added Verlet scheme and NxN non-bonded functionality
[gromacs.git] / include / futil.h
blob8d214353412d63a97c50bd64e5d172711b53f457
1 /*
2 *
3 * This source code is part of
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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.
15 * This program is free software; you can redistribute it and/or
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36 #ifndef _futil_h
37 #define _futil_h
39 #include <stdio.h>
40 #include "typedefs.h"
41 #include "types/commrec.h"
43 #ifdef __cplusplus
44 extern "C" {
45 #endif
46 #if 0
48 #endif
50 /* Native windows uses backslash path separators.
51 * Cygwin and everybody else in the world use slash.
52 * When reading the PATH environment variable, Unix separates entries
53 * with colon, while windows uses semicolon.
55 #include "gmx_header_config.h"
56 #ifdef GMX_NATIVE_WINDOWS
57 #define DIR_SEPARATOR '\\'
58 #define PATH_SEPARATOR ";"
59 #else
60 #define DIR_SEPARATOR '/'
61 #define PATH_SEPARATOR ":"
62 #endif
65 /* Now get the maximum path size. */
66 #ifdef PATH_MAX
67 # define GMX_PATH_MAX PATH_MAX
68 #elif defined MAX_PATH
69 # define GMX_PATH_MAX MAX_PATH
70 #else
71 # define GMX_PATH_MAX 4096
72 #endif
75 #ifdef HAVE_FSEEKO
76 typedef off_t gmx_off_t;
77 # define SIZEOF_GMX_OFF_T SIZEOF_OFF_T
78 #elif defined HAVE__FSEEKI64
79 typedef __int64 gmx_off_t;
80 # define SIZEOF_GMX_OFF_T 8
81 #else
82 /* Almost certainly 64 bits, and guaranteed to be available */
83 typedef gmx_large_int_t gmx_off_t;
84 # define SIZEOF_GMX_OFF_T SIZEOF_GMX_LARGE_INT
85 #endif
89 void no_buffers(void);
90 /* Turn off buffering of files (which is default) for debugging purposes */
92 gmx_bool gmx_fexist(const char *fname);
93 /* Return TRUE when fname exists, FALSE otherwise */
95 gmx_bool gmx_fexist_master(const char *fname, t_commrec *cr);
96 /* Return TRUE when fname exists, FALSE otherwise, bcast from master to others */
98 gmx_bool gmx_eof(FILE *fp);
99 /* Return TRUE on end-of-file, FALSE otherwise */
101 gmx_bool is_pipe(FILE *fp);
102 /* Check whether the file (opened by ffopen) is a pipe */
104 /* Make a backup of file if necessary.
105 Return false if there was a problem.
107 gmx_bool make_backup(const char * file);
109 FILE *ffopen(const char *file, const char *mode);
110 /* Return a valid file pointer when successful, exits otherwise
111 * If the file is in compressed format, open a pipe which uncompresses
112 * the file! Therefore, files must be closed with ffclose (see below)
115 int ffclose(FILE *fp);
116 /* Close files or pipes */
119 void frewind(FILE *fp);
120 /* Does not rewind pipes, but does so for normal files */
122 #define rewind frewind
125 int gmx_fseek(FILE *stream, gmx_off_t offset, int whence);
126 /* OS-independent fseek. 64-bit when available */
128 gmx_off_t gmx_ftell(FILE *stream);
129 /* OS-independent fseek. 64-bit when available. */
132 gmx_bool is_pipe(FILE *fp);
134 char *gmxlibfn(const char *file);
135 /* allocates and returns a string with the full file name for a library file */
137 FILE *libopen(const char *file);
138 /* Open a library file for reading. This looks in the current directory
139 * first, and then in the library directory. If the file is not found,
140 * it terminates with a fatal_error
143 /* Opaque data type to list directories */
144 typedef struct gmx_directory *
145 gmx_directory_t;
147 /* Open a directory for reading. The first argument should be a pointer
148 * to a declared gmx_directory_t variable. Returns 0 on success.
151 gmx_directory_open(gmx_directory_t *p_gmxdir,const char *dirname);
154 /* Given an initialized gmx_directory_t, if there are more files in
155 * the directory this routine returns 0 and write the next name
156 * into the USER-PROVIDED buffer name. The last argument is the max
157 * number of characters that will be written. Just as strncpy, the
158 * string will NOT be terminated it it is longer than maxlength_name.
161 gmx_directory_nextfile(gmx_directory_t gmxdir,char *name,int maxlength_name);
163 /* Release all data for a directory structure */
164 int
165 gmx_directory_close(gmx_directory_t gmxdir);
169 gmx_bool get_libdir(char *libdir);
171 char *low_gmxlibfn(const char *file,gmx_bool bAddCWD,gmx_bool bFatal);
173 FILE *low_libopen(const char *file,gmx_bool bFatal);
174 /* The same as the above, but does not terminate if (!bFatal) */
176 /* Create unique name for temp file (wrapper around mkstemp).
177 * Buf should be at least 7 bytes long
179 void gmx_tmpnam(char *buf);
181 /* truncte the file to the specified length */
182 int gmx_truncatefile(char *path, gmx_off_t length);
184 /* rename/move the file (atomically, if the OS makes that available) oldname
185 to newname */
186 int gmx_file_rename(const char *oldname, const char *newname);
188 /* copy the file (data only) oldname to newname. if copy_if_empty==FALSE,
189 the file won't be copied if it's empty.*/
190 int gmx_file_copy(const char *oldname, const char *newname, gmx_bool copy_if_empty);
192 /* do an fsync() on an open file pointer.
193 Only use this during checkpointing! */
194 int gmx_fsync(FILE *fp);
196 #ifdef GMX_NATIVE_WINDOWS
197 #define chdir _chdir
198 #define getcwd _getcwd
199 #endif
201 #ifdef __cplusplus
203 #endif
205 #endif /* _futil_h */