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AtomColor.h

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/***************************************************************************
 *cr                                                                       
 *cr            (C) Copyright 1995-2008 The Board of Trustees of the           
 *cr                        University of Illinois                       
 *cr                         All Rights Reserved                        
 *cr                                                                   
 ***************************************************************************/

/***************************************************************************
 * RCS INFORMATION:
 *
 *      $RCSfile: AtomColor.h,v $
 *      $Author: johns $        $Locker:  $                $State: Exp $
 *      $Revision: 1.43 $      $Date: 2008/03/27 19:36:34 $
 *
 ***************************************************************************
 * DESCRIPTION:
 * 
 * Parse and maintain the data for how a molecule should be colored.
 *
 ***************************************************************************/
#ifndef ATOMCOLOR_H
#define ATOMCOLOR_H

#include "utilities.h"
class MoleculeList;
class DrawMolecule;
class Scene;

// default atom coloring method, and max cmd string size
#define DEFAULT_ATOMCOLOR       AtomColor::NAME
#define MAX_ATOMCOLOR_CMD       255

class AtomColor {
public:
  enum ColorMethod { NAME, TYPE, ELEMENT, RESNAME, RESTYPE, RESID, CHAIN, 
                     SEGNAME, CONFORMATION, MOLECULE, STRUCTURE, COLORID, 
                     BETA, OCCUP, MASS, CHARGE, 
                     POS, POSX, POSY, POSZ,
                     USER, USER2, USER3, USER4, 
                     INDEX, BACKBONE, THROB, PHYSICALTIME, TIMESTEP, VELOCITY, 
                     VOLUME, TOTAL };
        
  char cmdStr[MAX_ATOMCOLOR_CMD + 1]; 
  int *color;               
  int nAtoms;               

private:
  ColorMethod colorMethod;  
  int colIndex;             
  int volIndex;             
  const Scene *scene;       

  float minRange, maxRange;

  int need_recalc_minmax;   
  MoleculeList *molList;    
  DrawMolecule *mol;        
  int parse_cmd(const char *); 

public:
  AtomColor(MoleculeList *, const Scene *);
  AtomColor(AtomColor &);
  ~AtomColor(void);
  
  AtomColor& operator=(const AtomColor &);

  int current_color_use(int);

  int find(DrawMolecule *);

  int change(const char *newcmd) {
    int retval = parse_cmd(newcmd);
    if(retval && mol)
      retval = find(mol);
    return retval;
  }

  //
  // info about current settings
  //

  int method(void) { return colorMethod; }
  
  int color_index(void) { return colIndex; }

  int volume_index(void) { return volIndex; }

  void get_colorscale_minmax(float *min, float *max) const {
    *min = minRange;
    *max = maxRange;
  }

  int set_colorscale_minmax(float min, float max) {
    if (min > max) return FALSE;
    minRange = min;
    maxRange = max;
    need_recalc_minmax = FALSE;  // don't override these values
    return TRUE;
  }

  void rescale_colorscale_minmax() {
    need_recalc_minmax = TRUE;
  }

  int uses_colorscale() const;

  int do_update;
};

extern const char *AtomColorName[AtomColor::TOTAL];
extern const char *AtomColorMenuName[AtomColor::TOTAL];

#endif

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