Avogadro::Core::AtomUtilities#

class AtomUtilities#

Public Static Functions

static AtomHybridization perceiveHybridization(const Atom &atom)#

Perceive the geometry / hybridization bonded to atom. Ideally, the client should cache the hybridization number by calling setHybridization() later

static Vector3 generateNewBondVector(const Atom &atom, const std::vector<Vector3> &currentVectors, AtomHybridization hybridization)#

Generate a new bond vector (unit length)