function stringlengths 11 56k | repo_name stringlengths 5 60 | features list |
|---|---|---|
def __init__(self):
import tty, sys | tpainter/df_everywhere | [
13,
3,
13,
1,
1401129417
] |
def __init__(self):
import msvcrt | tpainter/df_everywhere | [
13,
3,
13,
1,
1401129417
] |
def __init__(self, config, stage_type, ar_globals):
"""The constructor"""
self.config = config
self.type = stage_type
self.LOG = ar_globals['LOG']
try:
self.url = config.get(self.type, 'url')
self.method = config.get(self.type, 'method')
self.s... | sherpya/archiver | [
3,
2,
3,
1,
1251993966
] |
def __init__(self, parent=None):
QAbstractListModel.__init__(self, parent)
self.cards = Cards() | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def _checkActive(self):
if not self.isActive():
raise CardModel.ModelNotActiveError, "Model is not active. Use open first." | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def close(self):
self.emit(SIGNAL('modelAboutToBeReset()'))
self.cards.close()
self.reset() | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def isActive(self):
return self.cards.isOpen() | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def rowCount(self, parent=QModelIndex()):
if parent.isValid():
return 0
else:
if self.cards.isOpen():
return self.cards.getCardsCount()
else:
return 0 | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def index(self, row, column, parent=QModelIndex()):
if row < 0 or column < 0 or not self.cards.isOpen():
return QModelIndex()
else:
# returns index with given card id
header = self.cards.getCardHeaders('', row, row + 1)
if len(header) == 1:
... | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def data(self, index, role=Qt.DisplayRole):
self._checkIndex(index)
if role not in (Qt.DisplayRole, Qt.UserRole):
return QVariant()
card = self.cards.getCard(index.internalId())
if role == Qt.UserRole:
return card
else:
if index.column() == 0:... | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def headerData(self, section, orientation, role=Qt.DisplayRole):
if role == Qt.DisplayRole:
if orientation == Qt.Horizontal:
if section == 0:
return QVariant("Question")
elif section == 1:
return QVariant("Answer")
... | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def getNextIndex(self, index):
"""Returns next index after given or given if it's last."""
self._checkIndex(index)
if index.row() == self.rowCount() - 1:
return index
else:
return self.index(index.row() + 1, 0)
# get row after ? | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def addNewCard(self):
"""Adds a new empty card."""
self.emit(SIGNAL('modelAboutToBeReset()'))
rowid = self.cards.addCard(Card())
# TODO is it ok to return it here?
result = self.createIndex(self.cards.getCardsCount(), 0, rowid)
# cards.addCard(Card())
# TODO
... | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def updateCard(self, index, question, answer):
self._checkIndex(index)
card = Card(index.internalId(), question, answer)
self.cards.updateCard(card)
# update data in the model
self.emit(SIGNAL('dataChanged(QModelIndex)'), index) | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def importQAFile(self, file, clean=True):
"""Import cards from given question&answer file.
@param file can be file name or file like object
"""
self.emit(SIGNAL('modelAboutToBeReset()'))
self._checkActive()
if isstring(file):
file = open(file, 'rt')
if... | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def __init__(self, parent=None):
QAbstractItemModel.__init__(self, parent)
self.cards = [] | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def rowCount(self, parent=QModelIndex()):
if parent.isValid():
return 0
else:
return len(self.cards) | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def index(self, row, column, parent=QModelIndex()):
if parent.isValid():
return QModelIndex()
else:
if row >= 0 and row < len(self.cards) and column == 0:
return self.createIndex(row, column, None)
else:
return QModelIndex() | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def headerData(self, section, orientation, role=Qt.DisplayRole):
return QVariant(str(section))
# return QAbstractItemModel.headerData(self, section, orientation, role) | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def addCard(self, card):
self.emit(SIGNAL('modelAboutToBeReset()'))
self.cards.append(card)
self.reset() | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def selectNextCard(self):
# take from the stack and put it on top
if len(self.cards) > 0:
self.emit(SIGNAL('modelAboutToBeReset()'))
result = self.cards[0]
self.cards = self.cards[1:]
self.cards.append(result)
self.reset()
return re... | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def scoreCard(self, card, score):
if score == DrillModel.Good:
log("Card: $card will be removed from drill.")
self.removeCard(card) | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def printCards(self):
print "Printing cards..."
sys.stdout.flush()
i = 0
for card in self.cards:
print "%d %s\n" % (i, str(card))
sys.stdout.flush()
i += 1
print "Done."
