)]) if code: print 'Fetch failed with exit code %d.' % code if out.strip(): print out.strip() continue # Try to cherry pick. Abort on merge conflicts. print 'Cherry-picking commit on top of pending ref...' RunGitWithCode(['checkout', local_pending_ref], suppress_stderr=True) code, out = RunGitWithCode(['cherry-pick', cherry]) if code: print ( 'Your patch doesn\'t apply cleanly to ref \'%s\', ' 'the following files have merge conflicts:' % pending_ref) print RunGit(['diff', '--name-status', '--diff-filter=U']).strip() print 'Please rebase your patch and try again.' RunGitWithCode(['cherry-pick', '--abort']) return code, out # Applied cleanly, try to push now. Retry on error (flake or non-ff push). print 'Pushing commit to %s... It can take a while.' % pending_ref code, out = RunGitWithCode( ['retry', 'push', '--porcelain', remote, 'HEAD:%s' % pending_ref]) if code == 0: # Success. print 'Commit pushed to pending ref successfully!' return code, out print 'Push failed with exit code %d.' % code if out.strip(): print out.strip() if IsFatalPushFailure(out): print ( 'Fatal push error. Make sure your .netrc credentials and git ' 'user.email are correct and you have push access to the repo.') return code, out print 'All attempts to push to pending ref failed.' return code, out def IsFatalPushFailure(push_stdout): """True if retrying push won't help.""" return '(prohibited by Gerrit)' in push_stdout @subcommand.usage('[upstream branch to apply against]') def CMDdcommit(parser, args): """Commits the current changelist via git-svn.""" if not settings.GetIsGitSvn(): if get_footer_svn_id(): # If it looks like previous commits were mirrored with git-svn. message = """This repository appears to be a git-svn mirror, but no upstream SVN master is set. You probably need to run 'git auto-svn' once.""" else: message = """This doesn't appear to be an SVN repository. If your project has a true, writeable git repository, you probably want to run 'git cl land' instead. If your project has a git mirror of an upstream SVN master, you probably need to run 'git svn init'. Using the wrong command might cause your commit to appear to succeed, and the review to be closed, without actually landing upstream. If you choose to proceed, please verify that the commit lands upstream as expected.""" print(message) ask_for_data('[Press enter to dcommit or ctrl-C to quit]') return SendUpstream(parser, args, 'dcommit') @subcommand.usage('[upstream branch to apply against]') def CMDland(parser, args): """Commits the current changelist via git.""" if settings.GetIsGitSvn() or get_footer_svn_id(): print('This appears to be an SVN repository.') print('Are you sure you didn\'t mean \'git cl dcommit\'?') print('(Ignore if this is the first commit after migrating from svn->git)') ask_for_data('[Press enter to push or ctrl-C to quit]') return SendUpstream(parser, args, 'land') def ParseIssueNum(arg): """Parses the issue number from args if present otherwise returns None.""" if re.match(r'\d+', arg): return arg if arg.startswith('http'): return re.sub(r'.*/(\d+)/?', r'\1', arg) return None @subcommand.usage('<patch url or issue id or issue url>') def CMDpatch(parser, args): """Patches in a code review.""" parser.add_option('-b', dest='newbranch', help='create a new branch off trunk for the patch') parser.add_option('-f', '--force', action='store_true', help='with -b, clobber any existing branch') parser.add_option('-d', '--directory', action='store', metavar='DIR', help='Change to the directory DIR immediately, ' 'before doing anything else.') parser.add_option('--reject', action='store_true', help='failed patches spew .rej files rather than ' 'attempting a 3-way merge') parser.add_option('-n', '--no-commit', action='store_true', dest='nocommit', help="don't commit after patch applies") auth.add_auth_options(parser) (options, args) = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) if len(args) != 1: parser.print_help() return 1 issue_arg = ParseIssueNum(args[0]) # The patch URL works because ParseIssueNum won't do any substitution # as the re.sub pattern fails to match and just returns it. if issue_arg == None: parser.print_help() return 1 # We don't want uncommitted changes mixed up with the patch. if git_common.is_dirty_git_tree('patch'): return 1 # TODO(maruel): Use apply_issue.py # TODO(ukai): use gerrit-cherry-pick for gerrit repository? if options.newbranch: if options.force: RunGit(['branch', '-D', options.newbranch], stderr=subprocess2.PIPE, error_ok=True) RunGit(['checkout', '-b', options.newbranch, Changelist().GetUpstreamBranch()]) return PatchIssue(issue_arg, options.reject, options.nocommit, options.directory, auth_config) def PatchIssue(issue_arg, reject, nocommit, directory, auth_config): # PatchIssue should never be called with a dirty tree. It is up to the # caller to check this, but just in case we assert here since the # consequences of the caller not checking this could be dire. assert(not git_common.is_dirty_git_tree('apply')) if type(issue_arg) is int or issue_arg.isdigit(): # Input is an issue id. Figure out the URL. issue = int(issue_arg) cl = Changelist(issue=issue, auth_config=auth_config) patchset = cl.GetMostRecentPatchset() patch_data = cl.GetPatchSetDiff(issue, patchset) else: # Assume it's a URL to the patch. Default to https. issue_url = gclient_utils.UpgradeToHttps(issue_arg) match = re.match(r'(.*?)/download/issue(\d+)_(\d+).diff', issue_url) if not match: DieWithError('Must pass an issue ID or full URL for ' '\'Download raw patch set\'') issue = int(match.group(2)) cl = Changelist(issue=issue, auth_config=auth_config) cl.rietveld_server = match.group(1) patchset = int(match.group(3)) patch_data = urllib2.urlopen(issue_arg).read() # Switch up to the top-level directory, if necessary, in preparation for # applying the patch. top = settings.GetRelativeRoot() if top: os.chdir(top) # Git patches have a/ at the beginning of source paths. We strip that out # with a sed script rather than the -p flag to patch so we can feed either # Git or svn-style patches into the same apply command. # re.sub() should be used but flags=re.MULTILINE is only in python 2.7. try: patch_data = subprocess2.check_output( ['sed', '-e', 's|^--- a/|--- |; s|^+++ b/|+++ |'], stdin=patch_data) except subprocess2.CalledProcessError: DieWithError('Git patch mungling failed.') logging.info(patch_data) # We use "git apply" to apply the patch instead of "patch" so that we can # pick up file adds. # The --index flag means: also insert into the index (so we catch adds). cmd = ['git', 'apply', '--index', '-p0'] if directory: cmd.extend(('--directory', directory)) if reject: cmd.append('--reject') elif IsGitVersionAtLeast('1.7.12'): cmd.append('--3way') try: subprocess2.check_call(cmd, env=GetNoGitPagerEnv(), stdin=patch_data, stdout=subprocess2.VOID) except subprocess2.CalledProcessError: print 'Failed to apply the patch' return 1 # If we had an issue, commit the current state and register the issue. if not nocommit: RunGit(['commit', '-m', (cl.GetDescription() + '\n\n' + 'patch from issue %(i)s at patchset ' '%(p)s (http://crrev.com/%(i)s#ps%(p)s)' % {'i': issue, 'p': patchset})]) cl = Changelist(auth_config=auth_config) cl.SetIssue(issue) cl.SetPatchset(patchset) print "Committed patch locally." else: print "Patch applied to index." return 0 def CMDrebase(parser, args): """Rebases current branch on top of svn repo.""" # Provide a wrapper for git svn rebase to help avoid accidental # git svn dcommit. # It's the only command that doesn't use parser at all since we just defer # execution to git-svn. return RunGitWithCode(['svn', 'rebase'] + args)[1] def GetTreeStatus(url=None): """Fetches the tree status and returns either 'open', 'closed', 'unknown' or 'unset'.""" url = url or settings.GetTreeStatusUrl(error_ok=True) if url: status = urllib2.urlopen(url).read().lower() if status.find('closed') != -1 or status == '0': return 'closed' elif status.find('open') != -1 or status == '1': return 'open' return 'unknown' return 'unset' def GetTreeStatusReason(): """Fetches the tree status from a json url and returns the message with the reason for the tree to be opened or closed.""" url = settings.GetTreeStatusUrl() json_url = urlparse.urljoin(url, '/current?format=json') connection = urllib2.urlopen(json_url) status = json.loads(connection.read()) connection.close() return status['message'] def GetBuilderMaster(bot_list): """For a given builder, fetch the master from AE if available.""" map_url = 'https://builders-map.appspot.com/' try: master_map = json.load(urllib2.urlopen(map_url)) except urllib2.URLError as e: return None, ('Failed to fetch builder-to-master map from %s. Error: %s.' % (map_url, e)) except ValueError as e: return None, ('Invalid json string from %s. Error: %s.' % (map_url, e)) if not master_map: return None, 'Failed to build master map.' result_master = '' for bot in bot_list: builder = bot.split(':', 1)[0] master_list = master_map.get(builder, []) if not master_list: return None, ('No matching master for builder %s.' % builder) elif len(master_list) > 1: return None, ('The builder name %s exists in multiple masters %s.' % (builder, master_list)) else: cur_master = master_list[0] if not result_master: result_master = cur_master elif result_master != cur_master: return None, 'The builders do not belong to the same master.' return result_master, None def CMDtree(parser, args): """Shows the status of the tree.""" _, args = parser.parse_args(args) status = GetTreeStatus() if 'unset' == status: print 'You must configure your tree status URL by running "git cl config".' return 2 print "The tree is %s" % status print print GetTreeStatusReason() if status != 'open': return 1 return 0 def CMDtry(parser, args): """Triggers a try job through BuildBucket.""" group = optparse.OptionGroup(parser, "Try job options") group.add_option( "-b", "--bot", action="append", help=("IMPORTANT: specify ONE builder per --bot flag. Use it multiple " "times to specify multiple builders. ex: " "'-b win_rel -b win_layout'. See " "the try server waterfall for the builders name and the tests " "available.")) group.add_option( "-m", "--master", default='', help=("Specify a try master where to run the tries.")) group.add_option( "--luci", action='store_true') group.add_option( "-r", "--revision", help="Revision to use for the try job; default: the " "revision will be determined by the try server; see " "its waterfall for more info") group.add_option( "-c", "--clobber", action="store_true", default=False, help="Force a clobber before building; e.g. don't do an " "incremental build") group.add_option( "--project", help="Override which project to use. Projects are defined " "server-side to define what default bot set to use") group.add_option( "-p", "--property", dest="properties", action="append", default=[], help="Specify generic properties in the form -p key1=value1 -p " "key2=value2 etc (buildbucket only). The value will be treated as " "json if decodable, or as string otherwise.") group.add_option( "-n", "--name", help="Try job name; default to current branch name") group.add_option( "--use-rietveld", action="store_true", default=False, help="Use Rietveld to trigger try jobs.") group.add_option( "--buildbucket-host", default='cr-buildbucket.appspot.com', help="Host of buildbucket. The default host is %default.") parser.add_option_group(group) auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) if options.use_rietveld and options.properties: parser.error('Properties can only be specified with buildbucket') # Make sure that all properties are prop=value pairs. bad_params = [x for x in options.properties if '=' not in x] if bad_params: parser.error('Got properties with missing "=": %s' % bad_params) if args: parser.error('Unknown arguments: %s' % args) cl = Changelist(auth_config=auth_config) if not cl.GetIssue(): parser.error('Need to upload first') props = cl.GetIssueProperties() if props.get('closed'): parser.error('Cannot send tryjobs for a closed CL') if props.get('private'): parser.error('Cannot use trybots with private issue') if not options.name: options.name = cl.GetBranch() if options.bot and not options.master: options.master, err_msg = GetBuilderMaster(options.bot) if err_msg: parser.error('Tryserver master cannot be found because: %s\n' 'Please manually specify the tryserver master' ', e.g. "-m tryserver.chromium.linux".' % err_msg) def GetMasterMap(): # Process --bot. if not options.bot: change = cl.GetChange(cl.GetCommonAncestorWithUpstream(), None) # Get try masters from PRESUBMIT.py files. masters = presubmit_support.DoGetTryMasters( change, change.LocalPaths(), settings.GetRoot(), None, None, options.verbose, sys.stdout) if masters: return masters # Fall back to deprecated method: get try slaves from PRESUBMIT.py files. options.bot = presubmit_support.DoGetTrySlaves( change, change.LocalPaths(), settings.GetRoot(), None, None, options.verbose, sys.stdout) if not options.bot: parser.error('No default try builder to try, use --bot') builders_and_tests = {} # TODO(machenbach): The old style command-line options don't support # multiple try masters yet. old_style = filter(lambda x: isinstance(x, basestring), options.bot) new_style = filter(lambda x: isinstance(x, tuple), options.bot) for bot in old_style: if ':' in bot: parser.error('Specifying testfilter is no longer supported') elif ',' in bot: parser.error('Specify one bot per --bot flag') else: builders_and_tests.setdefault(bot, []).append('defaulttests') for bot, tests in new_style: builders_and_tests.setdefault(bot, []).extend(tests) # Return a master map with one master to be backwards compatible. The # master name defaults to an empty string, which will cause the master # not to be set on rietveld (deprecated). return {options.master: builders_and_tests} masters = GetMasterMap() for builders in masters.itervalues(): if any('triggered' in b for b in builders): print >> sys.stderr, ( 'ERROR You are trying to send a job to a triggered bot. This type of' ' bot requires an\ninitial job from a parent (usually a builder). ' 'Instead send your job to the parent.\n' 'Bot list: %s' % builders) return 1 patchset = cl.GetMostRecentPatchset() if patchset and patchset != cl.GetPatchset(): print( '\nWARNING Mismatch between local config and server. Did a previous ' 'upload fail?\ngit-cl try always uses latest patchset from rietveld. ' 'Continuing using\npatchset %s.\n' % patchset) if options.luci: trigger_luci_job(cl, masters, options) elif not options.use_rietveld: try: trigger_try_jobs(auth_config, cl, options, masters, 'git_cl_try') except BuildbucketResponseException as ex: print 'ERROR: %s' % ex return 1 except Exception as e: stacktrace = (''.join(traceback.format_stack()) + traceback.format_exc()) print 'ERROR: Exception when trying to trigger tryjobs: %s\n%s' % ( e, stacktrace) return 1 else: try: cl.RpcServer().trigger_distributed_try_jobs( cl.GetIssue(), patchset, options.name, options.clobber, options.revision, masters) except urllib2.HTTPError as e: if e.code == 404: print('404 from rietveld; ' 'did you mean to use "git try" instead of "git cl try"?') return 1 print('Tried jobs on:') for (master, builders) in sorted(masters.iteritems()): if master: print 'Master: %s' % master length = max(len(builder) for builder in builders) for builder in sorted(builders): print ' %*s: %s' % (length, builder, ','.join(builders[builder])) return 0 @subcommand.usage('[new upstream branch]') def CMDupstream(parser, args): """Prints or sets the name of the upstream branch, if any.""" _, args = parser.parse_args(args) if len(args) > 1: parser.error('Unrecognized args: %s' % ' '.join(args)) cl = Changelist() if args: # One arg means set upstream branch. branch = cl.GetBranch() RunGit(['branch', '--set-upstream', branch, args[0]]) cl = Changelist() print "Upstream branch set to " + cl.GetUpstreamBranch() # Clear configured merge-base, if there is one. git_common.remove_merge_base(branch) else: print cl.GetUpstreamBranch() return 0 def CMDweb(parser, args): """Opens the current CL in the web browser.""" _, args = parser.parse_args(args) if args: parser.error('Unrecognized args: %s' % ' '.join(args)) issue_url = Changelist().GetIssueURL() if not issue_url: print >> sys.stderr, 'ERROR No issue to open' return 1 webbrowser.open(issue_url) return 0 def CMDset_commit(parser, args): """Sets the commit bit to trigger the Commit Queue.""" auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) if args: parser.error('Unrecognized args: %s' % ' '.join(args)) cl = Changelist(auth_config=auth_config) props = cl.GetIssueProperties() if props.get('private'): parser.error('Cannot set commit on private issue') cl.SetFlag('commit', '1') return 0 def CMDset_close(parser, args): """Closes the issue.""" auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) if args: parser.error('Unrecognized args: %s' % ' '.join(args)) cl = Changelist(auth_config=auth_config) # Ensure there actually is an issue to close. cl.GetDescription() cl.CloseIssue() return 0 def CMDdiff(parser, args): """Shows differences between local tree and last upload.""" auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) if args: parser.error('Unrecognized args: %s' % ' '.join(args)) # Uncommitted (staged and unstaged) changes will be destroyed by # "git reset --hard" if there are merging conflicts in PatchIssue(). # Staged changes would be committed along with the patch from last # upload, hence counted toward the "last upload" side in the final # diff output, and this is not what we want. if git_common.is_dirty_git_tree('diff'): return 1 cl = Changelist(auth_config=auth_config) issue = cl.GetIssue() branch = cl.GetBranch() if not issue: DieWithError('No issue found for current branch (%s)' % branch) TMP_BRANCH = 'git-cl-diff' base_branch = cl.GetCommonAncestorWithUpstream() # Create a new branch based on the merge-base RunGit(['checkout', '-q', '-b', TMP_BRANCH, base_branch]) try: # Patch in the latest changes from rietveld. rtn = PatchIssue(issue, False, False, None, auth_config) if rtn != 0: RunGit(['reset', '--hard']) return rtn # Switch back to starting branch and diff against the temporary # branch containing the latest rietveld patch. subprocess2.check_call(['git', 'diff', TMP_BRANCH, branch, '--']) finally: RunGit(['checkout', '-q', branch]) RunGit(['branch', '-D', TMP_BRANCH]) return 0 def CMDowners(parser, args): """Interactively find the owners for reviewing.""" parser.add_option( '--no-color', action='store_true', help='Use this option to disable color output') auth.add_auth_options(parser) options, args = parser.parse_args(args) auth_config = auth.extract_auth_config_from_options(options) author = RunGit(['config', 'user.email']).strip() or None cl = Changelist(auth_config=auth_config) if args: if len(args) > 1: parser.error('Unknown args') base_branch = args[0] else: # Default to diffing against the common ancestor of the upstream branch. base_branch = cl.GetCommonAncestorWithUpstream() change = cl.GetChange(base_branch, None) return owners_finder.OwnersFinder( [f.LocalPath() for f in cl.GetChange(base_branch, None).AffectedFiles()], change.RepositoryRoot(), author, fopen=file, os_path=os.path, glob=glob.glob, disable_color=options.no_color).run() def BuildGitDiffCmd(diff_type, upstream_commit, args, extensions): """Generates a diff command.""" # Generate diff for the current branch's changes. diff_cmd = ['diff', '--no-ext-diff', '--no-prefix', diff_type, upstream_commit, '--' ] if args: for arg in args: if os.path.isdir(arg): diff_cmd.extend(os.path.join(arg, '*' + ext) for ext in extensions) elif os.path.isfile(arg): diff_cmd.append(arg) else: DieWithError('Argument "%s" is not a file or a directory' % arg) else: diff_cmd.extend('*' + ext for ext in extensions) return diff_cmd @subcommand.usage('[files or directories to diff]') def CMDformat(parser, args): """Runs auto-formatting tools (clang-format etc.) on the diff.""" CLANG_EXTS = ['.cc', '.cpp', '.h', '.mm', '.proto', '.java'] parser.add_option('--full', action='store_true', help='Reformat the full content of all touched files') parser.add_option('--dry-run', action='store_true', help='Don\'t modify any file on disk.') parser.add_option('--python', action='store_true', help='Format python code with yapf (experimental).') parser.add_option('--diff', action='store_true', help='Print diff to stdout rather than modifying files.') opts, args = parser.parse_args(args) # git diff generates paths against the root of the repository. Change # to that directory so clang-format can find files even within subdirs. rel_base_path = settings.GetRelativeRoot() if rel_base_path: os.chdir(rel_base_path) # Grab the merge-base commit, i.e. the upstream commit of the current # branch when it was created or the last time it was rebased. This is # to cover the case where the user may have called "git fetch origin", # moving the origin branch to a newer commit, but hasn't rebased yet. upstream_commit = None cl = Changelist() upstream_branch = cl.GetUpstreamBranch() if upstream_branch: upstream_commit = RunGit(['merge-base', 'HEAD', upstream_branch]) upstream_commit = upstream_commit.strip() if not upstream_commit: DieWithError('Could not find base commit for this branch. ' 'Are you in detached state?') if opts.full: # Only list the names of modified files. diff_type = '--name-only' else: # Only generate context-less patches. diff_type = '-U0' diff_cmd = BuildGitDiffCmd(diff_type, upstream_commit, args, CLANG_EXTS) diff_output = RunGit(diff_cmd) top_dir = os.path.normpath( RunGit(["rev-parse", "--show-toplevel"]).rstrip('\n')) # Locate the clang-format binary in the checkout try: clang_format_tool = clang_format.FindClangFormatToolInChromiumTree() except clang_format.NotFoundError, e: DieWithError(e) # Set to 2 to signal to CheckPatchFormatted() that this patch isn't # formatted. This is used to block during the presubmit. return_value = 0 if opts.full: # diff_output is a list of files to send to clang-format. files = diff_output.splitlines() if files: cmd = [clang_format_tool] if not opts.dry_run and not opts.diff: cmd.append('-i') stdout = RunCommand(cmd + files, cwd=top_dir) if opts.diff: sys.stdout.write(stdout) else: env = os.environ.copy() env['PATH'] = str(os.path.dirname(clang_format_tool)) # diff_output is a patch to send to clang-format-diff.py try: script = clang_format.FindClangFormatScriptInChromiumTree( 'clang-format-diff.py') except clang_format.NotFoundError, e: DieWithError(e) cmd = [sys.executable, script, '-p0'] if not opts.dry_run and not opts.diff: cmd.append('-i') stdout = RunCommand(cmd, stdin=diff_output, cwd=top_dir, env=env) if opts.diff: sys.stdout.write(stdout) if opts.dry_run and len(stdout) > 0: return_value = 2 # Similar code to above, but using yapf on .py files rather than clang-format # on C/C++ files if opts.python: diff_cmd = BuildGitDiffCmd(diff_type, upstream_commit, args, ['.py']) diff_output = RunGit(diff_cmd) yapf_tool = gclient_utils.FindExecutable('yapf') if yapf_tool is None: DieWithError('yapf not found in PATH') if opts.full: files = diff_output.splitlines() if files: cmd = [yapf_tool] if not opts.dry_run and not opts.diff: cmd.append('-i') stdout = RunCommand(cmd + files, cwd=top_dir) if opts.diff: sys.stdout.write(stdout) else: # TODO(sbc): yapf --lines mode still has some issues. # https://github.com/google/yapf/issues/154 DieWithError('--python currently only works with --full') # Build a diff command that only operates on dart files. dart's formatter # does not have the nice property of only operating on modified chunks, so # hard code full. dart_diff_cmd = BuildGitDiffCmd('--name-only', upstream_commit, args, ['.dart']) dart_diff_output = RunGit(dart_diff_cmd) if dart_diff_output: try: command = [dart_format.FindDartFmtToolInChromiumTree()] if not opts.dry_run and not opts.diff: command.append('-w') command.extend(dart_diff_output.splitlines()) stdout = RunCommand(command, cwd=top_dir, env=env) if opts.dry_run and stdout: return_value = 2 except dart_format.NotFoundError as e: print ('Unable to check dart code formatting. Dart SDK is not in ' + 'this checkout.') return return_value @subcommand.usage('<codereview url or issue id>') def CMDcheckout(parser, args): """Checks out a branch associated with a given Rietveld issue.""" _, args = parser.parse_args(args) if len(args) != 1: parser.print_help() return 1 target_issue = ParseIssueNum(args[0]) if target_issue == None: parser.print_help() return 1 key_and_issues = [x.split() for x in RunGit( ['config', '--local', '--get-regexp', r'branch\..*\.rietveldissue']) .splitlines()] branches = [] for key, issue in key_and_issues: if issue == target_issue: branches.append(re.sub(r'branch\.(.*)\.rietveldissue', r'\1', key)) if len(branches) == 0: print 'No branch found for issue %s.' % target_issue return 1 if len(branches) == 1: RunGit(['checkout', branches[0]]) else: print 'Multiple branches match issue %s:' % target_issue for i in range(len(branches)): print '%d: %s' % (i, branches[i]) which = raw_input('Choose by index: ') try: RunGit(['checkout', branches[int(which)]]) except (IndexError, ValueError): print 'Invalid selection, not checking out any branch.' return 1 return 0 def CMDlol(parser, args): # This command is intentionally undocumented. print zlib.decompress(base64.b64decode( 'eNptkLEOwyAMRHe+wupCIqW57v0Vq84WqWtXyrcXnCBsmgMJ+/SSAxMZgRB6NzE' 'E2ObgCKJooYdu4uAQVffUEoE1sRQLxAcqzd7uK2gmStrll1ucV3uZyaY5sXyDd9' 'JAnN+lAXsOMJ90GANAi43mq5/VeeacylKVgi8o6F1SC63FxnagHfJUTfUYdCR/W' 'Ofe+0dHL7PicpytKP750Fh1q2qnLVof4w8OZWNY')) return 0 class OptionParser(optparse.OptionParser): """Creates the option parse and add --verbose support.""" def __init__(self, *args, **kwargs): optparse.OptionParser.__init__( self, *args, prog='git cl', version=__version__, **kwargs) self.add_option( '-v', '--verbose', action='count', default=0, help='Use 2 times for more debugging info') def parse_args(self, args=None, values=None): options, args = optparse.OptionParser.parse_args(self, args, values) levels = [logging.WARNING, logging.INFO, logging.DEBUG] logging.basicConfig(level=levels[min(options.verbose, len(levels) - 1)]) return options, args def main(argv): if sys.hexversion < 0x02060000: print >> sys.stderr, ( '\nYour python version %s is unsupported, please upgrade.\n' % sys.version.split(' ', 1)[0]) return 2 # Reload settings. global settings settings = Settings() colorize_CMDstatus_doc() dispatcher = subcommand.CommandDispatcher(__name__) try: return dispatcher.execute(OptionParser(), argv) except auth.AuthenticationError as e: DieWithError(str(e)) except urllib2.HTTPError, e: if e.code != 500: raise DieWithError( ('AppEngine is misbehaving and returned HTTP %d, again. Keep faith ' 'and retry or visit go/isgaeup.\n%s') % (e.code, str(e))) return 0 if __name__ == '__main__': # These affect sys.stdout so do it outside of main() to simplify mocks in # unit testing. fix_encoding.fix_encoding() colorama.init() try: sys.exit(main(sys.argv[1:])) except KeyboardInterrupt: sys.stderr.write('interrupted\n') sys.exit(1)
Midrya/chromium
git_cl.py
Python
bsd-3-clause
133,721
[ "VisIt" ]
7205429025983a82faf9602b425c787a3ab8e15990a0ba7558b8e75bdb49154b
#!/usr/bin/env python import os try: __IPYTHON__ import sys del sys.argv[1:] except: pass import srwl_bl import srwlib import srwlpy import math import srwl_uti_smp def set_optics(v=None): el = [] pp = [] names = ['Aperture', 'Aperture_Watchpoint', 'Watchpoint'] for el_name in names: if el_name == 'Aperture': # Aperture: aperture 33.1798m el.append(srwlib.SRWLOptA( _shape=v.op_Aperture_shape, _ap_or_ob='a', _Dx=v.op_Aperture_Dx, _Dy=v.op_Aperture_Dy, _x=v.op_Aperture_x, _y=v.op_Aperture_y, )) pp.append(v.op_Aperture_pp) elif el_name == 'Aperture_Watchpoint': # Aperture_Watchpoint: drift 33.1798m el.append(srwlib.SRWLOptD( _L=v.op_Aperture_Watchpoint_L, )) pp.append(v.op_Aperture_Watchpoint_pp) elif el_name == 'Watchpoint': # Watchpoint: watch 45.0m pass pp.append(v.op_fin_pp) return srwlib.SRWLOptC(el, pp) varParam = [ ['name', 's', 'Tabulated Undulator Example', 'simulation name'], #---Data Folder ['fdir', 's', '', 'folder (directory) name for reading-in input and saving output data files'], #---Electron Beam ['ebm_nm', 's', '', 'standard electron beam name'], ['ebm_nms', 's', '', 'standard electron beam name suffix: e.g. can be Day1, Final'], ['ebm_i', 'f', 0.5, 'electron beam current [A]'], ['ebm_e', 'f', 3.0, 'electron beam avarage energy [GeV]'], ['ebm_de', 'f', 0.0, 'electron beam average energy deviation [GeV]'], ['ebm_x', 'f', 0.0, 'electron beam initial average horizontal position [m]'], ['ebm_y', 'f', 0.0, 'electron beam initial average vertical position [m]'], ['ebm_xp', 'f', 0.0, 'electron beam initial average horizontal angle [rad]'], ['ebm_yp', 'f', 0.0, 'electron beam initial average vertical angle [rad]'], ['ebm_z', 'f', 0., 'electron beam initial average longitudinal position [m]'], ['ebm_dr', 'f', 0.0, 'electron beam longitudinal drift [m] to be performed before a required calculation'], ['ebm_ens', 'f', 0.0007, 'electron beam relative energy spread'], ['ebm_emx', 'f', 1.5e-09, 'electron beam horizontal emittance [m]'], ['ebm_emy', 'f', 8e-12, 'electron beam vertical emittance [m]'], # Definition of the beam through Twiss: ['ebm_betax', 'f', 1.84, 'horizontal beta-function [m]'], ['ebm_betay', 'f', 1.17, 'vertical beta-function [m]'], ['ebm_alphax', 'f', 0.0, 'horizontal alpha-function [rad]'], ['ebm_alphay', 'f', 0.0, 'vertical alpha-function [rad]'], ['ebm_etax', 'f', 0.0, 'horizontal dispersion function [m]'], ['ebm_etay', 'f', 0.0, 'vertical dispersion function [m]'], ['ebm_etaxp', 'f', 0.0, 'horizontal dispersion function derivative [rad]'], ['ebm_etayp', 'f', 0.0, 'vertical dispersion function derivative [rad]'], #---Undulator ['und_bx', 'f', 0.0, 'undulator horizontal peak magnetic field [T]'], ['und_by', 'f', 0.88770981, 'undulator vertical peak magnetic field [T]'], ['und_phx', 'f', 0.0, 'initial phase of the horizontal magnetic field [rad]'], ['und_phy', 'f', 0.0, 'initial phase of the vertical magnetic field [rad]'], ['und_b2e', '', '', 'estimate undulator fundamental photon energy (in [eV]) for the amplitude of sinusoidal magnetic field defined by und_b or und_bx, und_by', 'store_true'], ['und_e2b', '', '', 'estimate undulator field amplitude (in [T]) for the photon energy defined by w_e', 'store_true'], ['und_per', 'f', 0.02, 'undulator period [m]'], ['und_len', 'f', 3.0, 'undulator length [m]'], ['und_zc', 'f', 1.305, 'undulator center longitudinal position [m]'], ['und_sx', 'i', 1, 'undulator horizontal magnetic field symmetry vs longitudinal position'], ['und_sy', 'i', -1, 'undulator vertical magnetic field symmetry vs longitudinal position'], ['und_g', 'f', 6.72, 'undulator gap [mm] (assumes availability of magnetic measurement or simulation data)'], ['und_ph', 'f', 0.0, 'shift of magnet arrays [mm] for which the field should be set up'], ['und_mdir', 's', '', 'name of magnetic measurements sub-folder'], ['und_mfs', 's', '', 'name of magnetic measurements for different gaps summary file'], #---Calculation Types # Electron Trajectory ['tr', '', '', 'calculate electron trajectory', 'store_true'], ['tr_cti', 'f', 0.0, 'initial time moment (c*t) for electron trajectory calculation [m]'], ['tr_ctf', 'f', 0.0, 'final time moment (c*t) for electron trajectory calculation [m]'], ['tr_np', 'f', 10000, 'number of points for trajectory calculation'], ['tr_mag', 'i', 2, 'magnetic field to be used for trajectory calculation: 1- approximate, 2- accurate'], ['tr_fn', 's', 'res_trj.dat', 'file name for saving calculated trajectory data'], ['tr_pl', 's', '', 'plot the resulting trajectiry in graph(s): ""- dont plot, otherwise the string should list the trajectory components to plot'], #Single-Electron Spectrum vs Photon Energy ['ss', '', '', 'calculate single-e spectrum vs photon energy', 'store_true'], ['ss_ei', 'f', 100.0, 'initial photon energy [eV] for single-e spectrum vs photon energy calculation'], ['ss_ef', 'f', 20000.0, 'final photon energy [eV] for single-e spectrum vs photon energy calculation'], ['ss_ne', 'i', 10000, 'number of points vs photon energy for single-e spectrum vs photon energy calculation'], ['ss_x', 'f', 0.0, 'horizontal position [m] for single-e spectrum vs photon energy calculation'], ['ss_y', 'f', 0.0, 'vertical position [m] for single-e spectrum vs photon energy calculation'], ['ss_meth', 'i', 1, 'method to use for single-e spectrum vs photon energy calculation: 0- "manual", 1- "auto-undulator", 2- "auto-wiggler"'], ['ss_prec', 'f', 0.01, 'relative precision for single-e spectrum vs photon energy calculation (nominal value is 0.01)'], ['ss_pol', 'i', 6, 'polarization component to extract after spectrum vs photon energy calculation: 0- Linear Horizontal, 1- Linear Vertical, 2- Linear 45 degrees, 3- Linear 135 degrees, 4- Circular Right, 5- Circular Left, 6- Total'], ['ss_mag', 'i', 2, 'magnetic field to be used for single-e spectrum vs photon energy calculation: 1- approximate, 2- accurate'], ['ss_ft', 's', 'f', 'presentation/domain: "f"- frequency (photon energy), "t"- time'], ['ss_u', 'i', 1, 'electric field units: 0- arbitrary, 1- sqrt(Phot/s/0.1%bw/mm^2), 2- sqrt(J/eV/mm^2) or sqrt(W/mm^2), depending on representation (freq. or time)'], ['ss_fn', 's', 'res_spec_se.dat', 'file name for saving calculated single-e spectrum vs photon energy'], ['ss_pl', 's', '', 'plot the resulting single-e spectrum in a graph: ""- dont plot, "e"- show plot vs photon energy'], #Multi-Electron Spectrum vs Photon Energy (taking into account e-beam emittance, energy spread and collection aperture size) ['sm', '', '', 'calculate multi-e spectrum vs photon energy', 'store_true'], ['sm_ei', 'f', 100.0, 'initial photon energy [eV] for multi-e spectrum vs photon energy calculation'], ['sm_ef', 'f', 20000.0, 'final photon energy [eV] for multi-e spectrum vs photon energy calculation'], ['sm_ne', 'i', 10000, 'number of points vs photon energy for multi-e spectrum vs photon energy calculation'], ['sm_x', 'f', 0.0, 'horizontal center position [m] for multi-e spectrum vs photon energy calculation'], ['sm_rx', 'f', 0.001, 'range of horizontal position / horizontal aperture size [m] for multi-e spectrum vs photon energy calculation'], ['sm_nx', 'i', 1, 'number of points vs horizontal position for multi-e spectrum vs photon energy calculation'], ['sm_y', 'f', 0.0, 'vertical center position [m] for multi-e spectrum vs photon energy calculation'], ['sm_ry', 'f', 0.001, 'range of vertical position / vertical aperture size [m] for multi-e spectrum vs photon energy calculation'], ['sm_ny', 'i', 1, 'number of points vs vertical position for multi-e spectrum vs photon energy calculation'], ['sm_mag', 'i', 1, 'magnetic field to be used for calculation of multi-e spectrum spectrum or intensity distribution: 1- approximate, 2- accurate'], ['sm_hi', 'i', 1, 'initial UR spectral harmonic to be taken into account for multi-e spectrum vs photon energy calculation'], ['sm_hf', 'i', 15, 'final UR spectral harmonic to be taken into account for multi-e spectrum vs photon energy calculation'], ['sm_prl', 'f', 1.0, 'longitudinal integration precision parameter for multi-e spectrum vs photon energy calculation'], ['sm_pra', 'f', 1.0, 'azimuthal integration precision parameter for multi-e spectrum vs photon energy calculation'], ['sm_meth', 'i', -1, 'method to use for spectrum vs photon energy calculation in case of arbitrary input magnetic field: 0- "manual", 1- "auto-undulator", 2- "auto-wiggler", -1- dont use this accurate integration method (rather use approximate if possible)'], ['sm_prec', 'f', 0.01, 'relative precision for spectrum vs photon energy calculation in case of arbitrary input magnetic field (nominal value is 0.01)'], ['sm_nm', 'i', 1, 'number of macro-electrons for calculation of spectrum in case of arbitrary input magnetic field'], ['sm_na', 'i', 5, 'number of macro-electrons to average on each node at parallel (MPI-based) calculation of spectrum in case of arbitrary input magnetic field'], ['sm_ns', 'i', 5, 'saving periodicity (in terms of macro-electrons) for intermediate intensity at calculation of multi-electron spectrum in case of arbitrary input magnetic field'], ['sm_type', 'i', 1, 'calculate flux (=1) or flux per unit surface (=2)'], ['sm_pol', 'i', 6, 'polarization component to extract after calculation of multi-e flux or intensity: 0- Linear Horizontal, 1- Linear Vertical, 2- Linear 45 degrees, 3- Linear 135 degrees, 4- Circular Right, 5- Circular Left, 6- Total'], ['sm_rm', 'i', 1, 'method for generation of pseudo-random numbers for e-beam phase-space integration: 1- standard pseudo-random number generator, 2- Halton sequences, 3- LPtau sequences (to be implemented)'], ['sm_fn', 's', 'res_spec_me.dat', 'file name for saving calculated milti-e spectrum vs photon energy'], ['sm_pl', 's', '', 'plot the resulting spectrum-e spectrum in a graph: ""- dont plot, "e"- show plot vs photon energy'], #to add options for the multi-e calculation from "accurate" magnetic field #Power Density Distribution vs horizontal and vertical position ['pw', '', '', 'calculate SR power density distribution', 'store_true'], ['pw_x', 'f', 0.0, 'central horizontal position [m] for calculation of power density distribution vs horizontal and vertical position'], ['pw_rx', 'f', 0.015, 'range of horizontal position [m] for calculation of power density distribution vs horizontal and vertical position'], ['pw_nx', 'i', 100, 'number of points vs horizontal position for calculation of power density distribution'], ['pw_y', 'f', 0.0, 'central vertical position [m] for calculation of power density distribution vs horizontal and vertical position'], ['pw_ry', 'f', 0.015, 'range of vertical position [m] for calculation of power density distribution vs horizontal and vertical position'], ['pw_ny', 'i', 100, 'number of points vs vertical position for calculation of power density distribution'], ['pw_pr', 'f', 1.0, 'precision factor for calculation of power density distribution'], ['pw_meth', 'i', 1, 'power density computation method (1- "near field", 2- "far field")'], ['pw_zst', 'f', 0., 'initial longitudinal position along electron trajectory of power density distribution (effective if pow_sst < pow_sfi)'], ['pw_zfi', 'f', 0., 'final longitudinal position along electron trajectory of power density distribution (effective if pow_sst < pow_sfi)'], ['pw_mag', 'i', 2, 'magnetic field to be used for power density calculation: 1- approximate, 2- accurate'], ['pw_fn', 's', 'res_pow.dat', 'file name for saving calculated power density distribution'], ['pw_pl', 's', '', 'plot the resulting power density distribution in a graph: ""- dont plot, "x"- vs horizontal position, "y"- vs vertical position, "xy"- vs horizontal and vertical position'], #Single-Electron Intensity distribution vs horizontal and vertical position ['si', '', '', 'calculate single-e intensity distribution (without wavefront propagation through a beamline) vs horizontal and vertical position', 'store_true'], #Single-Electron Wavefront Propagation ['ws', '', '', 'calculate single-electron (/ fully coherent) wavefront propagation', 'store_true'], #Multi-Electron (partially-coherent) Wavefront Propagation ['wm', '', '', 'calculate multi-electron (/ partially coherent) wavefront propagation', 'store_true'], ['w_e', 'f', 8019.0, 'photon energy [eV] for calculation of intensity distribution vs horizontal and vertical position'], ['w_ef', 'f', -1.0, 'final photon energy [eV] for calculation of intensity distribution vs horizontal and vertical position'], ['w_ne', 'i', 1, 'number of points vs photon energy for calculation of intensity distribution'], ['w_x', 'f', 0.0, 'central horizontal position [m] for calculation of intensity distribution'], ['w_rx', 'f', 0.0015, 'range of horizontal position [m] for calculation of intensity distribution'], ['w_nx', 'i', 100, 'number of points vs horizontal position for calculation of intensity distribution'], ['w_y', 'f', 0.0, 'central vertical position [m] for calculation of intensity distribution vs horizontal and vertical position'], ['w_ry', 'f', 0.0015, 'range of vertical position [m] for calculation of intensity distribution vs horizontal and vertical position'], ['w_ny', 'i', 100, 'number of points vs vertical position for calculation of intensity distribution'], ['w_smpf', 'f', 0.3, 'sampling factor for calculation of intensity distribution vs horizontal and vertical position'], ['w_meth', 'i', 1, 'method to use for calculation of intensity distribution vs horizontal and vertical position: 0- "manual", 1- "auto-undulator", 2- "auto-wiggler"'], ['w_prec', 'f', 0.01, 'relative precision for calculation of intensity distribution vs horizontal and vertical position'], ['w_u', 'i', 1, 'electric field units: 0- arbitrary, 1- sqrt(Phot/s/0.1%bw/mm^2), 2- sqrt(J/eV/mm^2) or sqrt(W/mm^2), depending on representation (freq. or time)'], ['si_pol', 'i', 6, 'polarization component to extract after calculation of intensity distribution: 0- Linear Horizontal, 1- Linear Vertical, 2- Linear 45 degrees, 3- Linear 135 degrees, 4- Circular Right, 5- Circular Left, 6- Total'], ['si_type', 'i', 0, 'type of a characteristic to be extracted after calculation of intensity distribution: 0- Single-Electron Intensity, 1- Multi-Electron Intensity, 2- Single-Electron Flux, 3- Multi-Electron Flux, 4- Single-Electron Radiation Phase, 5- Re(E): Real part of Single-Electron Electric Field, 6- Im(E): Imaginary part of Single-Electron Electric Field, 7- Single-Electron Intensity, integrated over Time or Photon Energy'], ['w_mag', 'i', 2, 'magnetic field to be used for calculation of intensity distribution vs horizontal and vertical position: 1- approximate, 2- accurate'], ['si_fn', 's', 'res_int_se.dat', 'file name for saving calculated single-e intensity distribution (without wavefront propagation through a beamline) vs horizontal and vertical position'], ['si_pl', 's', '', 'plot the input intensity distributions in graph(s): ""- dont plot, "x"- vs horizontal position, "y"- vs vertical position, "xy"- vs horizontal and vertical position'], ['ws_fni', 's', 'res_int_pr_se.dat', 'file name for saving propagated single-e intensity distribution vs horizontal and vertical position'], ['ws_pl', 's', '', 'plot the resulting intensity distributions in graph(s): ""- dont plot, "x"- vs horizontal position, "y"- vs vertical position, "xy"- vs horizontal and vertical position'], ['wm_nm', 'i', 1000, 'number of macro-electrons (coherent wavefronts) for calculation of multi-electron wavefront propagation'], ['wm_na', 'i', 5, 'number of macro-electrons (coherent wavefronts) to average on each node for parallel (MPI-based) calculation of multi-electron wavefront propagation'], ['wm_ns', 'i', 5, 'saving periodicity (in terms of macro-electrons / coherent wavefronts) for intermediate intensity at multi-electron wavefront propagation calculation'], ['wm_ch', 'i', 0, 'type of a characteristic to be extracted after calculation of multi-electron wavefront propagation: #0- intensity (s0); 1- four Stokes components; 2- mutual intensity cut vs x; 3- mutual intensity cut vs y; 40- intensity(s0), mutual intensity cuts and degree of coherence vs X & Y'], ['wm_ap', 'i', 0, 'switch specifying representation of the resulting Stokes parameters: coordinate (0) or angular (1)'], ['wm_x0', 'f', 0.0, 'horizontal center position for mutual intensity cut calculation'], ['wm_y0', 'f', 0.0, 'vertical center position for mutual intensity cut calculation'], ['wm_ei', 'i', 0, 'integration over photon energy is required (1) or not (0); if the integration is required, the limits are taken from w_e, w_ef'], ['wm_rm', 'i', 1, 'method for generation of pseudo-random numbers for e-beam phase-space integration: 1- standard pseudo-random number generator, 2- Halton sequences, 3- LPtau sequences (to be implemented)'], ['wm_am', 'i', 0, 'multi-electron integration approximation method: 0- no approximation (use the standard 5D integration method), 1- integrate numerically only over e-beam energy spread and use convolution to treat transverse emittance'], ['wm_fni', 's', 'res_int_pr_me.dat', 'file name for saving propagated multi-e intensity distribution vs horizontal and vertical position'], ['wm_fbk', '', '', 'create backup file(s) with propagated multi-e intensity distribution vs horizontal and vertical position and other radiation characteristics', 'store_true'], #to add options ['op_r', 'f', 20.0, 'longitudinal position of the first optical element [m]'], # Former appParam: ['rs_type', 's', 't', 'source type, (u) idealized undulator, (t), tabulated undulator, (m) multipole, (g) gaussian beam'], #---Beamline optics: # Aperture: aperture ['op_Aperture_shape', 's', 'r', 'shape'], ['op_Aperture_Dx', 'f', 0.00025, 'horizontalSize'], ['op_Aperture_Dy', 'f', 0.00025, 'verticalSize'], ['op_Aperture_x', 'f', 0.0, 'horizontalOffset'], ['op_Aperture_y', 'f', 0.0, 'verticalOffset'], # Aperture_Watchpoint: drift ['op_Aperture_Watchpoint_L', 'f', 11.8202, 'length'], #---Propagation parameters ['op_Aperture_pp', 'f', [0, 0, 1.0, 0, 0, 1.0, 1.