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AtomSel.h

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/***************************************************************************
 *cr                                                                       
 *cr            (C) Copyright 1995-2011 The Board of Trustees of the           
 *cr                        University of Illinois                       
 *cr                         All Rights Reserved                        
 *cr                                                                   
 ***************************************************************************/

/***************************************************************************
 * RCS INFORMATION:
 *
 *      $RCSfile: AtomSel.h,v $
 *      $Author: johns $        $Locker:  $                $State: Exp $
 *      $Revision: 1.54 $      $Date: 2011/06/14 21:12:21 $
 *
 ***************************************************************************
 * DESCRIPTION:
 * 
 * Parse and maintain the data for selecting atoms.
 *
 ***************************************************************************/
#ifndef ATOMSEL_H
#define ATOMSEL_H

class MoleculeList;
class DrawMolecule;
class ParseTree;
class SymbolTable;
class Timestep;

extern void atomSelParser_init(SymbolTable *);

struct atomsel_ctxt {
  SymbolTable *table;
  DrawMolecule *atom_sel_mol;
  int which_frame;
  const char *singleword;
  atomsel_ctxt(SymbolTable *s, DrawMolecule *d, int frame, const char *word)
  : table(s), atom_sel_mol(d), which_frame(frame), singleword(word) {}
};
 
class AtomSel {
private:
  ParseTree *tree;                 

  // prevent use of these methods.
  AtomSel& operator=(const AtomSel &) { return *this; }
  AtomSel(AtomSel &) : ID(-1) {}
  const int ID;
  SymbolTable *table;              

public:
  char *cmdStr;                    
  int *on;                         
  int molid() const { return ID; } 
  int num_atoms;                   
  int selected;                    
  int firstsel;                    
  int lastsel;                     
 
  enum {TS_LAST = -2, TS_NOW = -1};
  int which_frame;
  int do_update;

  AtomSel(SymbolTable *, int mymolid);
  ~AtomSel();

  enum {NO_PARSE = -1, NO_EVAL=-2, PARSE_SUCCESS = 0};
  
  int change(const char *newcmd, /* const */ DrawMolecule *);

  float *coordinates(MoleculeList *) const;

  Timestep *timestep(MoleculeList *) const;

  static int get_frame_value(const char *s, int *val);
};

int atomsel_custom_singleword(void *v, int num, int *flgs);

#endif

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