Postscript_Printer.h

#ifndef QNANO_NEW_POSTSCRIPT_PRINTER_DEFINED_H
#define QNANO_NEW_POSTSCRIPT_PRINTER_DEFINED_H

#include "structure/Atom_List.h"
#include "structure/Potential.h"
#include "tools/Quaternion.h"
#include <fstream>
#include <iomanip>

class Postscript_Printer{
private:
  std::string outfile;
  double boxwidth, boxheight;
  bool ps_boxwidth_set_explicitly;
  bool ps_boxheight_set_explicitly;
  bool print_diagonal;

  //cut box:
  Vec3d center;
  double boxwidthx, boxwidthy, boxwidthz;
  Quaternion quaternion;

  double nm_to_pt;
  double default_radius;
  double atom_border_width;
  std::vector<std::string> EVfile;
  std::string potentialfile;

  std::map<int, Vec3d> element_color;

  //function pointer to color rescale function
  Vec3d (*color_rescale)(Vec3d color, double maxval);

public:
  bool is_in_box(const Atom &at, const Vec3d &newcenter)const;
//  Atom_List cut_rotate_project(const Atom_List &atlist)const;

  void set_element_colors_from_parameters(Parameter_Map &param_map);
  void add_default_element_colors(std::map<int,Vec3d> &colors, const Atom_List &atlist)const;

  static Vec3d color_rescale_bw(Vec3d color, double maxval);
  static Vec3d color_rescale_yellowbrown(Vec3d color, double maxval);
  static Vec3d color_rescale_redblue(Vec3d color, double maxval);
  static Vec3d color_rescale_greenredblueyellow(Vec3d color, double maxval);


  void get_color_list_atoms(std::vector<Vec3d> & colorlist, const Atom_List &atlist)const;
  void get_color_list_EV(std::vector<Vec3d> & colorlist, const Atom_List &atlist)const;
  void get_color_list_potential(std::vector<Vec3d> & colorlist, const Atom_List &atlist)const;
  void get_color_list(std::vector<Vec3d> & colorlist, const Atom_List &atlist)const;
  void setup_from_parameters(Parameter_Map &param_map);

  void print_header(std::ostream &ofs) const;
  void print_footer(std::ostream &ofs) const;
  void print_atoms(std::ostream &ofs, const Atom_List &atlist)const;
  void print(const Atom_List &atlist);
//  void print(const Sample &sample);
  
  Postscript_Printer(const std::string &outfile);
  Postscript_Printer(Parameter_Map &param_map);
  ~Postscript_Printer();

  static bool compare_atom_z(const Atom &a1, const Atom &a2){
    return a1.pos[2]<a2.pos[2];
  }
};

#endif