RDKit
Open-source cheminformatics and machine learning.
DistGeom::DistViolationContrib Member List

This is the complete list of members for DistGeom::DistViolationContrib, including all inherited members.

copy() constDistGeom::DistViolationContribinlinevirtual
DistViolationContrib()DistGeom::DistViolationContribinline
DistViolationContrib(ForceFields::ForceField *owner, unsigned int idx1, unsigned int idx2, double ub, double lb, double weight=1.0)DistGeom::DistViolationContrib
dp_forceFieldForceFields::ForceFieldContribprotected
ForceFieldContrib()ForceFields::ForceFieldContribinline
ForceFieldContrib(ForceFields::ForceField *owner)ForceFields::ForceFieldContribinline
getEnergy(double *pos) constDistGeom::DistViolationContribvirtual
getGrad(double *pos, double *grad) constDistGeom::DistViolationContribvirtual
~ForceFieldContrib()ForceFields::ForceFieldContribinlinevirtual