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37 #include "fflibutil.h"
45 #include <sys/types.h>
53 #include "gromacs/legacyheaders/network.h"
54 #include "gromacs/utility/cstringutil.h"
55 #include "gromacs/utility/exceptions.h"
56 #include "gromacs/utility/fatalerror.h"
57 #include "gromacs/utility/futil.h"
58 #include "gromacs/utility/path.h"
59 #include "gromacs/utility/programcontext.h"
60 #include "gromacs/utility/smalloc.h"
62 const char *fflib_forcefield_dir_ext()
67 const char *fflib_forcefield_itp()
69 return "forcefield.itp";
72 const char *fflib_forcefield_doc()
74 return "forcefield.doc";
77 void fflib_filename_base(const char *filename, char *filebase, int maxlen)
82 cptr = strrchr(filename, DIR_SEPARATOR);
85 /* Skip the separator */
92 if (strlen(filename) >= (size_t)maxlen)
94 gmx_fatal(FARGS, "filename is longer (%d) than maxlen (%d)",
95 strlen(filename), maxlen);
97 strcpy(filebase, cptr);
98 /* Remove the extension */
99 ptr = strrchr(filebase, '.');
106 static void sort_filenames(int n, char **name, char **name2)
108 /* Slow sort, but we usually have tens of names */
112 for (i = 0; i < n-1; i++)
115 for (j = i+1; j < n; j++)
117 if (strcmp(name[j], name[f]) < 0)
137 static int low_fflib_search_file_end(const char *ffdir,
139 const char *file_end,
140 gmx_bool bFatalError,
142 char ***filenames_short)
144 char **fns = NULL, **fns_short = NULL;
148 std::vector<std::string> libPaths;
149 bool bEnvIsSet = false;
153 /* Search ffdir in current dir and library dirs */
154 libPaths.push_back(gmxlibfn(ffdir));
158 /* GMXLIB can be a path now */
161 libPaths.push_back(".");
163 const char *lib = getenv("GMXLIB");
167 gmx::Path::splitPathEnvironment(lib, &libPaths);
171 libPaths.push_back(gmx::getProgramContext().defaultLibraryDataPath());
175 const int len_fe = strlen(file_end);
177 std::vector<std::string>::const_iterator i;
178 for (i = libPaths.begin(); i != libPaths.end(); ++i)
180 const char *dir = i->c_str();
181 gmx_directory_t dirhandle;
182 const int rc = gmx_directory_open(&dirhandle, dir);
185 char nextname[STRLEN];
187 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
189 nextname[STRLEN-1] = 0;
192 fprintf(debug, "dir '%s' %d file '%s'\n",
193 dir, n_thisdir, nextname);
195 const int len_name = strlen(nextname);
196 /* What about case sensitivity? */
197 if (len_name >= len_fe &&
198 strcmp(nextname+len_name-len_fe, file_end) == 0)
200 char fn_dir[GMX_PATH_MAX];
201 /* We have a match */
203 sprintf(fn_dir, "%s%c%s", dir, DIR_SEPARATOR, nextname);
205 /* Copy the file name, possibly including the path. */
206 fns[n] = gmx_strdup(fn_dir);
210 /* We are searching in a path.
211 * Use the relative path when we use share/top
212 * from the installation.
213 * Add the full path when we use the current
214 * working directory of GMXLIB.
216 srenew(fns_short, n+1);
217 if (strcmp(dir, ".") == 0 || bEnvIsSet)
219 fns_short[n] = gmx_strdup(fn_dir);
223 fns_short[n] = gmx_strdup(nextname);
230 gmx_directory_close(dirhandle);
232 sort_filenames(n_thisdir,
234 fns_short == NULL ? NULL : fns_short+n-n_thisdir);
238 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
240 if (n == 0 && bFatalError)
244 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the force field directory '%s'", file_end, ffdir);
248 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the current directory or the GROMACS library search path", file_end);
255 *filenames_short = fns_short;
261 int fflib_search_file_end(const char *ffdir,
262 const char *file_end,
263 gmx_bool bFatalError,
266 return low_fflib_search_file_end(ffdir, FALSE, file_end, bFatalError,
270 int fflib_search_file_in_dirend(const char *filename, const char *dirend,
277 gmx_directory_t dirhandle;
278 char nextname[STRLEN];
281 /* Find all files (not only dir's) ending on dirend */
282 nf = low_fflib_search_file_end(NULL, TRUE, dirend, FALSE, &f, &f_short);
286 for (i = 0; i < nf; i++)
288 rc = gmx_directory_open(&dirhandle, f[i]);
292 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
294 nextname[STRLEN-1] = 0;
295 if (strcmp(nextname, filename) == 0)
297 /* We have a match */
299 dns[n] = gmx_strdup(f_short[i]);
303 gmx_directory_close(dirhandle);
316 gmx_bool fflib_fexist(const char *file)
320 file_fullpath = low_gmxlibfn(file, TRUE, FALSE);
322 if (file_fullpath == NULL)
328 sfree(file_fullpath);
335 FILE *fflib_open(const char *file)
340 file_fullpath = gmxlibfn(file);
341 fprintf(stderr, "Opening force field file %s\n", file_fullpath);
342 fp = gmx_ffopen(file_fullpath, "r");
343 sfree(file_fullpath);