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AFixedAngleRestraint Class Reference

#include <FreeEnergyRestrain.h>

Inheritance diagram for AFixedAngleRestraint:

AnAngleRestraint ARestraint List of all members.

Public Member Functions

void SetRefAngle (double Angle)
double GetRefAngle ()
double GetEnergy ()
AVector GetGradient (int WhichGroup)
void GetStr (char *Str)
double GetAngleTarget ()

Member Function Documentation

double AFixedAngleRestraint::GetAngleTarget (   )  [inline, virtual]
 

Implements AnAngleRestraint.

Definition at line 322 of file FreeEnergyRestrain.h.

00322 {return(m_RefAngle);}

double AFixedAngleRestraint::GetEnergy (   )  [virtual]
 

Implements ARestraint.

Definition at line 920 of file FreeEnergyRestrain.C.

References AnAngleRestraint::GetE().

00920                                        {
00921 //---------------------------------------------------------------------------
00922 // return the Energy for this fixed angle restraint.
00923 //---------------------------------------------------------------------------
00924   return(GetE(m_RefAngle));
00925 }

AVector AFixedAngleRestraint::GetGradient (  int  WhichGroup  )  [virtual]
 

Implements ARestraint.

Definition at line 928 of file FreeEnergyRestrain.C.

References AnAngleRestraint::GetGrad().

00928                                                         {
00929 //---------------------------------------------------------------------------
00930 // return the gradient for this fixed angle restraint.
00931 //---------------------------------------------------------------------------
00932   return(GetGrad(WhichGroup, m_RefAngle));
00933 }

double AFixedAngleRestraint::GetRefAngle (   )  [inline]
 

Definition at line 316 of file FreeEnergyRestrain.h.

00316 {return(m_RefAngle);}

void AFixedAngleRestraint::GetStr (  char *  Str  )  [inline, virtual]
 

Implements ARestraint.

Definition at line 319 of file FreeEnergyRestrain.h.

00319                             {
00320     strcpy(Str, "Fixed   Angle    Restraint");
00321   }

void AFixedAngleRestraint::SetRefAngle (  double  Angle  )  [inline, virtual]
 

Reimplemented from ARestraint.

Definition at line 315 of file FreeEnergyRestrain.h.

References Angle.

00315 {m_RefAngle=Angle;}

The documentation for this class was generated from the following files:
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