AvogadroLibs 1.100.0
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AtomUtilities Class Reference

Static Public Member Functions

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

Member Function Documentation

◆ perceiveHybridization()

AtomHybridization perceiveHybridization ( const Atom & atom)
static

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

◆ generateNewBondVector()

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

Generate a new bond vector (unit length)


The documentation for this class was generated from the following file: