/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2010,2012,2013,2014,2015, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
*/
#include "gmxpre.h"
-#include "config.h"
+#include "fflibutil.h"
-#include <stdio.h>
-#include <stdlib.h>
#include <string.h>
-#include <fcntl.h>
-#include <sys/types.h>
-#include <sys/stat.h>
-#ifdef HAVE_UNISTD_H
-#include <unistd.h>
-#endif
-
-#include "gromacs/legacyheaders/network.h"
-#include "fflibutil.h"
+#include <string>
+#include <vector>
#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/datafilefinder.h"
+#include "gromacs/utility/dir_separator.h"
+#include "gromacs/utility/directoryenumerator.h"
+#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/futil.h"
-#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/path.h"
-#include "gromacs/utility/programcontext.h"
#include "gromacs/utility/smalloc.h"
+#include "gromacs/utility/stringutil.h"
const char *fflib_forcefield_dir_ext()
{
}
}
-static void sort_filenames(int n, char **name, char **name2)
-{
- /* Slow sort, but we usually have tens of names */
- int i, j, f;
- char *tmp;
-
- for (i = 0; i < n-1; i++)
- {
- f = i;
- for (j = i+1; j < n; j++)
- {
- if (strcmp(name[j], name[f]) < 0)
- {
- f = j;
- }
- }
- if (f > i)
- {
- tmp = name[i];
- name[i] = name[f];
- name[f] = tmp;
- if (name2 != NULL)
- {
- tmp = name2[i];
- name2[i] = name2[f];
- name2[f] = tmp;
- }
- }
- }
-}
-
-static int low_fflib_search_file_end(const char *ffdir,
- gmx_bool bAddCWD,
- const char *file_end,
- gmx_bool bFatalError,
- char ***filenames,
- char ***filenames_short)
+int fflib_search_file_end(const char *ffdir,
+ const char *file_end,
+ gmx_bool bFatalError,
+ char ***filenames)
{
- char **fns = NULL, **fns_short = NULL;
- int n = 0;
try
{
- std::vector<std::string> libPaths;
- bool bEnvIsSet = false;
-
- if (ffdir != NULL)
+ std::string ffdirFull(gmx::getLibraryFileFinder().findFile(ffdir));
+ std::vector<std::string> result
+ = gmx::DirectoryEnumerator::enumerateFilesWithExtension(
+ ffdirFull.c_str(), file_end, true);
+ if (result.empty() && bFatalError)
{
- /* Search ffdir in current dir and library dirs */
- libPaths.push_back(gmxlibfn(ffdir));
+ std::string message
+ = gmx::formatString("Could not find any files ending on '%s' "
+ "in the force field directory '%s'",
+ file_end, ffdir);
+ GMX_THROW(gmx::InvalidInputError(message));
}
- else
+ const int count = static_cast<int>(result.size());
+ for (int i = 0; i < count; ++i)
{
- /* GMXLIB can be a path now */
- if (bAddCWD)
- {
- libPaths.push_back(".");
- }
- const char *lib = getenv("GMXLIB");
- if (lib != NULL)
- {
- bEnvIsSet = true;
- gmx::Path::splitPathEnvironment(lib, &libPaths);
- }
- else
- {
- libPaths.push_back(gmx::getProgramContext().defaultLibraryDataPath());
- }
+ result[i] = gmx::Path::join(ffdir, result[i]);
}
-
- const int len_fe = strlen(file_end);
-
- std::vector<std::string>::const_iterator i;
- for (i = libPaths.begin(); i != libPaths.end(); ++i)
+ char **fns;
+ snew(fns, count);
+ for (int i = 0; i < count; ++i)
{
- const char *dir = i->c_str();
- gmx_directory_t dirhandle;
- const int rc = gmx_directory_open(&dirhandle, dir);
- if (rc == 0)
- {
- char nextname[STRLEN];
- int n_thisdir = 0;
- while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
- {
- nextname[STRLEN-1] = 0;
- if (debug)
- {
- fprintf(debug, "dir '%s' %d file '%s'\n",
- dir, n_thisdir, nextname);
- }
- const int len_name = strlen(nextname);
- /* What about case sensitivity? */
- if (len_name >= len_fe &&
- strcmp(nextname+len_name-len_fe, file_end) == 0)
- {
- char fn_dir[GMX_PATH_MAX];
- /* We have a match */
- srenew(fns, n+1);
- sprintf(fn_dir, "%s%c%s", dir, DIR_SEPARATOR, nextname);
-
- /* Copy the file name, possibly including the path. */
- fns[n] = gmx_strdup(fn_dir);
-
- if (ffdir == NULL)
- {
- /* We are searching in a path.
