__init__() | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
__init__(MMFF94ElectrostaticInteractionParameterizer parameterizer) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
__init__(Chem.MolecularGraph molgraph, MMFF94ElectrostaticInteractionList ia_list, bool strict) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
assign(MMFF94ElectrostaticInteractionParameterizer parameterizer) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
DEF_DIELECTRIC_CONSTANT (defined in CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | static |
DEF_DISTANCE_EXPONENT (defined in CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | static |
DIELECTRIC_CONSTANT_WATER (defined in CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | static |
getObjectID() | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
objectID (defined in CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | static |
parameterize(Chem.MolecularGraph molgraph, MMFF94ElectrostaticInteractionList ia_list, bool strict) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
setAtomChargeFunction(MMFF94AtomChargeFunction func) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
setDielectricConstant(float de_const) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
setDistanceExponent(float dist_expo) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
setFilterFunction(InteractionFilterFunction2 func) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
setTopologicalDistanceFunction(TopologicalAtomDistanceFunction func) | CDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |