BasicStructureIO.hh File Reference

#include <boost/filesystem/path.hpp>
#include <map>
#include <string>
#include "casm/global/definitions.hh"
#include "casm/global/eigen.hh"
#include "casm/global/enum.hh"

Go to the source code of this file.

Classes
struct	CASM::jsonConstructor< xtal::AtomPosition >
struct	CASM::jsonConstructor< xtal::Molecule >
struct	CASM::jsonConstructor< xtal::Site >

Namespaces
	CASM
	Main CASM namespace.
	CASM::xtal

Functions
jsonParser const &	CASM::from_json (xtal::SpeciesAttribute &_attr, jsonParser const &json)
	Read SpeciesAttribute from json. More...
jsonParser &	CASM::to_json (xtal::SpeciesAttribute const &_attr, jsonParser &json)
	From SpeciesAttribute to json. More...
jsonParser &	CASM::to_json (const xtal::AtomPosition &apos, jsonParser &json, Eigen::Ref< const Eigen::Matrix3d > const &cart2frac)
	Print AtomPosition to json after applying affine transformation cart2frac*cart()+trans. More...
void	CASM::from_json (xtal::AtomPosition &apos, const jsonParser &json, Eigen::Ref< const Eigen::Matrix3d > const &frac2cart, ParsingDictionary< AnisoValTraits > const &_aniso_val_dict)
	Read AtomPosition from json and then apply affine transformation cart2frac*cart() More...
jsonParser &	CASM::to_json (const xtal::Molecule &mol, jsonParser &json, Eigen::Ref< const Eigen::Matrix3d > const &c2f_mat)
void	CASM::from_json (xtal::Molecule &mol, const jsonParser &json, Eigen::Ref< const Eigen::Matrix3d > const &f2c_mat, ParsingDictionary< AnisoValTraits > const &_aniso_val_dict)
jsonParser &	CASM::to_json (const xtal::Site &value, jsonParser &json, COORD_TYPE coordtype)
void	CASM::from_json (xtal::Site &value, const jsonParser &json, xtal::Lattice const &_home, COORD_TYPE coordtype, std::map< std::string, xtal::Molecule > const &mol_map, ParsingDictionary< AnisoValTraits > const &_aniso_val_dict)
xtal::BasicStructure	CASM::read_prim (fs::path filename, double xtal_tol, ParsingDictionary< AnisoValTraits > const *_aniso_val_dict=nullptr)
xtal::BasicStructure	CASM::read_prim (const jsonParser &json, double xtal_tol, ParsingDictionary< AnisoValTraits > const *_aniso_val_dict)
	Read prim.json. More...
void	CASM::write_prim (const xtal::BasicStructure &prim, fs::path filename, COORD_TYPE mode, bool include_va=false)
	Write prim.json to file. More...
void	CASM::write_prim (const xtal::BasicStructure &prim, jsonParser &json, COORD_TYPE mode, bool include_va=false)
	Write prim.json as JSON. More...
void	CASM::from_json (xtal::BasicStructure &prim, jsonParser const &json, double xtal_tol, ParsingDictionary< AnisoValTraits > const *_aniso_val_dict=nullptr)
jsonParser &	CASM::to_json (const xtal::BasicStructure &prim, jsonParser &json, COORD_TYPE mode, bool include_va=false)