PrimClex.cc File Reference

#include <memory>
#include "casm/app/ClexDescription.hh"
#include "casm/app/DirectoryStructure.hh"
#include "casm/app/ProjectSettings.hh"
#include "casm/casm_io/Log.hh"
#include "casm/casm_io/SafeOfstream.hh"
#include "casm/casm_io/json/InputParser_impl.hh"
#include "casm/clex/ChemicalReference.hh"
#include "casm/clex/ClexBasisSpecs.hh"
#include "casm/clex/ClexBasisWriter_impl.hh"
#include "casm/clex/ClexBasis_impl.hh"
#include "casm/clex/Clexulator.hh"
#include "casm/clex/CompositionAxes_impl.hh"
#include "casm/clex/CompositionConverter.hh"
#include "casm/clex/ECIContainer.hh"
#include "casm/clex/NeighborList.hh"
#include "casm/clex/PrimClex_impl.hh"
#include "casm/clex/io/ProtoFuncsPrinter_impl.hh"
#include "casm/clex/io/file/ChemicalReference_file_io.hh"
#include "casm/clex/io/file/CompositionAxes_file_io.hh"
#include "casm/clex/io/json/ClexBasisSpecs_json_io.hh"
#include "casm/clex/io/json/ECIContainer_json_io.hh"
#include "casm/clusterography/ClusterOrbits_impl.hh"
#include "casm/clusterography/ClusterSpecs_impl.hh"
#include "casm/clusterography/ClusterSymCompare_impl.hh"
#include "casm/clusterography/IntegralCluster_impl.hh"
#include "casm/crystallography/Coordinate.hh"
#include "casm/crystallography/Structure.hh"
#include "casm/database/DatabaseHandler_impl.hh"
#include "casm/database/DatabaseTypes_impl.hh"
#include "casm/database/DatabaseTypes.hh"

Go to the source code of this file.

Classes
struct	CASM::PrimClex::PrimClexData
struct	CASM::WriteBasisSetDataImpl
	Write clust.json, basis.json, and clexulator source code, given orbits. More...

Namespaces
	CASM
	Main CASM namespace.

Macros
#define	INST_PrimClex(r, data, type)
#define	INST_PrimClexProps(r, data, type)

Functions
BasicStructure	CASM::read_prim (ProjectSettings const &project_settings)
std::shared_ptr< Structure const >	CASM::read_shared_prim (ProjectSettings const &project_settings)
void	CASM::write_basis_set_data (std::shared_ptr< Structure const > shared_prim, ProjectSettings const &settings, std::string const &basis_set_name, ClexBasisSpecs const &basis_set_specs, PrimNeighborList &prim_neighbor_list)
Clexulator	CASM::make_clexulator (ProjectSettings const &settings, std::string const &basis_set_name, PrimNeighborList &prim_neighbor_list)

Macro Definition Documentation

INST_PrimClex

#define INST_PrimClex	(		r,
			data,
			type
	)

Value:

  template DB::Database<type> &PrimClex::db<type>() const;                 \
  template const DB::Database<type> &PrimClex::const_db<type>() const;     \
  template DB::ValDatabase<type> &PrimClex::generic_db<type>() const;      \
  template const DB::ValDatabase<type> &PrimClex::const_generic_db<type>() \
      const;

Definition at line 540 of file PrimClex.cc.

INST_PrimClexProps

#define INST_PrimClexProps	(		r,
			data,
			type
	)

Value:

  template DB::PropertiesDatabase &PrimClex::db_props<type>(             \
      std::string calc_type) const;                                      \
  template const DB::PropertiesDatabase &PrimClex::const_db_props<type>( \
      std::string calc_type) const;

Definition at line 548 of file PrimClex.cc.