AvogadroLibs
1.96.0
|
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 |
generateNewBondVector(const RWAtom &atom, std::vector< Vector3 > ¤tVectors, Core::AtomHybridization hybridization) | HydrogenTools | static |
generateNewHydrogenPositions(const RWAtom &atom, int numberOfHydrogens, std::vector< Vector3 > &positions) | HydrogenTools | static |
perceiveHybridization(const RWAtom &atom) | HydrogenTools | static |
Remove enum value | HydrogenTools | |
removeAllHydrogens(RWMolecule &molecule) | HydrogenTools | static |
valencyAdjustment(const RWAtom &atom) | HydrogenTools | static |