GeometryDihedral.h Source File

00001 /***************************************************************************
00002  *cr                                                                       
00003  *cr            (C) Copyright 1995-2019 The Board of Trustees of the           
00004  *cr                        University of Illinois                       
00005  *cr                         All Rights Reserved                        
00006  *cr                                                                   
00007  ***************************************************************************/
00008 
00009 /***************************************************************************
00010  * RCS INFORMATION:
00011  *
00012  *      $RCSfile: GeometryDihedral.h,v $
00013  *      $Author: johns $        $Locker:  $                $State: Exp $
00014  *      $Revision: 1.25 $      $Date: 2019/01/17 21:20:59 $
00015  *
00016  ***************************************************************************
00017  * DESCRIPTION:
00018  *
00019  * Measures the angle between four atoms, and draws a marker for the dihedral
00020  * into the display list for a given Displayable.
00021  *
00022  ***************************************************************************/
00023 #ifndef GEOMETRYDIHE_H
00024 #define GEOMETRYDIHE_H
00025 
00026 #include "GeometryMol.h"
00027 
00029 class GeometryDihedral : public GeometryMol {
00030 
00031 public:
00033   GeometryDihedral(int *, int *, const int *cell, MoleculeList *, CommandQueue *, Displayable *);
00034   
00035   // public virtual routines
00036   virtual float calculate(void);  
00037   virtual void create_cmd_list(); 
00038   virtual void set_pick(void);    
00039 };
00040 
00041 #endif
00042