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HydrogenTools Member List

This is the complete list of members for HydrogenTools, including all inherited members.

Add enum value | HydrogenTools |
AddAndRemove enum value | HydrogenTools |
adjustHydrogens(RWMolecule &molecule, Adjustment adjustment=AddAndRemove) | HydrogenTools | static
adjustHydrogens(RWAtom &atom, Adjustment adjustment=AddAndRemove) | HydrogenTools | static
Adjustment enum name | HydrogenTools |
extraHydrogenIndices(const RWAtom &atom, int numberOfHydrogens, std::vector< size_t > &indices) | HydrogenTools | static
generateNewHydrogenPositions(const RWAtom &atom, int numberOfHydrogens, std::vector< Vector3 > &positions) | HydrogenTools | static
Remove enum value | HydrogenTools |
removeAllHydrogens(RWMolecule &molecule) | HydrogenTools | static
valencyAdjustment(const RWAtom &atom) | HydrogenTools | static