AFixedDistRestraint Class Reference

#include <FreeEnergyRestrain.h>

Inheritance diagram for AFixedDistRestraint:

ADistRestraint ARestraint List of all members.

Public Member Functions

void SetRefDist (double Dist)
double GetRefDist ()
double GetEnergy ()
AVector GetGradient (int WhichGroup)
void GetStr (char *Str)
double GetDistTarget ()

Detailed Description

Definition at line 243 of file FreeEnergyRestrain.h.


Member Function Documentation

double AFixedDistRestraint::GetDistTarget (  )  [inline, virtual]

Implements ADistRestraint.

Definition at line 257 of file FreeEnergyRestrain.h.

00257 {return(m_RefDist);}

double AFixedDistRestraint::GetEnergy (  )  [virtual]

Implements ARestraint.

Definition at line 833 of file FreeEnergyRestrain.C.

References ADistRestraint::GetE().

00833                                       {
00834 //---------------------------------------------------------------------------
00835 // return the Energy for this fixed distance restraint.
00836 //---------------------------------------------------------------------------
00837   return(GetE(m_RefDist));
00838 }

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

Implements ARestraint.

Definition at line 841 of file FreeEnergyRestrain.C.

References ADistRestraint::GetGrad().

00841                                                        {
00842 //---------------------------------------------------------------------------
00843 // return the gradient for this fixed distance restraint.
00844 //---------------------------------------------------------------------------
00845   return(GetGrad(WhichGroup, m_RefDist));
00846 }

double AFixedDistRestraint::GetRefDist (  )  [inline]

Definition at line 251 of file FreeEnergyRestrain.h.

00251 {return(m_RefDist);}

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

Implements ARestraint.

Definition at line 254 of file FreeEnergyRestrain.h.

00254                             {
00255     strcpy(Str, "Fixed   Distance Restraint");
00256   }

void AFixedDistRestraint::SetRefDist ( double  Dist  )  [inline, virtual]

Reimplemented from ARestraint.

Definition at line 250 of file FreeEnergyRestrain.h.

00250 {m_RefDist=Dist;}


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