- * Use the relative path when we use share/top
- * from the installation.
- * Add the full path when we use the current
- * working directory of GMXLIB.
- */
- srenew(fns_short, n+1);
- if (strcmp(dir, ".") == 0 || bEnvIsSet)
- {
- fns_short[n] = gmx_strdup(fn_dir);
- }
- else
- {
- fns_short[n] = gmx_strdup(nextname);
- }
- }
- n++;
- n_thisdir++;
- }
- }
- gmx_directory_close(dirhandle);
-
- sort_filenames(n_thisdir,
- fns+n-n_thisdir,
- fns_short == NULL ? NULL : fns_short+n-n_thisdir);
- }
+ fns[i] = gmx_strdup(result[i].c_str());
}
+ *filenames = fns;
+ return count;
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
-
- if (n == 0 && bFatalError)
- {
- if (ffdir != NULL)
- {
- gmx_fatal(FARGS, "Could not find any files ending on '%s' in the force field directory '%s'", file_end, ffdir);
- }
- else
- {
- gmx_fatal(FARGS, "Could not find any files ending on '%s' in the current directory or the GROMACS library search path", file_end);
- }
- }
-
- *filenames = fns;
- if (ffdir == NULL)
- {
- *filenames_short = fns_short;
- }
-
- return n;
}
-int fflib_search_file_end(const char *ffdir,
- const char *file_end,
- gmx_bool bFatalError,
- char ***filenames)
-{
- return low_fflib_search_file_end(ffdir, FALSE, file_end, bFatalError,
- filenames, NULL);
-}
-
-int fflib_search_file_in_dirend(const char *filename, const char *dirend,
- char ***dirnames)
+std::vector<gmx::DataFileInfo> fflib_enumerate_forcefields()
{
- int nf, i;
- char **f, **f_short;
- int n;
- char **dns;
- gmx_directory_t dirhandle;
- char nextname[STRLEN];
- int rc;
-
- /* Find all files (not only dir's) ending on dirend */
- nf = low_fflib_search_file_end(NULL, TRUE, dirend, FALSE, &f, &f_short);
-
- n = 0;
- dns = NULL;
- for (i = 0; i < nf; i++)
+ const char *const dirend = fflib_forcefield_dir_ext();
+ const char *const filename = fflib_forcefield_itp();
+ std::vector<gmx::DataFileInfo> candidates
+ = gmx::getLibraryFileFinder().enumerateFiles(
+ gmx::DataFileOptions(dirend)
+ .throwIfNotFound(false));
+
+ std::vector<gmx::DataFileInfo> result;
+ for (size_t i = 0; i < candidates.size(); ++i)
{
- rc = gmx_directory_open(&dirhandle, f[i]);
-
- if (rc == 0)
+ std::string testPath(gmx::Path::join(
+ candidates[i].dir, candidates[i].name, filename));
+ // TODO: Consider also checking that the directory can be listed.
+ if (gmx::File::exists(testPath))
{
- while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
- {
- nextname[STRLEN-1] = 0;
- if (strcmp(nextname, filename) == 0)
- {
- /* We have a match */
- srenew(dns, n+1);
- dns[n] = gmx_strdup(f_short[i]);
- n++;
- }
- }
- gmx_directory_close(dirhandle);
+ result.push_back(candidates[i]);
}
- sfree(f[i]);
- sfree(f_short[i]);
}
- sfree(f);
- sfree(f_short);
- *dirnames = dns;
+ // TODO: Consider merging this into enumerateFiles(), such that the error
+ // could also list the directories searched.
+ if (result.empty())
+ {
+ std::string message
+ = gmx::formatString("No force fields found (files with name '%s' "
+ "in subdirectories ending on '%s')",
+ filename, dirend);
+ GMX_THROW(gmx::InvalidInputError(message));
+ }
- return n;
+ return result;
}
gmx_bool fflib_fexist(const char *file)
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff