include/txtdump.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
   8  *
   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
  16  * modify it under the terms of the GNU General Public License
  17  * as published by the Free Software Foundation; either version 2
  18  * of the License, or (at your option) any later version.
  19  *
  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
  22  * bugs must be traceable. We will be happy to consider code for
  23  * inclusion in the official distribution, but derived work must not
  24  * be called official GROMACS. Details are found in the README & COPYING
  25  * files - if they are missing, get the official version at www.gromacs.org.
  26  *
  27  * To help us fund GROMACS development, we humbly ask that you cite
  28  * the papers on the package - you can find them in the top README file.
  29  *
  30  * For more info, check our website at http://www.gromacs.org
  31  *
  32  * And Hey:
  33  * Gromacs Runs On Most of All Computer Systems
  34  */
  35
  36 #ifndef _txtdump_h
  37 #define _txtdump_h
  38
  39
  40 #include <stdio.h>
  41 #include "typedefs.h"
  42 #include "tpxio.h"
  43
  44 #ifdef __cplusplus
  45 extern "C" {
  46 #endif
  47
  48
  49 #define LINE_WIDTH      80
  50 #define RMARGIN         10
  51 #define USE_WIDTH       ((LINE_WIDTH)-(RMARGIN))
  52 #define INDENT          3
  53
  54 int pr_indent(FILE *fp,int n);
  55 int available(FILE *fp,void *p,int indent,const char *title);
  56 int pr_title(FILE *fp,int indent,const char *title);
  57 int pr_title_n(FILE *fp,int indent,const char *title,int n);
  58 int pr_title_nxn(FILE *fp,int indent,const char *title,int n1,int n2);
  59 void pr_ivec(FILE *fp,int indent,const char *title,int vec[],int n, gmx_bool bShowNumbers);
  60 void pr_ivecs(FILE *fp,int indent,const char *title,ivec vec[],int n, gmx_bool bShowNumbers);
  61 void pr_bvec(FILE *fp,int indent,const char *title,gmx_bool vec[],int n, gmx_bool bShowNnumbers);
  62 void pr_rvec(FILE *fp,int indent,const char *title,real vec[],int n, gmx_bool bShowNumbers);
  63 void pr_dvec(FILE *fp,int indent,const char *title,double vec[],int n, gmx_bool bShowNumbers);
  64 void pr_rvecs(FILE *fp,int indent,const char *title,rvec vec[],int n);
  65 void pr_rvecs_len(FILE *fp,int indent,const char *title,rvec vec[],int n);
  66 void pr_reals(FILE *fp,int indent,const char *title,real vec[],int n);
  67 void pr_doubles(FILE *fp,int indent,const char *title,double *vec,int n);
  68 void pr_block(FILE *fp,int indent,const char *title,t_block *block,gmx_bool bShowNumbers);
  69 void pr_blocka(FILE *fp,int indent,const char *title,t_blocka *block,gmx_bool bShowNumbers);
  70 void pr_ilist(FILE *fp,int indent,const char *title,
  71                t_functype *functype,t_ilist *ilist, gmx_bool bShowNumbers);
  72 void pr_iparams(FILE *fp,t_functype ftype,t_iparams *iparams);
  73 void pr_idef(FILE *fp,int indent,const char *title,t_idef *idef, gmx_bool bShowNumbers);
  74 void pr_inputrec(FILE *fp,int indent,const char *title,t_inputrec *ir,
  75                  gmx_bool bMDPformat);
  76 void pr_atoms(FILE *fp,int indent,const char *title,t_atoms *atoms,
  77               gmx_bool bShownumbers);
  78 void pr_atomtypes(FILE *fp,int indent,const char *title,
  79                   t_atomtypes *atomtypes,gmx_bool bShowNumbers);
  80 void pr_mtop(FILE *fp,int indent,const char *title,gmx_mtop_t *mtop,
  81              gmx_bool bShowNumbers);
  82 void pr_top(FILE *fp,int indent,const char *title,t_topology *top, gmx_bool bShowNumbers);
  83 /*
  84  * This routine prints out a (human) readable representation of
  85  * the topology to the file fp. Ident specifies the number of
  86  * spaces the text should be indented. Title is used to print a
  87  * header text.
  88  */
  89 void pr_header(FILE *fp,int indent,const char *title,t_tpxheader *sh);
  90 /*
  91  * This routine prints out a (human) readable representation of
  92  * a header to the file fp. Ident specifies the number of spaces
  93  * the text should be indented. Title is used to print a header text.
  94  */
  95
  96 void pr_commrec(FILE *fp,int indent,t_commrec *cr);
  97
  98 #ifdef __cplusplus
  99 }
 100 #endif
 101
 102 #endif  /* _txtdump_h */