AFixedPosRestraint Class Reference

#include <FreeEnergyRestrain.h>

Inheritance diagram for AFixedPosRestraint:

APosRestraint ARestraint List of all members.

Public Member Functions

void SetRefPos (AVector Pos)
AVector GetRefPos ()
double GetEnergy ()
AVector GetGradient (int WhichGroup)
void GetStr (char *Str)
AVector GetPosTarget ()
double GetDistance ()

Detailed Description

Definition at line 169 of file FreeEnergyRestrain.h.


Member Function Documentation

double AFixedPosRestraint::GetDistance (  )  [inline, virtual]

Implements APosRestraint.

Definition at line 184 of file FreeEnergyRestrain.h.

References AVector::Dist(), and ARestraint::m_pCOMs.

00184 {return(m_RefPos.Dist(m_pCOMs[0]));}

double AFixedPosRestraint::GetEnergy (  )  [virtual]

Implements ARestraint.

Definition at line 731 of file FreeEnergyRestrain.C.

References APosRestraint::GetE().

00731                                      {
00732 //--------------------------------------------------------------------
00733 // return the Energy for this fixed position restraint.
00734 //--------------------------------------------------------------------
00735   return(GetE(m_RefPos));
00736 }

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

Implements ARestraint.

Definition at line 739 of file FreeEnergyRestrain.C.

References APosRestraint::GetGrad().

00739                                                       {
00740 //-------------------------------------------------------------------------
00741 // return the Gradient for this fixed position restraint.
00742 //-------------------------------------------------------------------------
00743   return(GetGrad(WhichGroup, m_RefPos));
00744 }

AVector AFixedPosRestraint::GetPosTarget (  )  [inline, virtual]

Implements APosRestraint.

Definition at line 183 of file FreeEnergyRestrain.h.

00183 {return(m_RefPos);}

AVector AFixedPosRestraint::GetRefPos (  )  [inline]

Definition at line 177 of file FreeEnergyRestrain.h.

00177 {return(m_RefPos);}

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

Implements ARestraint.

Definition at line 180 of file FreeEnergyRestrain.h.

00180                             {
00181     strcpy(Str, "Fixed   Position Restraint");
00182   }

void AFixedPosRestraint::SetRefPos ( AVector  Pos  )  [inline, virtual]

Reimplemented from ARestraint.

Definition at line 176 of file FreeEnergyRestrain.h.

00176 {m_RefPos=Pos;}


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