BALL
1.4.1
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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