Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer Member List

This is the complete list of members for CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer, including all inherited members.

DEF_DIELECTRIC_CONSTANTCDPL::ForceField::MMFF94ElectrostaticInteractionParameterizerstatic
DEF_DISTANCE_EXPONENTCDPL::ForceField::MMFF94ElectrostaticInteractionParameterizerstatic
DIELECTRIC_CONSTANT_WATERCDPL::ForceField::MMFF94ElectrostaticInteractionParameterizerstatic
MMFF94ElectrostaticInteractionParameterizer()CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
MMFF94ElectrostaticInteractionParameterizer(const Chem::MolecularGraph &molgraph, MMFF94ElectrostaticInteractionList &ia_list, bool strict)CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
parameterize(const Chem::MolecularGraph &molgraph, MMFF94ElectrostaticInteractionList &ia_list, bool strict)CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
setAtomChargeFunction(const MMFF94AtomChargeFunction &func)CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
setDielectricConstant(double de_const)CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
setDistanceExponent(double dist_expo)CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
setFilterFunction(const InteractionFilterFunction2 &func)CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
setTopologicalDistanceFunction(const TopologicalAtomDistanceFunction &func)CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
SharedPointer typedefCDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
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