AFixedDiheRestraint Class Reference

#include <FreeEnergyRestrain.h>

Inheritance diagram for AFixedDiheRestraint:

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 ()

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Detailed Description

Definition at line 373 of file FreeEnergyRestrain.h.

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Member Function Documentation

double AFixedDiheRestraint::GetDiheTarget1

(

)

[inline, virtual]

Implements ADiheRestraint.

Definition at line 388 of file FreeEnergyRestrain.h.

{return(m_RefAngle);}

double AFixedDiheRestraint::GetDiheTarget2

(

)

[inline, virtual]

Implements ADiheRestraint.

Definition at line 389 of file FreeEnergyRestrain.h.

{return(0);}

double AFixedDiheRestraint::GetEnergy

(

)

[virtual]

Implements ARestraint.

Definition at line 999 of file FreeEnergyRestrain.C.

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

                                      {
//---------------------------------------------------------------------------
// return the Energy for this fixed dihedral angle restraint.
//---------------------------------------------------------------------------
  return(GetE(m_RefAngle, m_Kf));
}

AVector AFixedDiheRestraint::GetGradient

(

int

WhichGroup

)

[virtual]

Implements ARestraint.

Definition at line 1007 of file FreeEnergyRestrain.C.

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

                                                       {
//---------------------------------------------------------------------------
// return the gradient for this fixed dihedral angle restraint.
//---------------------------------------------------------------------------
  return(GetGrad(WhichGroup, m_RefAngle, m_Kf));
}

double AFixedDiheRestraint::GetRefAngle

(

)

[inline]

Definition at line 381 of file FreeEnergyRestrain.h.

{return(m_RefAngle);}

void AFixedDiheRestraint::GetStr

(

char *

Str

)

[inline, virtual]

Implements ARestraint.

Definition at line 384 of file FreeEnergyRestrain.h.

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

void AFixedDiheRestraint::SetRefAngle

(

double

Angle

)

[inline, virtual]

Reimplemented from ARestraint.

Definition at line 380 of file FreeEnergyRestrain.h.

{m_RefAngle=Angle;}

Bool_t AFixedDiheRestraint::TwoTargets

(

)

[inline, virtual]

Implements ADiheRestraint.

Definition at line 387 of file FreeEnergyRestrain.h.

References kFalse.

{return(kFalse);}

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

• FreeEnergyRestrain.h
• FreeEnergyRestrain.C