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RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for DistGeom::DistViolationContrib, including all inherited members.
| copy() const override | DistGeom::DistViolationContrib | inlinevirtual |
| DistViolationContrib() | DistGeom::DistViolationContrib | inline |
| DistViolationContrib(ForceFields::ForceField *owner, unsigned int idx1, unsigned int idx2, double ub, double lb, double weight=1.0) | DistGeom::DistViolationContrib | |
| dp_forceField | ForceFields::ForceFieldContrib | protected |
| ForceFieldContrib() | ForceFields::ForceFieldContrib | inline |
| ForceFieldContrib(ForceFields::ForceField *owner) | ForceFields::ForceFieldContrib | inline |
| getEnergy(double *pos) const override | DistGeom::DistViolationContrib | virtual |
| getGrad(double *pos, double *grad) const override | DistGeom::DistViolationContrib | virtual |
| ~ForceFieldContrib() | ForceFields::ForceFieldContrib | inlinevirtual |