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], 'Aperture'], ['op_Aperture_Watchpoint_pp', 'f', [0, 0, 1.0, 1, 0, 1.0, 1.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], 'Aperture_Watchpoint'], ['op_fin_pp', 'f', [0, 0, 1.0, 0, 0, 1.0, 1.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], 'final post-propagation (resize) parameters'], #[ 0]: Auto-Resize (1) or not (0) Before propagation #[ 1]: Auto-Resize (1) or not (0) After propagation #[ 2]: Relative Precision for propagation with Auto-Resizing (1. is nominal) #[ 3]: Allow (1) or not (0) for semi-analytical treatment of the quadratic (leading) phase terms at the propagation #[ 4]: Do any Resizing on Fourier side, using FFT, (1) or not (0) #[ 5]: Horizontal Range modification factor at Resizing (1. means no modification) #[ 6]: Horizontal Resolution modification factor at Resizing #[ 7]: Vertical Range modification factor at Resizing #[ 8]: Vertical Resolution modification factor at Resizing #[ 9]: Type of wavefront Shift before Resizing (not yet implemented) #[10]: New Horizontal wavefront Center position after Shift (not yet implemented) #[11]: New Vertical wavefront Center position after Shift (not yet implemented) #[12]: Optional: Orientation of the Output Optical Axis vector in the Incident Beam Frame: Horizontal Coordinate #[13]: Optional: Orientation of the Output Optical Axis vector in the Incident Beam Frame: Vertical Coordinate #[14]: Optional: Orientation of the Output Optical Axis vector in the Incident Beam Frame: Longitudinal Coordinate #[15]: Optional: Orientation of the Horizontal Base vector of the Output Frame in the Incident Beam Frame: Horizontal Coordinate #[16]: Optional: Orientation of the Horizontal Base vector of the Output Frame in the Incident Beam Frame: Vertical Coordinate ] def setup_magnetic_measurement_files(filename, v): import os c = None f = None r = 0 try: import mpi4py.MPI if mpi4py.MPI.COMM_WORLD.Get_size() > 1: c = mpi4py.MPI.COMM_WORLD r = c.Get_rank() except Exception: pass if r == 0: try: import zipfile z = zipfile.ZipFile(filename) f = [x for x in z.namelist() if x.endswith('.txt')] if len(f) != 1: raise RuntimeError( '{} magnetic measurement index (*.txt) file={}'.format( 'too many' if len(f) > 0 else 'missing', filename, ) ) f = f[0] z.extractall() except Exception: if c: c.Abort(1) raise if c: f = c.bcast(f, root=0) v.und_mfs = os.path.basename(f) v.und_mdir = os.path.dirname(f) or './' def main(): v = srwl_bl.srwl_uti_parse_options(srwl_bl.srwl_uti_ext_options(varParam), use_sys_argv=True) setup_magnetic_measurement_files("magnetic_measurements.zip", v) op = set_optics(v) v.ss = True v.ss_pl = 'e' v.sm = True v.sm_pl = 'e' v.pw = True v.pw_pl = 'xy' v.si = True v.si_pl = 'xy' v.tr = True v.tr_pl = 'xz' v.ws = True v.ws_pl = 'xy' mag = None if v.rs_type == 'm': mag = srwlib.SRWLMagFldC() mag.arXc.append(0) mag.arYc.append(0) mag.arMagFld.append(srwlib.SRWLMagFldM(v.mp_field, v.mp_order, v.mp_distribution, v.mp_len)) mag.arZc.append(v.mp_zc) srwl_bl.SRWLBeamline(_name=v.name, _mag_approx=mag).calc_all(v, op) main()
mkeilman/sirepo
tests/template/srw_generate_data/tabulated-undulator-example.py
Python
apache-2.0
22,553
[ "Gaussian" ]
2f3e8e700695fab650dc0965fb5e77275c5b2da75bb3fcb436967c0887d2aa0d
# Copyright (c) 2000-2010 LOGILAB S.A. (Paris, FRANCE). # http://www.logilab.fr/ -- mailto:contact@logilab.fr # # 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. """handle diagram generation options for class diagram or default diagrams """ from logilab import astng from logilab.astng.utils import LocalsVisitor from pylint.pyreverse.diagrams import PackageDiagram, ClassDiagram # diagram generators ########################################################## class DiaDefGenerator: """handle diagram generation options """ def __init__(self, linker, handler): """common Diagram Handler initialization""" self.config = handler.config self._set_default_options() self.linker = linker self.classdiagram = None # defined by subclasses def get_title(self, node): """get title for objects""" title = node.name if self.module_names: title = '%s.%s' % (node.root().name, title) return title def _set_option(self, option): """activate some options if not explicitly deactivated""" # if we have a class diagram, we want more information by default; # so if the option is None, we return True if option is None: if self.config.classes: return True else: return False return option def _set_default_options(self): """set different default options with _default dictionary""" self.module_names = self._set_option(self.config.module_names) all_ancestors = self._set_option(self.config.all_ancestors) all_associated = self._set_option(self.config.all_associated) anc_level, ass_level = (0, 0) if all_ancestors: anc_level = -1 if all_associated: ass_level = -1 if self.config.show_ancestors is not None: anc_level = self.config.show_ancestors if self.config.show_associated is not None: ass_level = self.config.show_associated self.anc_level, self.ass_level = anc_level, ass_level def _get_levels(self): """help function for search levels""" return self.anc_level, self.ass_level def show_node(self, node): """true if builtins and not show_builtins""" if self.config.show_builtin: return True return node.root().name != '__builtin__' def add_class(self, node): """visit one class and add it to diagram""" self.linker.visit(node) self.classdiagram.add_object(self.get_title(node), node) def get_ancestors(self, node, level): """return ancestor nodes of a class node""" if level == 0: return for ancestor in node.ancestors(recurs=False): if not self.show_node(ancestor): continue yield ancestor def get_associated(self, klass_node, level): """return associated nodes of a class node""" if level == 0: return for ass_nodes in klass_node.instance_attrs_type.values(): for ass_node in ass_nodes: if isinstance(ass_node, astng.Instance): ass_node = ass_node._proxied if not (isinstance(ass_node, astng.Class) and self.show_node(ass_node)): continue yield ass_node def extract_classes(self, klass_node, anc_level, ass_level): """extract recursively classes related to klass_node""" if self.classdiagram.has_node(klass_node) or not self.show_node(klass_node): return self.add_class(klass_node) for ancestor in self.get_ancestors(klass_node, anc_level): self.extract_classes(ancestor, anc_level-1, ass_level) for ass_node in self.get_associated(klass_node, ass_level): self.extract_classes(ass_node, anc_level, ass_level-1) class DefaultDiadefGenerator(LocalsVisitor, DiaDefGenerator): """generate minimum diagram definition for the project : * a package diagram including project's modules * a class diagram including project's classes """ def __init__(self, linker, handler): DiaDefGenerator.