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 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include <stdio.h>
  44 #include "typedefs.h"
  45 #include "tpxio.h"
  46
  47 #ifdef __cplusplus
  48 extern "C" {
  49 #endif
  50
  51
  52 #define LINE_WIDTH      80
  53 #define RMARGIN         10
  54 #define USE_WIDTH       ((LINE_WIDTH)-(RMARGIN))
  55 #define INDENT          3
  56
  57 int pr_indent(FILE *fp,int n);
  58 int available(FILE *fp,void *p,int indent,const char *title);
  59 int pr_title(FILE *fp,int indent,const char *title);
  60 int pr_title_n(FILE *fp,int indent,const char *title,int n);
  61 int pr_title_nxn(FILE *fp,int indent,const char *title,int n1,int n2);
  62 void pr_ivec(FILE *fp,int indent,const char *title,int vec[],int n, bool bShowNumbers);
  63 void pr_ivecs(FILE *fp,int indent,const char *title,ivec vec[],int n, bool bShowNumbers);
  64 void pr_bvec(FILE *fp,int indent,const char *title,bool vec[],int n, bool bShowNnumbers);
  65 void pr_rvec(FILE *fp,int indent,const char *title,real vec[],int n, bool bShowNumbers);
  66 void pr_dvec(FILE *fp,int indent,const char *title,double vec[],int n, bool bShowNumbers);
  67 void pr_rvecs(FILE *fp,int indent,const char *title,rvec vec[],int n);
  68 void pr_rvecs_len(FILE *fp,int indent,const char *title,rvec vec[],int n);
  69 void pr_reals(FILE *fp,int indent,const char *title,real vec[],int n);
  70 void pr_doubles(FILE *fp,int indent,const char *title,double *vec,int n);
  71 void pr_block(FILE *fp,int indent,const char *title,t_block *block,bool bShowNumbers);
  72 void pr_blocka(FILE *fp,int indent,const char *title,t_blocka *block,bool bShowNumbers);
  73 void pr_ilist(FILE *fp,int indent,const char *title,
  74                t_functype *functype,t_ilist *ilist, bool bShowNumbers);
  75 void pr_iparams(FILE *fp,t_functype ftype,t_iparams *iparams);
  76 void pr_idef(FILE *fp,int indent,const char *title,t_idef *idef, bool bShowNumbers);
  77 void pr_inputrec(FILE *fp,int indent,const char *title,t_inputrec *ir,
  78                  bool bMDPformat);
  79 void pr_atoms(FILE *fp,int indent,const char *title,t_atoms *atoms,
  80               bool bShownumbers);
  81 void pr_atomtypes(FILE *fp,int indent,const char *title,
  82                   t_atomtypes *atomtypes,bool bShowNumbers);
  83 void pr_mtop(FILE *fp,int indent,const char *title,gmx_mtop_t *mtop,
  84              bool bShowNumbers);
  85 void pr_top(FILE *fp,int indent,const char *title,t_topology *top, bool bShowNumbers);
  86 /*
  87  * This routine prints out a (human) readable representation of
  88  * the topology to the file fp. Ident specifies the number of
  89  * spaces the text should be indented. Title is used to print a
  90  * header text.
  91  */
  92 void pr_header(FILE *fp,int indent,const char *title,t_tpxheader *sh);
  93 /*
  94  * This routine prints out a (human) readable representation of
  95  * a header to the file fp. Ident specifies the number of spaces
  96  * the text should be indented. Title is used to print a header text.
  97  */
  98
  99 void pr_commrec(FILE *fp,int indent,t_commrec *cr);
 100
 101 #ifdef __cplusplus
 102 }
 103 #endif
 104
 105 #endif  /* _txtdump_h */