BALL  1.4.1
amberBend.h
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00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 // Molecular Mechanics: Amber force field, bond stretch component
00005 
00006 #ifndef BALL_MOLMEC_AMBER_AMBERBEND_H
00007 #define BALL_MOLMEC_AMBER_AMBERBEND_H
00008 
00009 #ifndef BALL_COMMON_H
00010 # include <BALL/common.h>
00011 #endif
00012 
00013 #ifndef BALL_MOLMEC_COMMON_FORCEFIELDCOMPONENT_H
00014 # include <BALL/MOLMEC/COMMON/bendComponent.h>
00015 #endif
00016 
00017 namespace BALL 
00018 {
00023   class BALL_EXPORT AmberBend : public BendComponent
00024   {
00025     public:
00026 
00027     BALL_CREATE(AmberBend)
00028 
00029     
00030     #define AMBER_BEND_ENABLED "enable Bends"
00031 
00035 
00038     AmberBend();
00039 
00042     AmberBend(ForceField& force_field);
00043 
00046     virtual ~AmberBend();
00047 
00049 
00053 
00056     virtual bool setup()
00057       throw(Exception::TooManyErrors);
00058 
00060   };
00061 } // namespace BALL
00062 
00063 #endif // BALL_MOLMEC_AMBER_AMBERBEND_H
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