def __init__(self,
settings,
name="Standard",
label="Standard Command",
path=""):
self._name = name
self._label = label
Command.__init__(self, settings)
self._path = path
def __init__(self, settings):
self._name = co.COMMAND_NAMES_DICT["SERIAL_DE_CALCULATION"]
self._label = co.COMMAND_LABELS_DICT["SERIAL_DE_CALCULATION"]
Command.__init__(self, settings)
self._path = self.settings.calculation_path
def __init__(self, settings):
self._name = co.COMMAND_NAMES_DICT["LAMBDAS_SAMPLING"]
self._label = co.COMMAND_LABELS_DICT["LAMBDAS_SAMPLING"]
Command.__init__(self, settings)
self._path = self.settings.simulation_path
def __init__(self, settings):
self._name = co.COMMAND_NAMES_DICT["SOLVATION_FREE_ENERGY_CALCULATION"]
self._label = co.COMMAND_LABELS_DICT[
"SOLVATION_FREE_ENERGY_CALCULATION"]
Command.__init__(self, settings)
self._path = ""
def __init__(self, settings):
self._name = co.COMMAND_NAMES_DICT["EXPONENTIAL_AVERAGING"]
self._label = co.COMMAND_LABELS_DICT["EXPONENTIAL_AVERAGING"]
Command.__init__(self, settings)
self._path = self.settings.calculation_path