DirectoryStructure.hh

Go to the documentation of this file.

#ifndef CASM_DirectoryStructure
#define CASM_DirectoryStructure
 
#include <boost/filesystem/path.hpp>
#include <string>
#include <vector>
 
#include "casm/global/definitions.hh"
 
namespace CASM {
 
template <typename DataObject>
struct QueryTraits;
class Log;
 
fs::path find_casmroot(const fs::path &cwd);
 
fs::path relative_casmroot(const fs::path &cwd);
 
void recurs_rm_files(fs::path p, bool dry_run, Log &log);
 
Index recurs_cp_files(const fs::path &from_dir, const fs::path &to_dir,
                      bool dry_run, Log &log);
 
class DirectoryStructure {
 public:
  DirectoryStructure() {}
 
  DirectoryStructure(const fs::path _root);
 
  // ** Query filesystem **
 
  std::vector<std::string> all_bset() const;
 
  std::vector<std::string> all_calctype() const;
 
  std::vector<std::string> all_ref(std::string calctype) const;
 
  std::vector<std::string> all_property() const;
 
  std::vector<std::string> all_eci(std::string property, std::string calctype,
                                   std::string ref, std::string bset) const;
 
  // ** File and Directory paths **
 
  // -- Project directory --------
 
  fs::path root_dir() const;
 
  fs::path prim() const;
 
  // -- Hidden .casm directory --------
 
  fs::path casm_dir() const;
 
  fs::path project_settings() const;
 
  fs::path scel_list() const;
 
  fs::path config_list() const;
 
  fs::path enumerator_plugins() const;
 
  template <typename DataObject>
  fs::path query_plugins() const;
 
  fs::path dof_plugins() const;
 
  fs::path symrep_builder_plugins() const;
 
  template <typename DataObject>
  fs::path master_selection() const;
 
  template <typename DataObject>
  fs::path aliases() const;
 
  // -- Symmetry --------
 
  fs::path symmetry_dir() const;
 
  fs::path symmetry_dir(std::string config_name) const;
 
  fs::path lattice_point_group() const;
 
  fs::path factor_group() const;
 
  fs::path crystal_point_group() const;
 
  // -- Basis sets --------
 
  fs::path bset_dir(std::string bset) const;
 
  std::vector<fs::path> bset_data(std::string project_name,
                                  std::string bset) const;
 
  fs::path bspecs(std::string bset) const;
 
  // \brief Returns path to the clust.json file
  fs::path clust(std::string bset) const;
 
  // \brief Returns path to the basis.json file
  fs::path basis(std::string bset) const;
 
  fs::path clexulator_dir(std::string bset) const;
 
  fs::path clexulator_src(std::string project_name, std::string bset) const;
 
  fs::path clexulator_o(std::string project_name, std::string bset) const;
 
  fs::path clexulator_so(std::string project_name, std::string bset) const;
 
  fs::path eci_in(std::string bset) const;
 
  fs::path corr_in(std::string bset) const;
 
  // -- Calculations and reference --------
 
  fs::path training_data() const;
 
  fs::path SCEL() const;
 
  fs::path supercell_dir(std::string scelname) const;
 
  fs::path LAT(std::string scelname) const;
 
  fs::path configuration_dir(std::string configname) const;
 
  fs::path POS(std::string configname) const;
 
  fs::path config_json(std::string configname) const;
 
  fs::path structure_json(std::string configname) const;
 
  fs::path calc_settings_dir(std::string calctype) const;
 
  fs::path supercell_calc_settings_dir(std::string scelname,
                                       std::string calctype) const;
 
  fs::path configuration_calc_settings_dir(std::string configname,
                                           std::string calctype) const;
 
  fs::path configuration_calc_dir(std::string configname,
                                  std::string calctype) const;
 
  fs::path calculated_properties(std::string configname,
                                 std::string calctype) const;
 
  fs::path calc_status(std::string configname, std::string calctype) const;
 
  fs::path ref_dir(std::string calctype, std::string ref) const;
 
  fs::path composition_axes() const;
 
  fs::path chemical_reference(std::string calctype, std::string ref) const;
 
  // -- Cluster expansions --------
 
  fs::path clex_dir(std::string property) const;
 
  fs::path eci_dir(std::string property, std::string calctype, std::string ref,
                   std::string bset, std::string eci) const;
 
  fs::path eci(std::string property, std::string calctype, std::string ref,
               std::string bset, std::string eci) const;
 
  // -- Reports -------------------------
  fs::path reports_dir() const;
 
  // -- other maybe temporary --------------------------
 
  fs::path CSPECS(std::string bset) const;
 
  // \brief Returns path to the clust.json file
  fs::path FCLUST(std::string bset) const;
 
  // -- deprecated ------------------------------------
 
  fs::path query_alias() const;
 
  // ** Add directories for additional project data **
 
  bool new_casm_dir() const;
 
  bool new_symmetry_dir() const;
 
  bool new_reports_dir() const;
 
  bool new_bset_dir(std::string bset) const;
 
  bool new_clex_dir(std::string property) const;
 
  bool new_calc_settings_dir(std::string calctype) const;
 
  bool new_supercell_calc_settings_dir(std::string scelname,
                                       std::string calctype) const;
 
  bool new_configuration_calc_settings_dir(std::string configname,
                                           std::string calctype) const;
 
  bool new_ref_dir(std::string calctype, std::string ref) const;
 
  bool new_eci_dir(std::string property, std::string calctype, std::string ref,
                   std::string bset, std::string eci) const;
 
  // ** Delete Clexulators **
 
  void delete_bset_data(std::string project_name, std::string bset) const;
 
  void delete_clexulator(std::string project_name, std::string bset) const;
 
  void delete_all_clexulators(std::string project_name) const;
 
 private:
  std::string _bset(std::string bset) const;
 
  std::string _calctype(std::string calctype) const;
 
  std::string _ref(std::string ref) const;
 
  std::string _property(std::string property) const;
 
  std::string _eci(std::string eci) const;
 
  std::string _ref_state(int index) const;
 
  void _init(const fs::path &_root);
 
  std::vector<std::string> _all_settings(std::string pattern,
                                         fs::path location) const;
 
  fs::path m_root;
  std::string m_casm_dir;
  std::string m_bset_dir;
  std::string m_calc_dir;
  std::string m_set_dir;
  std::string m_sym_dir;
  std::string m_clex_dir;
  std::string m_reports_dir;
};
 
void throw_if_no_basis_set_specs(std::string basis_set_name,
                                 DirectoryStructure const &dir);
 
void throw_if_no_clexulator_src(std::string project_name,
                                std::string basis_set_name,
                                DirectoryStructure const &dir);
 
}  // namespace CASM
 
#endif