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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.

852  {
853  strncpy(type,theType,NAMESIZE+1);
854  typeNum = theTypeNum;
855  resNum = theResNum;
856  strncpy(resType,theResType,NAMESIZE+1);
857  strncpy(atomName,theAtomName,NAMESIZE+1);
858  charge = theCharge;
859  mass = theMass;
860 }
#define NAMESIZE
Definition: GromacsTopFile.h:8

Member Function Documentation

◆ getAtomName()

const char* GenericAtom::getAtomName ( ) const
inline

Definition at line 106 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

106 {return atomName;}

◆ getCharge()

Real GenericAtom::getCharge ( ) const
inline

Definition at line 107 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

107 {return charge;}

◆ getMass()

Real GenericAtom::getMass ( ) const
inline

Definition at line 108 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

108 {return mass;}

◆ getResNum()

int GenericAtom::getResNum ( ) const
inline

Definition at line 104 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

104 {return resNum;}

◆ getResType()

const char* GenericAtom::getResType ( ) const
inline

Definition at line 105 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

105 {return resType;}

◆ getType()

const char* GenericAtom::getType ( ) const
inline

Definition at line 102 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

102 { return type; }

◆ getTypeNum()

int GenericAtom::getTypeNum ( ) const
inline

Definition at line 103 of file GromacsTopFile.h.

Referenced by GromacsTopFile::getAtom().

103 { return typeNum; }

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