clex_io.cc

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#ifndef CASM_app_clex_file_io
#define CASM_app_clex_file_io
 
#include <boost/filesystem.hpp>
#include <boost/filesystem/fstream.hpp>
 
#include "casm/app/DirectoryStructure.hh"
#include "casm/casm_io/json/jsonParser.hh"
#include "casm/clex/Configuration.hh"
#include "casm/clex/SimpleStructureTools.hh"
#include "casm/clex/Supercell.hh"
#include "casm/clex/io/json/Configuration_json_io.hh"
#include "casm/clex/io/stream/Configuration_stream_io.hh"
#include "casm/crystallography/Lattice.hh"
#include "casm/crystallography/SimpleStructure.hh"
#include "casm/crystallography/io/SimpleStructureIO.hh"
 
namespace CASM {
 
void write_lat(Supercell const &supercell, DirectoryStructure const &dir) {
  fs::create_directories(dir.configuration_dir(supercell.name()));
  fs::ofstream outfile{dir.LAT(supercell.name())};
  outfile << supercell.lattice().lat_column_mat() << std::endl;
}
 
void write_pos(Configuration const &configuration,
               DirectoryStructure const &dir) {
  fs::create_directories(dir.configuration_dir(configuration.name()));
  fs::ofstream outfile{dir.POS(configuration.name())};
  print_poscar(configuration, outfile);
}
 
void write_structure_json(Configuration const &configuration,
                          DirectoryStructure const &dir) {
  fs::create_directories(dir.configuration_dir(configuration.name()));
  fs::ofstream outfile{dir.structure_json(configuration.name())};
  jsonParser json;
  to_json(make_simple_structure(configuration), json);
  json.print(outfile);
}
 
void write_config_json(Configuration const &configuration,
                       DirectoryStructure const &dir) {
  fs::create_directories(dir.configuration_dir(configuration.name()));
  fs::ofstream outfile{dir.config_json(configuration.name())};
  jsonParser json;
  to_json(configuration, json);
  json.print(outfile);
}
 
}  // namespace CASM
 
#endif