sys.stdout.flush() | afolmert/mentor | [
7,
3,
7,
1,
1208166911
] |
def __init__(self):
self.priority = 1
self.language = ['de']
self.domains = ['tata.to']
self.base_link = 'http://tata.to'
self.search_link = '/filme?suche=%s&type=alle'
self.ajax_link = '/ajax/stream/%s' | repotvsupertuga/tvsupertuga.repository | [
1,
8,
1,
4,
1493763534
] |
def tvshow(self, imdb, tvdb, tvshowtitle, localtvshowtitle, aliases, year):
try:
url = {'imdb': imdb, 'tvdb': tvdb, 'tvshowtitle': tvshowtitle, 'localtvshowtitle': localtvshowtitle,
'aliases': aliases, 'year': year}
url = urllib.urlencode(url)
return url
... | repotvsupertuga/tvsupertuga.repository | [
1,
8,
1,
4,
1493763534
] |
def sources(self, url, hostDict, hostprDict):
sources = []
try:
if not url:
return sources
ref = urlparse.urljoin(self.base_link, url)
url = urlparse.urljoin(self.base_link, self.ajax_link % re.findall('-(\w+)$', ref)[0])
headers = {'Refe... | repotvsupertuga/tvsupertuga.repository | [
1,
8,
1,
4,
1493763534
] |
def __search_movie(self, imdb, year):
try:
query = urlparse.urljoin(self.base_link, self.search_link % imdb)
y = ['%s' % str(year), '%s' % str(int(year) + 1), '%s' % str(int(year) - 1), '0']
r = client.request(query)
r = dom_parser.parse_dom(r, 'div', attrs={'c... | repotvsupertuga/tvsupertuga.repository | [
1,
8,
1,
4,
1493763534
] |
def do_PUT(self):
print(self.path, flush=True)
content_encoding = self.headers['X-Endless-Content-Encoding']
print(content_encoding, flush=True)
content_length = int(self.headers['Content-Length'])
compressed_request_body = self.rfile.read(content_length)
decompressed_r... | endlessm/eos-event-recorder-daemon | [
4,
2,
4,
1,
1380568451
] |
def __init__(self):
SERVER_ADDRESS = ('localhost', 0)
super().__init__(SERVER_ADDRESS, PrintingHTTPRequestHandler) | endlessm/eos-event-recorder-daemon | [
4,
2,
4,
1,
1380568451
] |
def __repr__(self):
return '<factory>' | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def __init__(self, name):
self.name = name | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def __getitem__(self, params):
return self | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def __init__(self, default, default_factory, init, repr, hash, compare,
metadata):
self.name = None
self.type = None
self.default = default
self.default_factory = default_factory
self.init = init
self.repr = repr
self.hash = hash
self.comp... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def __set_name__(self, owner, name):
func = getattr(type(self.default), '__set_name__', None)
if func:
# There is a __set_name__ method on the descriptor, call
# it.
func(self.default, owner, name) | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def __init__(self, init, repr, eq, order, unsafe_hash, frozen):
self.init = init
self.repr = repr
self.eq = eq
self.order = order
self.unsafe_hash = unsafe_hash
self.frozen = frozen | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def field(*, default=MISSING, default_factory=MISSING, init=True, repr=True,
hash=None, compare=True, metadata=None):
"""Return an object to identify dataclass fields.
default is the default value of the field. default_factory is a
0-argument function called to initialize a field's value. If in... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _recursive_repr(user_function):
# Decorator to make a repr function return "..." for a recursive
# call.
repr_running = set()
@functools.wraps(user_function)
def wrapper(self):
key = id(self), _thread.get_ident()
if key in repr_running:
return '...'
repr_runn... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _field_assign(frozen, name, value, self_name):
# If we're a frozen class, then assign to our fields in __init__
# via object.__setattr__. Otherwise, just use a simple
# assignment.
#
# self_name is what "self" is called in this function: don't
# hard-code "self", since that might be a field... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _init_param(f):
# Return the __init__ parameter string for this field. For
# example, the equivalent of 'x:int=3' (except instead of 'int',
# reference a variable set to int, and instead of '3', reference a
# variable set to 3).
if f.default is MISSING and f.default_factory is MISSING:
... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _repr_fn(fields):
fn = _create_fn('__repr__',
('self',),
['return self.__class__.__qualname__ + f"(' +
', '.join([f"{f.name}={{self.{f.name}!r}}"
for f in fields]) +
')"'])
return _recursive_rep... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _cmp_fn(name, op, self_tuple, other_tuple):
# Create a comparison function. If the fields in the object are
# named 'x' and 'y', then self_tuple is the string
# '(self.x,self.y)' and other_tuple is the string
# '(other.x,other.y)'.
return _create_fn(name,
('self', 'other'... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _is_classvar(a_type, typing):
# This test uses a typing internal class, but it's the best way to
# test if this is a ClassVar.
return (a_type is typing.ClassVar
or (type(a_type) is typing._GenericAlias
and a_type.__origin__ is typing.ClassVar)) | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _is_type(annotation, cls, a_module, a_type, is_type_predicate):
# Given a type annotation string, does it refer to a_type in
# a_module? For example, when checking that annotation denotes a
# ClassVar, then a_module is typing, and a_type is
# typing.ClassVar.
# It's possible to look up a_modul... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _set_new_attribute(cls, name, value):
# Never overwrites an existing attribute. Returns True if the
# attribute already exists.
if name in cls.__dict__:
return True
setattr(cls, name, value)
return False | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _hash_set_none(cls, fields):
return None | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _hash_exception(cls, fields):
# Raise an exception.
raise TypeError(f'Cannot overwrite attribute __hash__ '
f'in class {cls.__name__}') | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _process_class(cls, init, repr, eq, order, unsafe_hash, frozen):
# Now that dicts retain insertion order, there's no reason to use
# an ordered dict. I am leveraging that ordering here, because
# derived class fields overwrite base class fields, but the order
# is defined by the base class, which i... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def dataclass(_cls=None, *, init=True, repr=True, eq=True, order=False,
unsafe_hash=False, frozen=False):
"""Returns the same class as was passed in, with dunder methods
added based on the fields defined in the class.
Examines PEP 526 __annotations__ to determine fields.
If init is true,... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def _is_dataclass_instance(obj):
"""Returns True if obj is an instance of a dataclass."""
return not isinstance(obj, type) and hasattr(obj, _FIELDS) | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def asdict(obj, *, dict_factory=dict):
"""Return the fields of a dataclass instance as a new dictionary mapping
field names to field values.
Example usage:
@dataclass
class C:
x: int
y: int
c = C(1, 2)
assert asdict(c) == {'x': 1, 'y': 2}
If given, 'dict_f... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def astuple(obj, *, tuple_factory=tuple):
"""Return the fields of a dataclass instance as a new tuple of field values.
Example usage::
@dataclass
class C:
x: int
y: int
c = C(1, 2)
assert astuple(c) == (1, 2)
If given, 'tuple_factory' will be used instead of built... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def make_dataclass(cls_name, fields, *, bases=(), namespace=None, init=True,
repr=True, eq=True, order=False, unsafe_hash=False,
frozen=False):
"""Return a new dynamically created dataclass.
The dataclass name will be 'cls_name'. 'fields' is an iterable
of either (nam... | FFMG/myoddweb.piger | [
16,
2,
16,
2,
1456065110
] |
def test_database_undefined(self):
with self.assertRaises(DatabaseUndefined):
validate_database(settings.DATABASES, settings.DEFAULT_DATABASE,
settings.DEBUG) | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def test_load_py_file_with_syntax_error(self):
with file('/tmp/settings_with_syntax_error.py', 'w') as temp_settings:
temp_settings.write('(')
self.assertRaises(InaccessibleSettings,
_load_py_file, 'settings_with_syntax_error', '/tmp') | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def test_load_py_settings_with_inaccessible_settings(self, mock):
self.assertRaises(InaccessibleSettings, load_py_settings) | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def test_load_py_settings_with_settings_d(self, mock_py, mock_listdir):
py_settings = load_py_settings(test_files_dir + '/settings.d/')
self.assertIn('SOCIAL_NETWORK_ENABLED', py_settings)
self.assertTrue(py_settings['SOCIAL_NETWORK_ENABLED'])
self.assertIn('EMAIL_PORT', py_settings)
... | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def test_load_colab_apps_without_plugins_d_directory(self, mock):
colab_apps = load_colab_apps()
self.assertIn('COLAB_APPS', colab_apps)
self.assertEquals(colab_apps['COLAB_APPS'], {}) | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def test_load_colab_apps_with_plugins_d_directory(self, os_getenv):
sys.path.insert(0, os_getenv.return_value)
colab_apps = load_colab_apps()
self.assertIn('gitlab', colab_apps['COLAB_APPS'])
self.assertIn('noosfero', colab_apps['COLAB_APPS'])
sys.path.remove(os_getenv.return_va... | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def test_load_widgets_settings_without_settings(self, mock):
self.assertIsNone(load_widgets_settings()) | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def test_load_widgets_settings_without_settings_d(self, mock):
self.assertIsNone(load_widgets_settings()) | colab/colab | [
22,
22,
22,
14,
1373661047
] |
def __init__(self, plugin_administrator, config=None, recursive=True, timeout=300):
super().__init__(plugin_administrator, config=config, recursive=recursive, timeout=timeout, plugin_path=__file__) | fkie-cad/FACT_core | [
980,
203,
980,
61,
1505832491
] |
def setUp(self):
self.oFile = vhdlFile.vhdlFile(lFile)
self.assertIsNone(eError) | jeremiah-c-leary/vhdl-style-guide | [
129,
31,
129,
57,
1499106283
] |
def __new__(cls, startpage,
style=defaults["style"],
prefix=defaults["prefix"],
firstpagenum=defaults["firstpagenum"]):
if style not in styles:
raise ValueError("PageLabel style must be one of %s" % cls.styles())
return super().__new__(cls, int... | lovasoa/pagelabels-py | [
52,
10,
52,
2,
1456746991
] |
def from_pdf(cls, pagenum, opts):
"""Returns a new PageLabel using options from a pdfrw object"""
return cls(pagenum,
style=stylecodes.get(opts.S, defaults["style"]),
prefix=(opts.P and opts.P.decode() or defaults["prefix"]),
firstpagenum=(opts.St... | lovasoa/pagelabels-py | [
52,
10,
52,
2,
1456746991
] |
def styles():
"""List of the allowed styles"""
return styles.keys() | lovasoa/pagelabels-py | [
52,
10,
52,
2,
1456746991
] |
def verifyCallback(connection, x509, errnum, errdepth, ok):
if not ok:
cslog.debug('invalid server cert: %s' % x509.get_subject())
return False
return True | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def getContext(self):
ctx = ssl.ClientContextFactory.getContext(self)
#TODO: replace VERIFY_NONE with VERIFY_PEER when we have
#a real server with a valid CA signed cert. If that doesn't
#work it'll be possible to use self-signed certs, if they're distributed,
#by placing the cer... | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def __init__(self, host, port, json_callback=None, backout_callback=None,
usessl=False):
self.host = host
self.port = int(port)
#Callback fired on receiving response to send()
self.json_callback = json_callback
#Callback fired on receiving any response failure
... | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def error(self, errmsg):
"""error callback implies we must back out at this point.
Note that this includes stateless queries, as any malformed
or non-response must be interpreted as malicious.
"""
self.backout_callback(str(errmsg)) | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def send_poll_unsigned(self, method, callback, *args):
"""Stateless queries outside of a coinswap run use
this query method; no nonce, sessionid or signature needed.
"""
d = self.proxy.callRemote(method, *args)
d.addCallback(callback).addErrback(self.error) | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def __init__(self, wallet, testing_mode=False, carol_class=CoinSwapCarol,
fail_carol_state=None):
self.testing_mode = testing_mode
self.wallet = wallet
self.carol_class = carol_class
self.fail_carol_state = fail_carol_state
self.carols = {}
self.fee_polic... | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def refresh_carols(self):
"""Remove CoinSwapCarol instances that are flagged complete from
the running dict."""
to_remove = []
for k, v in self.carols.iteritems():
if v.completed:
to_remove.append(k)
for x in to_remove:
self.carols.pop(x, N... | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def jsonrpc_status(self):
"""This can be polled at any time.
The call to get_balance_by_mixdepth does not involve sync,
so is not resource intensive.
"""
return self.update_status() | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def consume_nonce(self, nonce, sessionid):
if sessionid not in self.carols:
return False
return self.carols[sessionid].consume_nonce(nonce) | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def jsonrpc_coinswap(self, *paramlist):
"""To get round txjsonrpc's rather funky function naming trick,
we use 1 generic json rpc method and then read the real method as a field.
