occ::core::MolecularPointGroup Class Reference

Storage class for a point group describing a Molecule. More...

#include <point_group.h>

Public Member Functions
	MolecularPointGroup (const occ::core::Molecule &)
const char *	description () const
const char *	point_group_string () const
const PointGroup	point_group () const
const auto &	symops () const
const auto &	rotational_symmetries () const
int	symmetry_number () const

Detailed Description

Storage class for a point group describing a Molecule.

Constructor & Destructor Documentation

MolecularPointGroup()

occ::core::MolecularPointGroup::MolecularPointGroup

(

const occ::core::Molecule &

)

Member Function Documentation

description()

const char * occ::core::MolecularPointGroup::description

(

)

const

point_group()

const PointGroup occ::core::MolecularPointGroup::point_group ( ) const

inline

point_group_string()

const char * occ::core::MolecularPointGroup::point_group_string

(

)

const

rotational_symmetries()

const auto & occ::core::MolecularPointGroup::rotational_symmetries ( ) const

inline

symmetry_number()

int occ::core::MolecularPointGroup::symmetry_number

(

)

const

symops()

const auto & occ::core::MolecularPointGroup::symops ( ) const

inline

---

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

• /home/runner/work/occ/occ/include/occ/core/point_group.h