CompositionConverter.hh File Reference

#include <vector>
#include <map>
#include "casm/external/Eigen/Dense"
#include "casm/casm_io/jsonParser.hh"
#include "casm/clex/ParamComposition.hh"

Go to the source code of this file.

Classes
class	CASM::CompositionConverter
	Convert between number of species per unit cell and parametric composition. More...

Namespaces
	CASM
	Main CASM namespace.

Functions
template<typename OutputIterator >
OutputIterator	CASM::standard_composition_axes (const Structure &prim, OutputIterator result)
	Generate CompositionConverter specifying standard composition axes for a prim Structure. More...
void	CASM::display_composition_axes (std::ostream &stream, const std::map< std::string, CompositionConverter > &map)
	Pretty-print map of name/CompositionConverter pairs. More...
void	CASM::display_comp (std::ostream &stream, const CompositionConverter &f, int indent=0)
	Pretty-print comp in terms of comp_n. More...
void	CASM::display_comp_n (std::ostream &stream, const CompositionConverter &f, int indent=0)
	Pretty-print comp_n in terms of comp. More...
void	CASM::display_param_chem_pot (std::ostream &stream, const CompositionConverter &f, int indent=0)
	Pretty-print param_chem_pot in terms of chem_pot. More...
jsonParser &	CASM::to_json (const CompositionConverter &f, jsonParser &json)
	Serialize CompositionConverter to JSON. More...
void	CASM::from_json (CompositionConverter &f, const jsonParser &json)
	Deserialize CompositionConverter from JSON. More...
Eigen::MatrixXd	CASM::end_members (const Structure &prim)
	Generate a column matrix containing all the possible molecular end members. More...
Eigen::MatrixXd	CASM::composition_space (const Structure &prim, double tol=1e-14)
	Return the composition space of a Structure. More...
Eigen::MatrixXd	CASM::null_composition_space (const Structure &prim, double tol=1e-14)
	Return the null composition space of a Structure. More...