material_library.h

#ifndef PYNE_MATERIAL_LIBRARY
#define PYNE_MATERIAL_LIBRARY

#include <stdlib.h>
#include <iostream>
#include <memory>
#include <string>
#include <unordered_map>
#include <vector>

#if !defined(JSON_IS_AMALGAMATION)
#define JSON_IS_AMALGAMATION
#endif

#ifndef PYNE_IS_AMALGAMATED
#include "material.h"
#endif

namespace pyne {

typedef std::shared_ptr<pyne::Material> shr_mat_ptr;
typedef std::unordered_map<std::string, shr_mat_ptr> mat_map;
typedef std::set<std::string> matname_set;
typedef std::set<int> nuc_set;

class MaterialLibrary {
 public:
  // materialLibrary constructor
  MaterialLibrary();  //< empty constryctor

  MaterialLibrary(const std::string& fname, const std::string& datapath);

  ~MaterialLibrary(){};  //< default destructor

  void from_hdf5(const std::string& filename, const std::string& datapath);

  void from_json(const std::string& filename);
  void load_json(Json::Value json);
  Json::Value dump_json();
  void write_json(const std::string& filename);
  void write_hdf5(const std::string& filename,
                  const std::string& datapath = "/materials",
                  bool h5_overwrite = false) const;
  void write_hdf5_nucpath(hid_t db, std::string nucpath) const;
  void merge(const pyne::MaterialLibrary& mat_lib);
  void merge(pyne::MaterialLibrary* mat_lib);
  void add_material(pyne::Material mat);
  void add_material(const std::string& mat_name, const pyne::Material& mat);
  void del_material(const std::string& mat_name);
  pyne::Material get_material(const std::string& mat_name) const;
  pyne::shr_mat_ptr get_material_ptr(const std::string& mat_name) const;
  std::string ensure_material_name_and_number(pyne::Material& mat) const;
  int ensure_material_number(pyne::Material& mat) const;
  pyne::mat_map get_mat_library() const { return material_library; }
  pyne::matname_set get_keylist() const { return keylist; }
  pyne::nuc_set get_nuclist() const { return nuclist; }

  typedef mat_map::iterator iterator;
  typedef mat_map::const_iterator const_iterator;
  iterator begin() { return material_library.begin(); }
  iterator end() { return material_library.end(); }

  const_iterator cbegin() const { return material_library.cbegin(); }
  const_iterator cend() const { return material_library.cend(); }
  std::size_t size() const { return material_library.size(); }
  bool emtpy() const { return material_library.empty(); }
  std::size_t count(std::string mat_name) const {
    return material_library.count(mat_name);
  }
  std::shared_ptr<Material>& operator[](const std::string& k) {
    return material_library[k];
  }
  std::shared_ptr<Material>& operator[](std::string&& k) {
    return material_library[k];
  }

 private:
  void append_to_nuclist(const pyne::Material& mat);
  int get_length_of_table(hid_t db, const std::string& datapath) const;

  std::set<int>
      mat_number_set;   // list of material number in the library (ordered)
  matname_set keylist;  // list of masterial keys
  nuc_set nuclist;      // list of nuclides in the library
  // The actual library
  mat_map material_library;  // material library

};  // end MaterialLibrary class header
}  // namespace pyne
#endif  // PYNE_MATERIAL_LIBRARY