Select_Orbitals_List.h

#ifndef QNANO_NEW_SELECT_ORBITALS_LIST_DEFINED_H
#define QNANO_NEW_SELECT_ORBITALS_LIST_DEFINED_H

#include "tools/Has_Print.h"
#include "tools/List_Class.h"
#include "tools/Parameter_Map.h"
#include "orbitals/Select_Orbitals.h"
#include "structure/Atom_List.h"

class Select_Orbitals_List: public List_Class<Select_Orbitals>, public Has_Print {
  bool spinless;
public:
  bool is_spinless()const{return spinless;}
  void check_spin_consistency();

  void setup(Parameter_Map &map);
  void add_from_material_file(const std::string &res_dir, const std::string &materialfile); 
  void add_from_positions_file(const std::string &materialdirectory, const std::string &positionfile);

  Select_Orbitals_List():spinless(true){}
  Select_Orbitals_List(Parameter_Map &param_map){ setup(param_map);}

  virtual int find(int element)const;
  virtual int find_check(int element)const;
  void print(std::ostream &ofs=std::cout)const;

  const Select_Orbitals & get_from_element(int element)const{return list[find_check(element)];}

};

#endif