CDPL.ForceField.MMFF94ChargeCalculator Member List

This is the complete list of members for CDPL.ForceField.MMFF94ChargeCalculator, including all inherited members.

__init__()	CDPL.ForceField.MMFF94ChargeCalculator
__init__(MMFF94ChargeCalculator calc)	CDPL.ForceField.MMFF94ChargeCalculator
__init__(Chem.MolecularGraph molgraph, Util.DArray charges, bool strict)	CDPL.ForceField.MMFF94ChargeCalculator
assign(MMFF94ChargeCalculator parameterizer)	CDPL.ForceField.MMFF94ChargeCalculator
calculate(Chem.MolecularGraph molgraph, Util.DArray charges, bool strict)	CDPL.ForceField.MMFF94ChargeCalculator
formalCharges()	CDPL.ForceField.MMFF94ChargeCalculator
getFormalCharges()	CDPL.ForceField.MMFF94ChargeCalculator
getObjectID()	CDPL.ForceField.MMFF94ChargeCalculator
objectID (defined in CDPL.ForceField.MMFF94ChargeCalculator)	CDPL.ForceField.MMFF94ChargeCalculator	static
setAromaticRingSetFunction(MMFF94RingSetFunction func)	CDPL.ForceField.MMFF94ChargeCalculator
setAtomTypePropertyTable(MMFF94AtomTypePropertyTable table)	CDPL.ForceField.MMFF94ChargeCalculator
setBondChargeIncrementTable(MMFF94BondChargeIncrementTable table)	CDPL.ForceField.MMFF94ChargeCalculator
setBondTypeIndexFunction(MMFF94BondTypeIndexFunction func)	CDPL.ForceField.MMFF94ChargeCalculator
setFormalChargeDefinitionTable(MMFF94FormalAtomChargeDefinitionTable table)	CDPL.ForceField.MMFF94ChargeCalculator
setNumericAtomTypeFunction(MMFF94NumericAtomTypeFunction func)	CDPL.ForceField.MMFF94ChargeCalculator
setPartialBondChargeIncrementTable(MMFF94PartialBondChargeIncrementTable table)	CDPL.ForceField.MMFF94ChargeCalculator
setSymbolicAtomTypeFunction(MMFF94SymbolicAtomTypeFunction func)	CDPL.ForceField.MMFF94ChargeCalculator