Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::ForceField::MMFF94EnergyCalculator< ValueType > Member List

This is the complete list of members for CDPL::ForceField::MMFF94EnergyCalculator< ValueType >, including all inherited members.

getAngleBendingEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getBondStretchingEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getElectrostaticEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getEnabledInteractionTypes() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getOutOfPlaneBendingEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getStretchBendEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getTorsionEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getTotalEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
getVanDerWaalsEnergy() constCDPL::ForceField::MMFF94EnergyCalculator< ValueType >
MMFF94EnergyCalculator()CDPL::ForceField::MMFF94EnergyCalculator< ValueType >
MMFF94EnergyCalculator(const MMFF94InteractionData &ia_data)CDPL::ForceField::MMFF94EnergyCalculator< ValueType >
operator()(const CoordsArray &coords)CDPL::ForceField::MMFF94EnergyCalculator< ValueType >
setEnabledInteractionTypes(unsigned int types)CDPL::ForceField::MMFF94EnergyCalculator< ValueType >
setup(const MMFF94InteractionData &ia_data)CDPL::ForceField::MMFF94EnergyCalculator< ValueType >
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