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42 #include <sys/types.h>
47 #include "gromacs/fileio/futil.h"
49 #include "gmx_fatal.h"
56 #include "fflibutil.h"
58 const char *fflib_forcefield_dir_ext()
63 const char *fflib_forcefield_itp()
65 return "forcefield.itp";
68 const char *fflib_forcefield_doc()
70 return "forcefield.doc";
73 void fflib_filename_base(const char *filename, char *filebase, int maxlen)
78 cptr = strrchr(filename, DIR_SEPARATOR);
81 /* Skip the separator */
88 if (strlen(filename) >= (size_t)maxlen)
90 gmx_fatal(FARGS, "filename is longer (%d) than maxlen (%d)",
91 strlen(filename), maxlen);
93 strcpy(filebase, cptr);
94 /* Remove the extension */
95 ptr = strrchr(filebase, '.');
102 static void sort_filenames(int n, char **name, char **name2)
104 /* Slow sort, but we usually have tens of names */
108 for (i = 0; i < n-1; i++)
111 for (j = i+1; j < n; j++)
113 if (strcmp(name[j], name[f]) < 0)
133 static int low_fflib_search_file_end(const char *ffdir,
135 const char *file_end,
136 gmx_bool bFatalError,
138 char ***filenames_short)
143 int len_fe, len_name;
144 char **fns, **fns_short;
145 char dir_print[GMX_PATH_MAX];
146 char *s, fn_dir[GMX_PATH_MAX];
147 gmx_directory_t dirhandle;
148 char nextname[STRLEN];
149 int n, n_thisdir, rc;
151 len_fe = strlen(file_end);
156 /* Search in current dir and ffdir */
157 libpath = gmxlibfn(ffdir);
161 /* GMXLIB can be a path now */
162 lib = getenv("GMXLIB");
163 snew(libpath, GMX_PATH_MAX);
166 sprintf(libpath, "%s%s", ".", PATH_SEPARATOR);
171 strncat(libpath, lib, GMX_PATH_MAX);
175 get_libdir(libpath + strlen(libpath));
182 /* Loop over all the entries in libpath */
183 while ((dir = gmx_strsep(&s, PATH_SEPARATOR)) != NULL)
185 rc = gmx_directory_open(&dirhandle, dir);
188 strcpy(dir_print, dir);
191 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
193 nextname[STRLEN-1] = 0;
196 fprintf(debug, "dir '%s' %d file '%s'\n",
197 dir, n_thisdir, nextname);
199 len_name = strlen(nextname);
200 /* What about case sensitivity? */
201 if (len_name >= len_fe &&
202 strcmp(nextname+len_name-len_fe, file_end) == 0)
204 /* We have a match */
206 sprintf(fn_dir, "%s%c%s",
207 dir_print, DIR_SEPARATOR, nextname);
209 /* Copy the file name, possibly including the path. */
210 fns[n] = strdup(fn_dir);
214 /* We are searching in a path.
215 * Use the relative path when we use share/top
216 * from the installation.
217 * Add the full path when we use the current
218 * working directory of GMXLIB.
220 srenew(fns_short, n+1);
221 if (strcmp(dir, ".") == 0 || env_is_set)
223 fns_short[n] = strdup(fn_dir);
227 fns_short[n] = strdup(nextname);
234 gmx_directory_close(dirhandle);
236 sort_filenames(n_thisdir,
238 fns_short == NULL ? NULL : fns_short+n-n_thisdir);
244 if (n == 0 && bFatalError)
248 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the force field directory '%s'", file_end, ffdir);
252 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the current directory or the GROMACS library search path", file_end);
259 *filenames_short = fns_short;
265 int fflib_search_file_end(const char *ffdir,
266 const char *file_end,
267 gmx_bool bFatalError,
270 return low_fflib_search_file_end(ffdir, FALSE, file_end, bFatalError,
274 int fflib_search_file_in_dirend(const char *filename, const char *dirend,
281 gmx_directory_t dirhandle;
282 char nextname[STRLEN];
285 /* Find all files (not only dir's) ending on dirend */
286 nf = low_fflib_search_file_end(NULL, TRUE, dirend, FALSE, &f, &f_short);
290 for (i = 0; i < nf; i++)
292 rc = gmx_directory_open(&dirhandle, f[i]);
296 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
298 nextname[STRLEN-1] = 0;
299 if (strcmp(nextname, filename) == 0)
301 /* We have a match */
303 dns[n] = strdup(f_short[i]);
307 gmx_directory_close(dirhandle);
320 gmx_bool fflib_fexist(const char *file)
324 file_fullpath = low_gmxlibfn(file, TRUE, FALSE);
326 if (file_fullpath == NULL)
332 sfree(file_fullpath);
339 FILE *fflib_open(const char *file)
344 file_fullpath = gmxlibfn(file);
345 fprintf(stderr, "Opening force field file %s\n", file_fullpath);
346 fp = ffopen(file_fullpath, "r");
347 sfree(file_fullpath);