MMFF94AngleBendingInteractionParameterizer() | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
MMFF94AngleBendingInteractionParameterizer(const Chem::MolecularGraph &molgraph, MMFF94AngleBendingInteractionList &ia_list, bool strict) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
parameterize(const Chem::MolecularGraph &molgraph, MMFF94AngleBendingInteractionList &ia_list, bool strict) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setAngleBendingParameterTable(const MMFF94AngleBendingParameterTable::SharedPointer &table) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setAromaticRingSetFunction(const MMFF94RingSetFunction &func) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setAtomTypeFunction(const MMFF94NumericAtomTypeFunction &func) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setAtomTypePropertyTable(const MMFF94AtomTypePropertyTable::SharedPointer &table) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setBondStretchingParameterTable(const MMFF94BondStretchingParameterTable::SharedPointer &table) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setBondStretchingRuleParameterTable(const MMFF94BondStretchingRuleParameterTable::SharedPointer &table) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setBondTypeIndexFunction(const MMFF94BondTypeIndexFunction &func) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setFilterFunction(const InteractionFilterFunction3 &func) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
setParameterAtomTypeMap(const MMFF94PrimaryToParameterAtomTypeMap::SharedPointer &map) | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
SharedPointer typedef | CDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |