GenericAtom Class Reference

#include <GromacsTopFile.h>

Public Member Functions
	GenericAtom (const char *theType, int theTypeNum, int theResNum, const char *theResType, const char *theAtomName, Real theCharge, Real theMass)
const char *	getType () const
int	getTypeNum () const
int	getResNum () const
const char *	getResType () const
const char *	getAtomName () const
Real	getCharge () const
Real	getMass () const

Detailed Description

Definition at line 82 of file GromacsTopFile.h.

Constructor & Destructor Documentation

GenericAtom()

GenericAtom::GenericAtom	(	const char *	theType,
		int	theTypeNum,
		int	theResNum,
		const char *	theResType,
		const char *	theAtomName,
		Real	theCharge,
		Real	theMass
	)

Definition at line 850 of file GromacsTopFile.C.

References NAMESIZE.

                                                       {
  strncpy(type,theType,NAMESIZE+1);
  typeNum = theTypeNum;
  resNum = theResNum;
  strncpy(resType,theResType,NAMESIZE+1);
  strncpy(atomName,theAtomName,NAMESIZE+1);
  charge = theCharge;
  mass = theMass;
}

Member Function Documentation

getAtomName()

const char* GenericAtom::getAtomName ( ) const

inline

Definition at line 106 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

{return atomName;}

getCharge()

Real GenericAtom::getCharge ( ) const

inline

Definition at line 107 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

{return charge;}

getMass()

Real GenericAtom::getMass ( ) const

inline

Definition at line 108 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

{return mass;}

getResNum()

int GenericAtom::getResNum ( ) const

inline

Definition at line 104 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

{return resNum;}

getResType()

const char* GenericAtom::getResType ( ) const

inline

Definition at line 105 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

{return resType;}

getType()

const char* GenericAtom::getType ( ) const

inline

Definition at line 102 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

{ return type; }

getTypeNum()

int GenericAtom::getTypeNum ( ) const

inline

Definition at line 103 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

{ return typeNum; }

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

• GromacsTopFile.h
• GromacsTopFile.C