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