Exemplo n.º 1
0
Arquivo: anaf.c Projeto: Ruyk/gromacs
int main(int argc,char *argv[])
{
  static char *desc[] = {
    "[TT]gmxdump[tt] reads a run input file ([TT].tpa[tt]/[TT].tpr[tt]/[TT].tpb[tt]),",
    "a trajectory ([TT].trj[tt]/[TT].trr[tt]/[TT].xtc[tt]) or an energy",
    "file ([TT].ene[tt]/[TT].edr[tt]) and prints that to standard",
    "output in a readable format. This program is essential for",
    "checking your run input file in case of problems.[PAR]"
  };
  t_filenm fnm[] = {
    { efTRN, "-f", NULL, ffOPTRD }
  };
#define NFILE asize(fnm)
  char *fn;
  
  /* Command line options */
  
  CopyRight(stdout,argv[0]);
  parse_common_args(&argc,argv,0,NFILE,fnm,0,NULL,
		    asize(desc),desc,0,NULL);
  
  if (ftp2bSet(efTRN,NFILE,fnm)) {
    fn = ftp2fn(efTRN,NFILE,fnm);
    printf("Going to open %s\n",fn);
    list_trn(fn);
  }
  
  thanx(stderr);

  return 0;
}
Exemplo n.º 2
0
void list_trx(char *fn,bool bXVG)
{
  int ftp;
  
  ftp = fn2ftp(fn);
  if (ftp == efXTC)
    list_xtc(fn,bXVG);
  else if ((ftp == efTRR) || (ftp == efTRJ))
    list_trn(fn);
  else
    fprintf(stderr,"File %s not supported. Try using more %s\n",
	    fn,fn);
}
Exemplo n.º 3
0
void list_trx(const char *fn)
{
    switch (fn2ftp(fn))
    {
    case efXTC:
        list_xtc(fn);
        break;
    case efTRR:
        list_trn(fn);
        break;
    case efTNG:
        list_tng(fn);
        break;
    default:
        fprintf(stderr, "File %s is of an unsupported type. Try using the command\n 'less %s'\n",
                fn, fn);
    }
}
Exemplo n.º 4
0
void list_trx(const char *fn, gmx_bool bXVG)
{
    int ftp;

    ftp = fn2ftp(fn);
    if (ftp == efXTC)
    {
        list_xtc(fn, bXVG);
    }
    else if ((ftp == efTRR) || (ftp == efTRJ))
    {
        list_trn(fn);
    }
    else
    {
        fprintf(stderr, "File %s is of an unsupported type. Try using the command\n 'less %s'\n",
                fn, fn);
    }
}