def evaluatorParameters(self, universe, subset1, subset2, global_data):
self.collectAtomTypesAndIndices(universe, global_data)
self.collectCharges(universe, global_data)
lj = self._getLJForceField(universe)
es = self._getESForceField(universe)
compound = CompoundForceField(lj, es)
return compound.evaluatorParameters(universe, subset1, subset2,
global_data)
def evaluatorParameters(self, universe, subset1, subset2, global_data):
self.collectAtomTypesAndIndices(universe, global_data)
self.collectCharges(universe, global_data)
lj = self._getLJForceField(universe)
es = self._getESForceField(universe)
compound = CompoundForceField(lj, es)
return compound.evaluatorParameters(universe, subset1, subset2,
global_data)
def evaluatorParameters(self, universe, subset1, subset2, global_data):
self.collectAtomTypesAndIndices(universe, global_data)
return CompoundForceField.evaluatorParameters(self, universe, subset1,
subset2, global_data)
def evaluatorParameters(self, universe, subset1, subset2, global_data):
self.collectAtomTypesAndIndices(universe, global_data)
return CompoundForceField.evaluatorParameters(self, universe,
subset1, subset2,
global_data)