MolInst Class Reference

#include <GromacsTopFile.h>

Public Member Functions
	MolInst (const GenericMol *theMol, int theNum)
int	getNum () const
int	getNumAtoms () const
int	getNumRes () const
int	getNumBonds () const
int	getNumAngles () const
int	getNumDihedrals () const
const GenericMol *	getMol () const

Detailed Description

Definition at line 177 of file GromacsTopFile.h.

Constructor & Destructor Documentation

MolInst()

MolInst::MolInst	(	const GenericMol *	theMol,
		int	theNum
	)

Definition at line 961 of file GromacsTopFile.C.

                                                     {
  mol = theMol;
  num = theNum;
}

Member Function Documentation

getMol()

const GenericMol* MolInst::getMol ( ) const

inline

Definition at line 195 of file GromacsTopFile.h.

Referenced by getNumAngles(), getNumAtoms(), getNumBonds(), getNumDihedrals(), and getNumRes().

{ return mol; }

getNum()

int MolInst::getNum ( ) const

inline

Definition at line 185 of file GromacsTopFile.h.

Referenced by getNumAngles(), getNumAtoms(), getNumBonds(), getNumDihedrals(), and getNumRes().

{ return num; }

getNumAngles()

int MolInst::getNumAngles

(

)

const

Definition at line 973 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumAngles().

                                {
  return getMol()->getNumAngles() * getNum();
}

getNumAtoms()

int MolInst::getNumAtoms

(

)

const

Definition at line 967 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumAtoms().

                               {
  return getMol()->getNumAtoms() * getNum();
}

getNumBonds()

int MolInst::getNumBonds

(

)

const

Definition at line 970 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumBonds().

                               {
  return getMol()->getNumBonds() * getNum();
}

getNumDihedrals()

int MolInst::getNumDihedrals

(

)

const

Definition at line 976 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumDihedrals().

                                   {
  return getMol()->getNumDihedrals() * getNum();
}

getNumRes()

int MolInst::getNumRes

(

)

const

Definition at line 979 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumRes().

                             {
  return getMol()->getNumRes()
    * getNum();
}

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

• GromacsTopFile.h
• GromacsTopFile.C