Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer Member List

This is the complete list of members for CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer, including all inherited members.

MMFF94OutOfPlaneBendingInteractionParameterizer()CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
MMFF94OutOfPlaneBendingInteractionParameterizer(const Chem::MolecularGraph &molgraph, MMFF94OutOfPlaneBendingInteractionList &ia_list, bool strict)CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
parameterize(const Chem::MolecularGraph &molgraph, MMFF94OutOfPlaneBendingInteractionList &ia_list, bool strict)CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
setAtomTypeFunction(const MMFF94NumericAtomTypeFunction &func)CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
setAtomTypePropertyTable(const MMFF94AtomTypePropertyTable::SharedPointer &table)CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
setFilterFunction(const InteractionFilterFunction4 &func)CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
setOutOfPlaneBendingParameterTable(const MMFF94OutOfPlaneBendingParameterTable::SharedPointer &table)CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
setParameterAtomTypeMap(const MMFF94PrimaryToParameterAtomTypeMap::SharedPointer &map)CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer
SharedPointer typedefCDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer