src/gromacs/utility/txtdump.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
   5  * Copyright (c) 2001-2004, The GROMACS development team.
   6  * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
   7  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   8  * and including many others, as listed in the AUTHORS file in the
   9  * top-level source directory and at http://www.gromacs.org.
  10  *
  11  * GROMACS is free software; you can redistribute it and/or
  12  * modify it under the terms of the GNU Lesser General Public License
  13  * as published by the Free Software Foundation; either version 2.1
  14  * of the License, or (at your option) any later version.
  15  *
  16  * GROMACS is distributed in the hope that it will be useful,
  17  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  18  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  19  * Lesser General Public License for more details.
  20  *
  21  * You should have received a copy of the GNU Lesser General Public
  22  * License along with GROMACS; if not, see
  23  * http://www.gnu.org/licenses, or write to the Free Software Foundation,
  24  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  25  *
  26  * If you want to redistribute modifications to GROMACS, please
  27  * consider that scientific software is very special. Version
  28  * control is crucial - bugs must be traceable. We will be happy to
  29  * consider code for inclusion in the official distribution, but
  30  * derived work must not be called official GROMACS. Details are found
  31  * in the README & COPYING files - if they are missing, get the
  32  * official version at http://www.gromacs.org.
  33  *
  34  * To help us fund GROMACS development, we humbly ask that you cite
  35  * the research papers on the package. Check out http://www.gromacs.org.
  36  */
  37 #include "gmxpre.h"
  38
  39 /* This file is completely threadsafe - please keep it that way! */
  40
  41 #include "txtdump.h"
  42
  43 #include <cstdio>
  44 #include <cstdlib>
  45
  46 #include "gromacs/utility/cstringutil.h"
  47
  48 int pr_indent(FILE *fp, int n)
  49 {
  50     int i;
  51
  52     for (i = 0; i < n; i++)
  53     {
  54         fprintf(fp, " ");
  55     }
  56     return n;
  57 }
  58
  59 int available(FILE *fp, const void *p, int indent, const char *title)
  60 {
  61     if (!p)
  62     {
  63         if (indent > 0)
  64         {
  65             pr_indent(fp, indent);
  66         }
  67         fprintf(fp, "%s: not available\n", title);
  68     }
  69     return (p != NULL);
  70 }
  71
  72 int pr_title(FILE *fp, int indent, const char *title)
  73 {
  74     pr_indent(fp, indent);
  75     fprintf(fp, "%s:\n", title);
  76     return (indent+INDENT);
  77 }
  78
  79 int pr_title_n(FILE *fp, int indent, const char *title, int n)
  80 {
  81     pr_indent(fp, indent);
  82     fprintf(fp, "%s (%d):\n", title, n);
  83     return (indent+INDENT);
  84 }
  85
  86 int pr_title_nxn(FILE *fp, int indent, const char *title, int n1, int n2)
  87 {
  88     pr_indent(fp, indent);
  89     fprintf(fp, "%s (%dx%d):\n", title, n1, n2);
  90     return (indent+INDENT);
  91 }
  92
  93 void pr_reals(FILE *fp, int indent, const char *title, const real *vec, int n)
  94 {
  95     int i;
  96
  97     if (available(fp, vec, indent, title))
  98     {
  99         pr_indent(fp, indent);
 100         fprintf(fp, "%s:\t", title);
 101         for (i = 0; i < n; i++)
 102         {
 103             fprintf(fp, "  %10g", vec[i]);
 104         }
 105         fprintf(fp, "\n");
 106     }
 107 }
 108
 109 void pr_doubles(FILE *fp, int indent, const char *title, const double *vec, int n)
 110 {
 111     int i;
 112
 113     if (available(fp, vec, indent, title))
 114     {
 115         pr_indent(fp, indent);
 116         fprintf(fp, "%s:\t", title);
 117         for (i = 0; i < n; i++)
 118         {
 119             fprintf(fp, "  %10g", vec[i]);
 120         }
 121         fprintf(fp, "\n");
 122     }
 123 }
 124
 125 void pr_reals_of_dim(FILE *fp, int indent, const char *title, const real *vec, int n, int dim)
 126 {
 127     int         i, j;
 128     const char *fshort = "%12.5e";
 129     const char *flong  = "%15.8e";
 130     const char *format;
 131
 132     if (getenv("GMX_PRINT_LONGFORMAT") != NULL)
 133     {
 134         format = flong;
 135     }
 136     else
 137     {
 138         format = fshort;
 139     }
 140
 141     if (available(fp, vec, indent, title))
 142     {
 143         indent = pr_title_nxn(fp, indent, title, n, dim);
 144         for (i = 0; i < n; i++)
 145         {
 146             pr_indent(fp, indent);
 147             fprintf(fp, "%s[%5d]={", title, i);
 148             for (j = 0; j < dim; j++)
 149             {
 150                 if (j != 0)
 151                 {
 152                     fprintf(fp, ", ");
 153                 }
 154                 fprintf(fp, format, vec[i * dim  + j]);
 155             }
 156             fprintf(fp, "}\n");
 157         }
 158     }
 159 }
 160
 161 void pr_int(FILE *fp, int indent, const char *title, int i)
 162 {
 163     pr_indent(fp, indent);
 164     fprintf(fp, "%-30s = %d\n", title, i);
 165 }
 166
 167 void pr_int64(FILE *fp, int indent, const char *title, gmx_int64_t i)
 168 {
 169     char buf[STEPSTRSIZE];
 170
 171     pr_indent(fp, indent);
 172     fprintf(fp, "%-30s = %s\n", title, gmx_step_str(i, buf));
 173 }
 174
 175 void pr_real(FILE *fp, int indent, const char *title, real r)
 176 {
 177     pr_indent(fp, indent);
 178     fprintf(fp, "%-30s = %g\n", title, r);
 179 }
 180
 181 void pr_double(FILE *fp, int indent, const char *title, double d)
 182 {
 183     pr_indent(fp, indent);
 184     fprintf(fp, "%-30s = %g\n", title, d);
 185 }
 186
 187 void pr_str(FILE *fp, int indent, const char *title, const char *s)
 188 {
 189     pr_indent(fp, indent);
 190     fprintf(fp, "%-30s = %s\n", title, s);
 191 }
 192
 193 void pr_strings(FILE *fp, int indent, const char *title, char ***nm, int n, gmx_bool bShowNumbers)
 194 {
 195     int i;
 196
 197     if (available(fp, nm, indent, title))
 198     {
 199         indent = pr_title_n(fp, indent, title, n);
 200         for (i = 0; i < n; i++)
 201         {
 202             pr_indent(fp, indent);
 203             fprintf(fp, "%s[%d]={name=\"%s\"}\n",
 204                     title, bShowNumbers ? i : -1, *(nm[i]));
 205         }
 206     }
 207 }