Chemical Data Processing Library Python API - Version 1.2.0
CDPL.ForceField.MMFF94TorsionInteractionParameterizer Member List

This is the complete list of members for CDPL.ForceField.MMFF94TorsionInteractionParameterizer, including all inherited members.

__init__()CDPL.ForceField.MMFF94TorsionInteractionParameterizer
__init__(MMFF94TorsionInteractionParameterizer parameterizer)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
__init__(Chem.MolecularGraph molgraph, MMFF94TorsionInteractionList ia_list, bool strict)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
assign(MMFF94TorsionInteractionParameterizer parameterizer)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
getObjectID()CDPL.ForceField.MMFF94TorsionInteractionParameterizer
objectID (defined in CDPL.ForceField.MMFF94TorsionInteractionParameterizer)CDPL.ForceField.MMFF94TorsionInteractionParameterizerstatic
parameterize(Chem.MolecularGraph molgraph, MMFF94TorsionInteractionList ia_list, bool strict)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
setAromaticRingSetFunction(MMFF94RingSetFunction func)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
setAtomTypeFunction(MMFF94NumericAtomTypeFunction func)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
setAtomTypePropertyTable(MMFF94AtomTypePropertyTable table)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
setBondTypeIndexFunction(MMFF94BondTypeIndexFunction func)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
setFilterFunction(InteractionFilterFunction4 func)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
setParameterAtomTypeMap(MMFF94PrimaryToParameterAtomTypeMap map)CDPL.ForceField.MMFF94TorsionInteractionParameterizer
setTorsionParameterTable(MMFF94TorsionParameterTable table)CDPL.ForceField.MMFF94TorsionInteractionParameterizer