This allows us to handle generic features like signatures and nonces in
this function before deferring actual... | AdamISZ/CoinSwapCS | [
30,
14,
30,
19,
1493059952
] |
def __init__(self, name, *args, **kwargs):
"""
create QcFrame object.
name: name of the frame molecule
"""
# mandatory parameter
self._name = name
self._fragments = OrderedDict()
self._charge = 0
self._state = {} # 状態保持
self._cmds = self.... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _copy_constructor(self, rhs):
self._name = rhs._name
self._fragments = copy.deepcopy(rhs._fragments)
self._charge = rhs._charge
self._state = copy.deepcopy(rhs._state)
self._cmds = copy.copy(rhs._cmds) | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _initialize(self, *args, **kwargs):
pass | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _load(self):
path = os.path.join(self.work_dir, "qcframe.mpac")
if os.path.exists(path):
logger.info("load the fragment state: {}".format(path))
state_dat = bridge.load_msgpack(path)
self.set_by_raw_data(state_dat)
else:
logger.debug("not found... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def get_raw_data(self):
return self.__getstate__() | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def __getstate__(self):
state = {}
state["name"] = self.name
tmp_frgs = []
for k, frg in self.fragments():
tmp_frgs.append((k, frg.get_raw_data()))
state["fragments"] = tmp_frgs
state["charge"] = self.charge
state["state"] = self._state
state["... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_pdfparam(self):
"""
pdfparamオブジェクトを返す
"""
pdfparam_path = os.path.abspath(
os.path.join(self.work_dir, self._pdfparam_filename)
)
if "pdfparam" not in self._cache:
if os.path.exists(pdfparam_path):
mpac_data = bridge.load_... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def set_db_filename(self, filename):
assert filename is not None
self._db_filename = str(filename)
logger.debug("set_db_filename: {}".format(self._db_filename)) | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def get_pdfarchive(self):
"""
pdfArchiveオブジェクトを返す
"""
logger.debug("get_pdfarchive db_path={}".format(self.db_path))
pdfarc = None
if self._cmds.get("archive", None) == "archive":
pdfarc = pdf.PdfArchive(self.db_path)
else:
pdfarc = pdf.Pdf... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def set_command_alias(self, cmd_alias_dict):
for k, v in cmd_alias_dict.items():
logger.debug("command update: {} -> {}".format(k, v))
self._cmds[k] = v | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_work_dir(self):
return self._work_dir | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_name(self):
return self._name | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _set_basisset(self, pdfparam):
for fragment_name, fragment in self.fragments():
fragment.set_basisset(pdfparam) | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_frame_molecule(self):
"""
モデリングされた分子構造をAtomGroupオブジェクトで返す
"""
if "frame_molecule" not in self._cache:
logger.info("create frame molecule coordinates.")
frame_molecule = bridge.AtomGroup()
for frg_name, frg in self._fragments.items():
... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_fragments_atom_ids(self):
fragments_atom_ids = []
for fragment_name, fragment in self.fragments():
fragment_atomgroup = fragment.get_AtomGroup()
fragment_atomgroup *= pdf.ANG2AU # angstrom -> a.u.
fragment_atom_list = fragment_atomgroup.get_atom_list()
... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _prepare_work_dir(self):
"""
カレントディレクトリ下に作業ディレクトリとなる
nameのディレクトリを作成する。
"""
# assert(len(self.name) > 0)
if len(self.name) == 0:
logger.critical("frame name is not defined.")
raise
self._work_dir = os.path.abspath(os.path.join(os.curdir,... | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def restore_cwd(self):
"""
self.cd_work_dir() 以前のディレクトリに戻す
"""
os.chdir(self._prev_dir)
logger.debug(
"{header} < (prev_dir: {path})".format(
header=self.header, path=self._prev_dir
)
) | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_charge(self):
return int(self._charge) | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def get_number_of_AOs(self):
"""
return the number of atomic orbitals.
"""
num_of_AOs = 0
for frg_name, frg in self.fragments():
num_of_AOs += frg.get_number_of_AOs()
return num_of_AOs | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_state_finished_guess_density(self):
self._state.setdefault("is_finished_guess_density", False)
return self._state["is_finished_guess_density"] | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_state_finished_guess_QCLO(self):
self._state.setdefault("is_finished_guess_QCLO", False)
return self._state["is_finished_guess_QCLO"] | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_state_finished_prescf(self):
self._state.setdefault("is_finished_prescf", False)
return self._state["is_finished_prescf"] | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_state_finished_scf(self):
self._state.setdefault("is_finished_scf", False)
return self._state["is_finished_scf"] | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_state_finished_force(self):
self._state.setdefault("is_finished_force", False)
return self._state["is_finished_force"] | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
def _get_state_finished_pickup_density_matrix(self):
self._state.setdefault("is_finished_pickup_density_matrix", False)
return self._state["is_finished_pickup_density_matrix"] | ProteinDF/QCLObot | [
4,
1,
4,
5,
1408759315
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.