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42 #include <sys/types.h>
49 #include "gromacs/utility/cstringutil.h"
50 #include "gromacs/utility/fatalerror.h"
51 #include "gromacs/utility/smalloc.h"
57 #include "fflibutil.h"
59 #include "gromacs/fileio/futil.h"
60 #include "gromacs/fileio/path.h"
61 #include "gromacs/utility/exceptions.h"
62 #include "gromacs/utility/programcontext.h"
64 const char *fflib_forcefield_dir_ext()
69 const char *fflib_forcefield_itp()
71 return "forcefield.itp";
74 const char *fflib_forcefield_doc()
76 return "forcefield.doc";
79 void fflib_filename_base(const char *filename, char *filebase, int maxlen)
84 cptr = strrchr(filename, DIR_SEPARATOR);
87 /* Skip the separator */
94 if (strlen(filename) >= (size_t)maxlen)
96 gmx_fatal(FARGS, "filename is longer (%d) than maxlen (%d)",
97 strlen(filename), maxlen);
99 strcpy(filebase, cptr);
100 /* Remove the extension */
101 ptr = strrchr(filebase, '.');
108 static void sort_filenames(int n, char **name, char **name2)
110 /* Slow sort, but we usually have tens of names */
114 for (i = 0; i < n-1; i++)
117 for (j = i+1; j < n; j++)
119 if (strcmp(name[j], name[f]) < 0)
139 static int low_fflib_search_file_end(const char *ffdir,
141 const char *file_end,
142 gmx_bool bFatalError,
144 char ***filenames_short)
146 char **fns = NULL, **fns_short = NULL;
150 std::vector<std::string> libPaths;
151 bool bEnvIsSet = false;
155 /* Search ffdir in current dir and library dirs */
156 libPaths.push_back(gmxlibfn(ffdir));
160 /* GMXLIB can be a path now */
163 libPaths.push_back(".");
165 const char *lib = getenv("GMXLIB");
169 gmx::Path::splitPathEnvironment(lib, &libPaths);
173 libPaths.push_back(gmx::getProgramContext().defaultLibraryDataPath());
177 const int len_fe = strlen(file_end);
179 std::vector<std::string>::const_iterator i;
180 for (i = libPaths.begin(); i != libPaths.end(); ++i)
182 const char *dir = i->c_str();
183 gmx_directory_t dirhandle;
184 const int rc = gmx_directory_open(&dirhandle, dir);
187 char nextname[STRLEN];
189 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
191 nextname[STRLEN-1] = 0;
194 fprintf(debug, "dir '%s' %d file '%s'\n",
195 dir, n_thisdir, nextname);
197 const int len_name = strlen(nextname);
198 /* What about case sensitivity? */
199 if (len_name >= len_fe &&
200 strcmp(nextname+len_name-len_fe, file_end) == 0)
202 char fn_dir[GMX_PATH_MAX];
203 /* We have a match */
205 sprintf(fn_dir, "%s%c%s", dir, DIR_SEPARATOR, nextname);
207 /* Copy the file name, possibly including the path. */
208 fns[n] = strdup(fn_dir);
212 /* We are searching in a path.
213 * Use the relative path when we use share/top
214 * from the installation.
215 * Add the full path when we use the current
216 * working directory of GMXLIB.
218 srenew(fns_short, n+1);
219 if (strcmp(dir, ".") == 0 || bEnvIsSet)
221 fns_short[n] = strdup(fn_dir);
225 fns_short[n] = strdup(nextname);
232 gmx_directory_close(dirhandle);
234 sort_filenames(n_thisdir,
236 fns_short == NULL ? NULL : fns_short+n-n_thisdir);
240 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
242 if (n == 0 && bFatalError)
246 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the force field directory '%s'", file_end, ffdir);
250 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the current directory or the GROMACS library search path", file_end);
257 *filenames_short = fns_short;
263 int fflib_search_file_end(const char *ffdir,
264 const char *file_end,
265 gmx_bool bFatalError,
268 return low_fflib_search_file_end(ffdir, FALSE, file_end, bFatalError,
272 int fflib_search_file_in_dirend(const char *filename, const char *dirend,
279 gmx_directory_t dirhandle;
280 char nextname[STRLEN];
283 /* Find all files (not only dir's) ending on dirend */
284 nf = low_fflib_search_file_end(NULL, TRUE, dirend, FALSE, &f, &f_short);
288 for (i = 0; i < nf; i++)
290 rc = gmx_directory_open(&dirhandle, f[i]);
294 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
296 nextname[STRLEN-1] = 0;
297 if (strcmp(nextname, filename) == 0)
299 /* We have a match */
301 dns[n] = strdup(f_short[i]);
305 gmx_directory_close(dirhandle);
318 gmx_bool fflib_fexist(const char *file)
322 file_fullpath = low_gmxlibfn(file, TRUE, FALSE);
324 if (file_fullpath == NULL)
330 sfree(file_fullpath);
337 FILE *fflib_open(const char *file)
342 file_fullpath = gmxlibfn(file);
343 fprintf(stderr, "Opening force field file %s\n", file_fullpath);
344 fp = gmx_ffopen(file_fullpath, "r");
345 sfree(file_fullpath);