def move(self, coordinates):
"""
Moves coordinates.
This method must NOT be overloaded in MoveGenerator sub-classes.
:Parameters:
#. coordinates (np.ndarray): Not used here.
"""
raise Exception(
LOGGER.usage("%s '%s' is not allowed in removes generators" %
(self.__class__.__name__, inspect.stack()[0][3])))
def transform_coordinates(self, coordinates, argument):
"""
In this particular case it checks and verifies maximumCollected
:Parameters:
#. coordinates (np.ndarray): The coordinates on which to apply the translation.
:Returns:
#. coordinates (np.ndarray): The new coordinates after applying the translation.
#. argument (object): Any python object. Not used in this generator.
"""
raise Exception(LOGGER.usage("%s '%s' is not allowed in removes generators"%(self.__class__.__name__,inspect.stack()[0][3])))
def move(self, coordinates):
"""
Moves coordinates.
This method must NOT be overloaded in MoveGenerator sub-classes.
:Parameters:
#. coordinates (np.ndarray): The coordinates on which to apply the transformation.
:Returns:
#. coordinates (np.ndarray): The new coordinates after applying the transformation.
"""
raise Exception(LOGGER.usage("%s '%s' is not allowed in removes generators"%(self.__class__.__name__,inspect.stack()[0][3])))
def __init__(self, group=None, maximumCollected=None, allowFittingScaleFactor=False, atomsList=None):
if self.__class__.__name__ == "RemoveGenerator":
raise Exception(LOGGER.usage("%s instanciation is not allowed"%(self.__class__.__name__)))
super(RemoveGenerator, self).__init__(group=group)
# set collectorState
self._collectorState = None
# set maximum collected
self.set_maximum_collected(maximumCollected)
# set maximum collected
self.set_allow_fitting_scale_factor(allowFittingScaleFactor)
# set maximum collected
self.set_atoms_list(atomsList)
def transform_coordinates(self, coordinates, argument):
"""
This method must NOT be overloaded in MoveGenerator sub-classes.
:Parameters:
#. coordinates (np.ndarray): Not used here.
the translation.
#. argument (object): Not used here.
"""
raise Exception(
LOGGER.usage("%s '%s' is not allowed in removes generators" %
(self.__class__.__name__, inspect.stack()[0][3])))