AFixedDiheRestraint Class Reference

#include <FreeEnergyRestrain.h>

Inheritance diagram for AFixedDiheRestraint:

ADiheRestraint ARestraint List of all members.

Public Member Functions

void SetRefAngle (double Angle)
double GetRefAngle ()
double GetEnergy ()
AVector GetGradient (int WhichGroup)
void GetStr (char *Str)
Bool_t TwoTargets ()
double GetDiheTarget1 ()
double GetDiheTarget2 ()

Detailed Description

Definition at line 373 of file FreeEnergyRestrain.h.


Member Function Documentation

double AFixedDiheRestraint::GetDiheTarget1 (  )  [inline, virtual]

Implements ADiheRestraint.

Definition at line 388 of file FreeEnergyRestrain.h.

00388 {return(m_RefAngle);}

double AFixedDiheRestraint::GetDiheTarget2 (  )  [inline, virtual]

Implements ADiheRestraint.

Definition at line 389 of file FreeEnergyRestrain.h.

00389 {return(0);}

double AFixedDiheRestraint::GetEnergy (  )  [virtual]

Implements ARestraint.

Definition at line 1003 of file FreeEnergyRestrain.C.

References ADiheRestraint::GetE(), and ARestraint::m_Kf.

01003                                       {
01004 //---------------------------------------------------------------------------
01005 // return the Energy for this fixed dihedral angle restraint.
01006 //---------------------------------------------------------------------------
01007   return(GetE(m_RefAngle, m_Kf));
01008 }

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

Implements ARestraint.

Definition at line 1011 of file FreeEnergyRestrain.C.

References ADiheRestraint::GetGrad(), and ARestraint::m_Kf.

01011                                                        {
01012 //---------------------------------------------------------------------------
01013 // return the gradient for this fixed dihedral angle restraint.
01014 //---------------------------------------------------------------------------
01015   return(GetGrad(WhichGroup, m_RefAngle, m_Kf));
01016 }

double AFixedDiheRestraint::GetRefAngle (  )  [inline]

Definition at line 381 of file FreeEnergyRestrain.h.

00381 {return(m_RefAngle);}

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

Implements ARestraint.

Definition at line 384 of file FreeEnergyRestrain.h.

00384                             {
00385     strcpy(Str, "Fixed   Dihedral Restraint");
00386   }

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

Reimplemented from ARestraint.

Definition at line 380 of file FreeEnergyRestrain.h.

00380 {m_RefAngle=Angle;}

Bool_t AFixedDiheRestraint::TwoTargets (  )  [inline, virtual]

Implements ADiheRestraint.

Definition at line 387 of file FreeEnergyRestrain.h.

References kFalse.

00387 {return(kFalse);}


The documentation for this class was generated from the following files:
Generated on Sat Sep 23 01:17:17 2017 for NAMD by  doxygen 1.4.7