__init__(self, linker, handler) LocalsVisitor.__init__(self) def visit_project(self, node): """visit an astng.Project node create a diagram definition for packages """ mode = self.config.mode if len(node.modules) > 1: self.pkgdiagram = PackageDiagram('packages %s' % node.name, mode) else: self.pkgdiagram = None self.classdiagram = ClassDiagram('classes %s' % node.name, mode) def leave_project(self, node): """leave the astng.Project node return the generated diagram definition """ if self.pkgdiagram: return self.pkgdiagram, self.classdiagram return self.classdiagram, def visit_module(self, node): """visit an astng.Module node add this class to the package diagram definition """ if self.pkgdiagram: self.linker.visit(node) self.pkgdiagram.add_object(node.name, node) def visit_class(self, node): """visit an astng.Class node add this class to the class diagram definition """ anc_level, ass_level = self._get_levels() self.extract_classes(node, anc_level, ass_level) def visit_from(self, node): """visit astng.From and catch modules for package diagram """ if self.pkgdiagram: self.pkgdiagram.add_from_depend(node, node.modname) class ClassDiadefGenerator(DiaDefGenerator): """generate a class diagram definition including all classes related to a given class """ def __init__(self, linker, handler): DiaDefGenerator.__init__(self, linker, handler) def class_diagram(self, project, klass): """return a class diagram definition for the given klass and its related klasses """ self.classdiagram = ClassDiagram(klass, self.config.mode) if len(project.modules) > 1: module, klass = klass.rsplit('.', 1) module = project.get_module(module) else: module = project.modules[0] klass = klass.split('.')[-1] klass = module.ilookup(klass).next() anc_level, ass_level = self._get_levels() self.extract_classes(klass, anc_level, ass_level) return self.classdiagram # diagram handler ############################################################# class DiadefsHandler: """handle diagram definitions : get it from user (i.e. xml files) or generate them """ def __init__(self, config): self.config = config def get_diadefs(self, project, linker): """get the diagrams configuration data :param linker: astng.inspector.Linker(IdGeneratorMixIn, LocalsVisitor) :param project: astng.manager.Project """ # read and interpret diagram definitions (Diadefs) diagrams = [] generator = ClassDiadefGenerator(linker, self) for klass in self.config.classes: diagrams.append(generator.class_diagram(project, klass)) if not diagrams: diagrams = DefaultDiadefGenerator(linker, self).visit(project) for diagram in diagrams: diagram.extract_relationships() return diagrams
dbbhattacharya/kitsune
vendor/packages/pylint/pyreverse/diadefslib.py
Python
bsd-3-clause
8,190
[ "VisIt" ]
03fd1753a0f0648fecbc5c49116e892ebe699b4b8ac1ecf0a6b6cb7391674992
""" [2015-03-13] Challenge #205 [Hard] DNA and Protein Sequence Alignment https://www.reddit.com/r/dailyprogrammer/comments/2yx8b8/20150313_challenge_205_hard_dna_and_protein/ #Description If you are studying a particular pair of genes or proteins, an important question is to what extent the two sequences are similar. To quantify similarity, it is necessary to align the two sequences, and then you can calculate a similarity score based on the alignment. There are two types of alignment in general. A global alignment is an alignment of the full length of two sequences, for example, of two protein sequences or of two DNA sequences. A local alignment is an alignment of part of one sequence to part of another sequence. Alignment treats the two inputs as a linear sequence to be lined up as much as possible, with optional gaps and conversions allowed. The goal is to minimize these differences. The first step in computing a sequence alignment is to decide on a scoring system. For this exercise, we'll simplify this and give a score of +2 to a match and a penalty of -1 to a mismatch, and a penalty of -2 to a gap. Here's a small example. Our two DNA sequences to align: CTCTAGCATTAG GTGCACCCA One alignment might look like this: CTCTAGCATTAG GT---GCACCCA But that one adds three gaps. We can do a bit better with only one gap added (and a small shift in starting position): CTCTAGCATTAG GT-GCACCCA While not an exact match, it now minimizes the conversion penalties between the two and aligns them as best we can. For more information and how to do this using an R package, see the chapter ["Pairwise Sequence Alignment"](http://a-little-book-of-r-for-bioinformatics.readthedocs.org/en/latest/src/chapter4.html), or [this set of lecture notes from George Washington University](http://www.seas.gwu.edu/~simhaweb/cs151/lectures/module12/align.html). The key algorithm is [Needleman-Wunsch](http://en.wikipedia.org/wiki/Needleman%E2%80%93Wunsch_algorithm). For this challenge your task is to write a program that accepts two sequences and globally aligns them. If you want to make this harder and integrate the BLOSUM matrices, you may. #Input Description You'll be given two sequences on two lines, one line per sequence. They'll be the same type of input, DNA or protein. #Output Description Your program should emit the aligned sequences with gaps introduced represented by dashed ("-"). #Input DNA example GACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTAC ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTAC Protein example MTNRTLSREEIRKLDRDLRILVATNGTLTRVLNVVANEEIVVDIINQQLLDVAPKIPELENLKIGRILQRDILLKGQKSGILFVAAESLIVIDLLPTAITTYLTKTHHPIGEIMAASRIETYKEDAQVWIGDLPCWLADYGYWDLPKRAVGRRYRIIAGGQPVIITTEYFLRSVFQDTPREELDRCQYSNDIDTRSGDRFVLHGRVFK MLAVLPEKREMTECHLSDEEIRKLNRDLRILIATNGTLTRILNVLANDEIVVEIVKQQIQDAAPEMDGCDHSSIGRVLRRDIVLKGRRSGIPFVAAESFIAIDLLPPEIVASLLETHRPIGEVMAASCIETFKEEAKVWAGESPAWLELDRRRNLPPKVVGRQYRVIAEGRPVIIITEYFLRSVFEDNSREEPIRHQRSVGTSARSGRSIC #Output DNA example GACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTAC ACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTACGTAC Protein example MTNRTLSREEIRKLDRDLRILVATNGTLTRVLNVVANEEIVVDIINQQLLDVAPKIPELENLKIGRILQRDILLKGQKSGILFVAAESLIVIDLLPTAITTYLTKTHHPIGEIMAASRIETYKEDAQVWIGDLPCWLADYGYWDLPKRAVGRRYRIIAGGQPVIITTEYFLRSVFQDTPREELDRCQYSNDIDTRSGDRFVLHGRVFK MLAVLPEKREMTECHLSDEEIRKLNRDLRILIATNGTLTRILNVLANDEIVVEIVKQQIQDAAPEMDGCDHSSIGRVLRRDIVLKGRRSGIPFVAAESFIAIDLLPPEIVASLLETHRPIGEVMAASCIETFKEEAKVWAGESPAWLELDRRRNLPPKVVGRQYRVIAEGRPVIIITEYFLRSVFEDNSREEPIRHQRS--VGT-SA-R---SGRSIC #Notes Once you have a simple NW algorithm implemented, you can alter the cost matrices. In the bioinformatics field, the PAM and BLOSUM matrices are the standards. You can find them here: ftp://ftp.ncbi.nih.gov/blast/matrices/ Have a cool challenge idea? Post it to /r/DailyProgrammer_Ideas! """ def main(): pass if __name__ == "__main__": main()
DayGitH/Python-Challenges
DailyProgrammer/DP20150313C.py
Python
mit
3,971
[ "BLAST" ]
2532a2960f88066980a566ad2658762d1031c107fb6f52b2cf2d9b6aa7d7939a