RDKit
Open-source cheminformatics and machine learning.
|
This is the complete list of members for ForceFields::UFF::PositionConstraintContrib, including all inherited members.
copy() const override | ForceFields::UFF::PositionConstraintContrib | inlinevirtual |
dp_forceField | ForceFields::ForceFieldContrib | protected |
ForceFieldContrib() | ForceFields::ForceFieldContrib | inline |
ForceFieldContrib(ForceFields::ForceField *owner) | ForceFields::ForceFieldContrib | inline |
getEnergy(double *pos) const override | ForceFields::UFF::PositionConstraintContrib | virtual |
getGrad(double *pos, double *grad) const override | ForceFields::UFF::PositionConstraintContrib | virtual |
PositionConstraintContrib() | ForceFields::UFF::PositionConstraintContrib | inline |
PositionConstraintContrib(ForceField *owner, unsigned int idx, double maxDispl, double forceConst) | ForceFields::UFF::PositionConstraintContrib | |
~ForceFieldContrib() | ForceFields::ForceFieldContrib | inlinevirtual |
~PositionConstraintContrib() override=default | ForceFields::UFF::PositionConstraintContrib |