def __init__(self, trajectory=None):
"""
Create a simulation trajectory object
Parameters
----------
trajectory : Trajectory
if specified, make a deep copy of specified trajectory
"""
# Initialize list.
list.__init__(self)
StorableObject.__init__(self)
self.path_probability = None # For future uses
if trajectory is not None:
# Try to make a copy out of whatever container we were provided
if hasattr(trajectory, 'atom_indices'):
self.atom_indices = trajectory.atom_indices
else:
self.atom_indices = None
if type(trajectory) is Trajectory:
self.extend(trajectory.iter_proxies())
else:
self.extend(trajectory)
else:
self.atom_indices = None
def __init__(self, subchanges=None, samples=None, mover=None,
details=None, input_samples=None):
StorableObject.__init__(self)
self._lazy = {}
self._len = None
self._collapsed = None
self._results = None
self._trials = None
self._accepted = None
self.mover = mover
if subchanges is None:
self.subchanges = []
else:
self.subchanges = subchanges
if samples is None:
self.samples = []
else:
self.samples = samples
if input_samples is None:
self.input_samples = []
else:
self.input_samples = input_samples
self.details = details
def __init__(self, subchanges=None, samples=None, mover=None,
details=None, input_samples=None):
StorableObject.__init__(self)
self._lazy = {}
self._len = None
self._collapsed = None
self._results = None
self._trials = None
self._accepted = None
self.mover = mover
if subchanges is None:
self.subchanges = []
else:
self.subchanges = subchanges
if samples is None:
self.samples = []
else:
self.samples = samples
if input_samples is None:
self.input_samples = []
else:
self.input_samples = input_samples
self.details = details
def __init__(self, trajectory=None):
"""
Create a simulation trajectory object
Parameters
----------
trajectory : :obj:`Trajectory` or list of :obj:`openpathsampling.engines.BaseSnapshot`
if specified, make a deep copy of specified trajectory
"""
# Initialize list.
list.__init__(self)
StorableObject.__init__(self)
if trajectory is not None:
if type(trajectory) is Trajectory:
self.extend(trajectory.iter_proxies())
else:
self.extend(trajectory)
def __init__(self, trajectory=None):
"""
Create a simulation trajectory object
Parameters
----------
trajectory : :obj:`Trajectory` or list of :obj:`openpathsampling.engines.BaseSnapshot`
if specified, make a deep copy of specified trajectory
"""
# Initialize list.
list.__init__(self)
StorableObject.__init__(self)
if trajectory is not None:
if type(trajectory) is Trajectory:
self.extend(trajectory.iter_proxies())
else:
self.extend(trajectory)
def __init__(self, contents):
StorableObject.__init__(self)
frozenset.__init__(contents)
self._dimensions = dict(self)
self._cls = self._dimensions['class']
del self._dimensions['class']
def __init__(self, contents):
StorableObject.__init__(self)
frozenset.__init__(contents)
self._dimensions = dict(self)
self._cls = self._dimensions['class']
del self._dimensions['class']
