Revised wording in pdb2gmx.c, hopefully clearer now.
[gromacs/rigid-bodies.git] / src / gmxlib / gmxfio_bin.c
bloba072d4fd60e1bb3e32331eaa7efdd41d44424d3e
1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
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 3.2.0
11 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
12 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
13 * Copyright (c) 2001-2004, The GROMACS development team,
14 * check out http://www.gromacs.org for more information.
16 * This program is free software; you can redistribute it and/or
17 * modify it under the terms of the GNU General Public License
18 * as published by the Free Software Foundation; either version 2
19 * of the License, or (at your option) any later version.
21 * If you want to redistribute modifications, please consider that
22 * scientific software is very special. Version control is crucial -
23 * bugs must be traceable. We will be happy to consider code for
24 * inclusion in the official distribution, but derived work must not
25 * be called official GROMACS. Details are found in the README & COPYING
26 * files - if they are missing, get the official version at www.gromacs.org.
28 * To help us fund GROMACS development, we humbly ask that you cite
29 * the papers on the package - you can find them in the top README file.
31 * For more info, check our website at http://www.gromacs.org
33 * And Hey:
34 * GROningen Mixture of Alchemy and Childrens' Stories
36 #ifdef HAVE_CONFIG_H
37 #include <config.h>
38 #endif
40 #include <ctype.h>
41 #include <stdio.h>
42 #include <errno.h>
43 #ifdef HAVE_IO_H
44 #include <io.h>
45 #endif
47 #include "gmx_fatal.h"
48 #include "macros.h"
49 #include "smalloc.h"
50 #include "futil.h"
51 #include "filenm.h"
52 #include "string2.h"
53 #include "gmxfio.h"
54 #include "md5.h"
56 #ifdef GMX_THREADS
57 #include "thread_mpi.h"
58 #endif
60 #include "gmxfio_int.h"
62 /* This is the part that reads dummy and ascii files. */
65 static gmx_bool do_binread(t_fileio *fio, void *item, int nitem, int eio,
66 const char *desc, const char *srcfile, int line);
67 static gmx_bool do_binwrite(t_fileio *fio, const void *item, int nitem, int eio,
68 const char *desc, const char *srcfile, int line);
71 const t_iotype bin_iotype={do_binread, do_binwrite};
74 static gmx_bool do_binwrite(t_fileio *fio, const void *item, int nitem, int eio,
75 const char *desc, const char *srcfile, int line)
77 size_t size = 0, wsize;
78 int ssize;
80 gmx_fio_check_nitem(fio, eio, nitem, srcfile, line);
81 switch (eio)
83 case eioREAL:
84 size = sizeof(real);
85 break;
86 case eioFLOAT:
87 size = sizeof(float);
88 break;
89 case eioDOUBLE:
90 size = sizeof(double);
91 break;
92 case eioINT:
93 size = sizeof(int);
94 break;
95 case eioGMX_LARGE_INT:
96 size = sizeof(gmx_large_int_t);
97 break;
98 case eioUCHAR:
99 size = sizeof(unsigned char);
100 break;
101 case eioNUCHAR:
102 size = sizeof(unsigned char);
103 break;
104 case eioUSHORT:
105 size = sizeof(unsigned short);
106 break;
107 case eioRVEC:
108 size = sizeof(rvec);
109 break;
110 case eioNRVEC:
111 size = sizeof(rvec);
112 break;
113 case eioIVEC:
114 size = sizeof(ivec);
115 break;
116 case eioSTRING:
117 size = ssize = strlen((char *) item) + 1;
118 do_binwrite(fio, &ssize, 1, eioINT, desc, srcfile, line);
119 break;
120 default:
121 gmx_fio_fe(fio, eio, desc, srcfile, line);
124 wsize = fwrite(item, size, nitem, fio->fp);
126 if ((wsize != nitem) && fio->bDebug)
128 fprintf(stderr,
129 "Error writing %s %s to file %s (source %s, line %d)\n",
130 eioNames[eio], desc, fio->fn, srcfile, line);
131 fprintf(stderr, "written size %u bytes, source size %u bytes\n",
132 (unsigned int) wsize, (unsigned int) size);
134 return (wsize == nitem);
137 static gmx_bool do_binread(t_fileio *fio, void *item, int nitem, int eio,
138 const char *desc, const char *srcfile, int line)
140 size_t size = 0, rsize;
141 int ssize;
143 gmx_fio_check_nitem(fio, eio, nitem, srcfile, line);
144 switch (eio)
146 case eioREAL:
147 if (fio->bDouble)
148 size = sizeof(double);
149 else
150 size = sizeof(float);
151 break;
152 case eioFLOAT:
153 size = sizeof(float);
154 break;
155 case eioDOUBLE:
156 size = sizeof(double);
157 break;
158 case eioINT:
159 size = sizeof(int);
160 break;
161 case eioGMX_LARGE_INT:
162 size = sizeof(gmx_large_int_t);
163 break;
164 case eioUCHAR:
165 size = sizeof(unsigned char);
166 break;
167 case eioNUCHAR:
168 size = sizeof(unsigned char);
169 break;
170 case eioUSHORT:
171 size = sizeof(unsigned short);
172 break;
173 case eioRVEC:
174 case eioNRVEC:
175 if (fio->bDouble)
176 size = sizeof(double) * DIM;
177 else
178 size = sizeof(float) * DIM;
179 break;
180 case eioIVEC:
181 size = sizeof(ivec);
182 break;
183 case eioSTRING:
184 do_binread(fio, &ssize, 1, eioINT, desc, srcfile, line);
185 size = ssize;
186 break;
187 default:
188 gmx_fio_fe(fio, eio, desc, srcfile, line);
190 if (item)
191 rsize = fread(item, size, nitem, fio->fp);
192 else
194 /* Skip over it if we have a NULL pointer here */
195 gmx_fseek(fio->fp, (gmx_off_t)(size*nitem), SEEK_CUR);
196 rsize = nitem;
198 if ((rsize != nitem) && (fio->bDebug))
199 fprintf(stderr,
200 "Error reading %s %s from file %s (source %s, line %d)\n",
201 eioNames[eio], desc, fio->fn, srcfile, line);
203 return (rsize == nitem);