src/gmxlib/sheader.c

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29 static char *SRCID_sheader_c = "$Id$";
  30
  31 #include <string.h>
  32 #include "sheader.h"
  33 #include "txtdump.h"
  34 #include "tpxio.h"
  35
  36 static char *version="@(#) sheader.c 1.5 12/16/92";
  37
  38 void pr_header(FILE *fp,int indent,char *title,t_tpxheader *sh)
  39 {
  40   if (available(fp,sh,title))
  41     {
  42       indent=pr_title(fp,indent,title);
  43       pr_indent(fp,indent);
  44       fprintf(fp,"bIr    = %spresent\n",sh->bIr?"":"not ");
  45       pr_indent(fp,indent);
  46       fprintf(fp,"bBox   = %spresent\n",sh->bBox?"":"not ");
  47       pr_indent(fp,indent);
  48       fprintf(fp,"bTop   = %spresent\n",sh->bTop?"":"not ");
  49       pr_indent(fp,indent);
  50       fprintf(fp,"bX     = %spresent\n",sh->bX?"":"not ");
  51       pr_indent(fp,indent);
  52       fprintf(fp,"bV     = %spresent\n",sh->bV?"":"not ");
  53       pr_indent(fp,indent);
  54       fprintf(fp,"bF     = %spresent\n",sh->bF?"":"not ");
  55
  56       pr_indent(fp,indent);
  57       fprintf(fp,"natoms = %d\n",sh->natoms);
  58       pr_indent(fp,indent);
  59       fprintf(fp,"step   = %d\n",sh->step);
  60       pr_indent(fp,indent);
  61       fprintf(fp,"t      = %e\n",sh->t);
  62       pr_indent(fp,indent);
  63       fprintf(fp,"lambda = %e\n",sh->lambda);
  64     }
  65 }