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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

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().

01123                                                  {
01124   if(num>=mArray.size() || num<0) {
01125     fprintf(stderr,"atomParam index %d out of bounds!\n",num);
01126     exit(1);
01127   }
01128   strncpy(type,typeArray[num],NAMESIZE+1);
01129 }

int AtomTable::size (   )  const [inline]
 

Definition at line 225 of file GromacsTopFile.h.

References ResizeArray< Elem >::size().

Referenced by GromacsTopFile::getNumAtomParams().

00225 { return mArray.size(); }

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