Molecule.cc File Reference

#include "casm/crystallography/Molecule.hh"
#include "casm/symmetry/SymOp.hh"
#include "casm/casm_io/json_io/container.hh"

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Namespaces
	CASM
	Main CASM namespace.

Functions
jsonParser &	CASM::to_json (const Specie &specie, jsonParser &json)
void	CASM::from_json (Specie &specie, const jsonParser &json)
jsonParser &	CASM::to_json (const AtomPosition &apos, jsonParser &json)
void	CASM::from_json (AtomPosition &apos, const jsonParser &json)
Molecule	CASM::make_atom (std::string atom_name, const Lattice &lat)
	Return an atomic Molecule with specified name and Lattice. More...
Molecule	CASM::make_vacancy (const Lattice &lat)
	Return an vacancy Molecule with specified Lattice. More...
bool	CASM::is_molecule_name (const Molecule &mol, std::string name)
	Return true if Molecule name matches 'name', including Va checks. More...
jsonParser &	CASM::to_json (const Molecule &mol, jsonParser &json)
void	CASM::from_json (Molecule &mol, const jsonParser &json)