AtomTable Class Reference

#include <GromacsTopFile.h>

List of all members.

Public Member Functions
void	addType (const char *type, Real m, Real q, Real c6, Real c12)
int	getParams (const char *type, Real *m, Real *q, Real *c6, Real *c12) const
void	getType (int num, char *type) const
int	size () const

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Member Function Documentation

void AtomTable::addType (  const char *  type, Real  m, Real  q, Real  c6, Real  c12 )

Referenced by GromacsTopFile::GromacsTopFile().

int AtomTable::getParams (  const char *  type, Real *  m, Real *  q, Real *  c6, Real *  c12 )  const

Referenced by GromacsTopFile::getVDWParams(), and GromacsTopFile::GromacsTopFile().

void AtomTable::getType (  int  num, char *  type )  const

Definition at line 1123 of file GromacsTopFile.C. References NAMESIZE, and ResizeArray< Elem >::size(). Referenced by GromacsTopFile::getAtomParams(). { if(num>=mArray.size() || num<0) { fprintf(stderr,"atomParam index %d out of bounds!\n",num); exit(1); } strncpy(type,typeArray[num],NAMESIZE+1); }

int AtomTable::size (   )  const [inline]

Definition at line 225 of file GromacsTopFile.h. References ResizeArray< Elem >::size(). Referenced by GromacsTopFile::getNumAtomParams(). { return mArray.size(); }

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

• GromacsTopFile.h
• GromacsTopFile.C

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