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37 #include "fflibutil.h"
43 #include "gromacs/legacyheaders/network.h"
44 #include "gromacs/utility/cstringutil.h"
45 #include "gromacs/utility/exceptions.h"
46 #include "gromacs/utility/fatalerror.h"
47 #include "gromacs/utility/futil.h"
48 #include "gromacs/utility/path.h"
49 #include "gromacs/utility/programcontext.h"
50 #include "gromacs/utility/smalloc.h"
52 const char *fflib_forcefield_dir_ext()
57 const char *fflib_forcefield_itp()
59 return "forcefield.itp";
62 const char *fflib_forcefield_doc()
64 return "forcefield.doc";
67 void fflib_filename_base(const char *filename, char *filebase, int maxlen)
72 cptr = strrchr(filename, DIR_SEPARATOR);
75 /* Skip the separator */
82 if (strlen(filename) >= (size_t)maxlen)
84 gmx_fatal(FARGS, "filename is longer (%d) than maxlen (%d)",
85 strlen(filename), maxlen);
87 strcpy(filebase, cptr);
88 /* Remove the extension */
89 ptr = strrchr(filebase, '.');
96 static void sort_filenames(int n, char **name, char **name2)
98 /* Slow sort, but we usually have tens of names */
102 for (i = 0; i < n-1; i++)
105 for (j = i+1; j < n; j++)
107 if (strcmp(name[j], name[f]) < 0)
127 static int low_fflib_search_file_end(const char *ffdir,
129 const char *file_end,
130 gmx_bool bFatalError,
132 char ***filenames_short)
134 char **fns = NULL, **fns_short = NULL;
138 std::vector<std::string> libPaths;
139 bool bEnvIsSet = false;
143 /* Search ffdir in current dir and library dirs */
144 libPaths.push_back(gmxlibfn(ffdir));
148 /* GMXLIB can be a path now */
151 libPaths.push_back(".");
153 const char *lib = getenv("GMXLIB");
157 gmx::Path::splitPathEnvironment(lib, &libPaths);
161 libPaths.push_back(gmx::getProgramContext().defaultLibraryDataPath());
165 const int len_fe = strlen(file_end);
167 std::vector<std::string>::const_iterator i;
168 for (i = libPaths.begin(); i != libPaths.end(); ++i)
170 const char *dir = i->c_str();
171 gmx_directory_t dirhandle;
172 const int rc = gmx_directory_open(&dirhandle, dir);
175 char nextname[STRLEN];
177 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
179 nextname[STRLEN-1] = 0;
182 fprintf(debug, "dir '%s' %d file '%s'\n",
183 dir, n_thisdir, nextname);
185 const int len_name = strlen(nextname);
186 /* What about case sensitivity? */
187 if (len_name >= len_fe &&
188 strcmp(nextname+len_name-len_fe, file_end) == 0)
190 char fn_dir[GMX_PATH_MAX];
191 /* We have a match */
193 sprintf(fn_dir, "%s%c%s", dir, DIR_SEPARATOR, nextname);
195 /* Copy the file name, possibly including the path. */
196 fns[n] = gmx_strdup(fn_dir);
200 /* We are searching in a path.
201 * Use the relative path when we use share/top
202 * from the installation.
203 * Add the full path when we use the current
204 * working directory of GMXLIB.
206 srenew(fns_short, n+1);
207 if (strcmp(dir, ".") == 0 || bEnvIsSet)
209 fns_short[n] = gmx_strdup(fn_dir);
213 fns_short[n] = gmx_strdup(nextname);
220 gmx_directory_close(dirhandle);
222 sort_filenames(n_thisdir,
224 fns_short == NULL ? NULL : fns_short+n-n_thisdir);
228 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
230 if (n == 0 && bFatalError)
234 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the force field directory '%s'", file_end, ffdir);
238 gmx_fatal(FARGS, "Could not find any files ending on '%s' in the current directory or the GROMACS library search path", file_end);
245 *filenames_short = fns_short;
251 int fflib_search_file_end(const char *ffdir,
252 const char *file_end,
253 gmx_bool bFatalError,
256 return low_fflib_search_file_end(ffdir, FALSE, file_end, bFatalError,
260 int fflib_search_file_in_dirend(const char *filename, const char *dirend,
267 gmx_directory_t dirhandle;
268 char nextname[STRLEN];
271 /* Find all files (not only dir's) ending on dirend */
272 nf = low_fflib_search_file_end(NULL, TRUE, dirend, FALSE, &f, &f_short);
276 for (i = 0; i < nf; i++)
278 rc = gmx_directory_open(&dirhandle, f[i]);
282 while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
284 nextname[STRLEN-1] = 0;
285 if (strcmp(nextname, filename) == 0)
287 /* We have a match */
289 dns[n] = gmx_strdup(f_short[i]);
293 gmx_directory_close(dirhandle);
306 gmx_bool fflib_fexist(const char *file)
310 file_fullpath = low_gmxlibfn(file, TRUE, FALSE);
312 if (file_fullpath == NULL)
318 sfree(file_fullpath);
325 FILE *fflib_open(const char *file)
330 file_fullpath = gmxlibfn(file);
331 fprintf(stderr, "Opening force field file %s\n", file_fullpath);
332 fp = gmx_ffopen(file_fullpath, "r");
333 sfree(file_fullpath);