CDPL::ForceField::MMFF94ChargeCalculator Member List

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

calculate(const Chem::MolecularGraph &molgraph, Util::DArray &charges, bool strict)	CDPL::ForceField::MMFF94ChargeCalculator
getFormalCharges() const	CDPL::ForceField::MMFF94ChargeCalculator
MMFF94ChargeCalculator()	CDPL::ForceField::MMFF94ChargeCalculator
MMFF94ChargeCalculator(const Chem::MolecularGraph &molgraph, Util::DArray &charges, bool strict)	CDPL::ForceField::MMFF94ChargeCalculator
setAromaticRingSetFunction(const MMFF94RingSetFunction &func)	CDPL::ForceField::MMFF94ChargeCalculator
setAtomTypePropertyTable(const MMFF94AtomTypePropertyTable::SharedPointer &table)	CDPL::ForceField::MMFF94ChargeCalculator
setBondChargeIncrementTable(const MMFF94BondChargeIncrementTable::SharedPointer &table)	CDPL::ForceField::MMFF94ChargeCalculator
setBondTypeIndexFunction(const MMFF94BondTypeIndexFunction &func)	CDPL::ForceField::MMFF94ChargeCalculator
setFormalChargeDefinitionTable(const MMFF94FormalAtomChargeDefinitionTable::SharedPointer &table)	CDPL::ForceField::MMFF94ChargeCalculator
setNumericAtomTypeFunction(const MMFF94NumericAtomTypeFunction &func)	CDPL::ForceField::MMFF94ChargeCalculator
setPartialBondChargeIncrementTable(const MMFF94PartialBondChargeIncrementTable::SharedPointer &table)	CDPL::ForceField::MMFF94ChargeCalculator
setSymbolicAtomTypeFunction(const MMFF94SymbolicAtomTypeFunction &func)	CDPL::ForceField::MMFF94ChargeCalculator
SharedPointer typedef	CDPL::ForceField::MMFF94ChargeCalculator