Select_Orbitals.h

#ifndef QNANO_NEW_SELECT_ORBITALS_DEFINED_H
#define QNANO_NEW_SELECT_ORBITALS_DEFINED_H

#include "tools/List_Class.h"
#include "tools/Reader.h"
#include <cstdlib>
#include <iostream>
#include "Orbital_Index.h"
#include <algorithm>

class Select_Orbitals: public List_Class<int>{
public:
  int element;

  bool is_spinless() const;
  int get_nr_orbs_per_spin() const;
  
  int find(int orb)const;
  int find(const std::string &str)const;
  int find_first_of(const std::string &str1, const std::string &str2="", \
                 const std::string &str3="", const std::string &str4="", \
                 const std::string &str5="")const;
  bool contains(int orb)const;
  bool contains(const std::string &str)const;
  bool contains_s()const;
  bool contains_p()const;
  bool contains_d()const;
  bool contains_sstar()const;
  
  void add(int i, bool spinup=false);
  void add(const std::string &str, bool spinup=false);
  void select_all();
  void make_consistent();

  void read_list(const std::vector<std::string> &stringvec, size_t col=0);
  void read_list_from_line(const std::string &line, size_t col=0);
  void read_list_from_line(std::istream &ifs);
  void read_from_file(const std::string &filename);

  void print_list(std::ostream &ofs)const;
  void print(std::ostream &ofs=std::cout)const;


  Select_Orbitals():element(0){}
  Select_Orbitals(const std::string &filename):element(0) {read_from_file(filename);}
};


#endif