Chemical Data Processing Library Python API - Version 1.2.0
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.MMFF94ChargeCalculatorstatic
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