-/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
+/*
+ * This file is part of the GROMACS molecular simulation package.
*
+ * Copyright (c) 2010,2012,2013,2014, 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.
*
- * This source code is part of
- *
- * G R O M A C S
- *
- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
- * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2004, The GROMACS development team,
- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
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* of the License, or (at your option) any later version.
*
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+ * control is crucial - bugs must be traceable. We will be happy to
+ * consider code for inclusion in the official distribution, but
+ * derived work must not be called official GROMACS. Details are found
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*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "fflibutil.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
-#include <sys/types.h>
-#include <sys/stat.h>
+
#include <fcntl.h>
-#include "sysstuff.h"
-#include "string2.h"
-#include "gromacs/fileio/futil.h"
-#include "network.h"
-#include "gmx_fatal.h"
-#include "smalloc.h"
-#include "statutil.h"
+#include <sys/stat.h>
+#include <sys/types.h>
+
+#include "config.h"
#ifdef HAVE_UNISTD_H
#include <unistd.h>
#endif
-#ifdef GMX_THREAD_MPI
-#include "thread_mpi.h"
-#endif
-
-#include "fflibutil.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/exceptions.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/path.h"
+#include "gromacs/utility/programcontext.h"
+#include "gromacs/utility/smalloc.h"
const char *fflib_forcefield_dir_ext()
{
char ***filenames,
char ***filenames_short)
{
- char *lib, *dir;
- char *libpath;
- gmx_bool env_is_set;
- int len_fe, len_name;
- char **fns, **fns_short;
- char dir_print[GMX_PATH_MAX];
- char *s, fn_dir[GMX_PATH_MAX];
- gmx_directory_t dirhandle;
- char nextname[STRLEN];
- int n, n_thisdir, rc;
-
- len_fe = strlen(file_end);
-
- env_is_set = FALSE;
- if (ffdir != NULL)
+ char **fns = NULL, **fns_short = NULL;
+ int n = 0;
+ try
{
- /* Search in current dir and ffdir */
- libpath = gmxlibfn(ffdir);
- }
- else
- {
- /* GMXLIB can be a path now */
- lib = getenv("GMXLIB");
- snew(libpath, GMX_PATH_MAX);
- if (bAddCWD)
- {
- sprintf(libpath, "%s%s", ".", PATH_SEPARATOR);
- }
- if (lib != NULL)
+ std::vector<std::string> libPaths;
+ bool bEnvIsSet = false;
+
+ if (ffdir != NULL)
{
- env_is_set = TRUE;
- strncat(libpath, lib, GMX_PATH_MAX);
+ /* Search ffdir in current dir and library dirs */
+ libPaths.push_back(gmxlibfn(ffdir));
}
else
{
- get_libdir(libpath + strlen(libpath));
+ /* 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());
+ }
}
- }
- s = libpath;
- n = 0;
- fns = NULL;
- fns_short = NULL;
- /* Loop over all the entries in libpath */
- while ((dir = gmx_strsep(&s, PATH_SEPARATOR)) != NULL)
- {
- rc = gmx_directory_open(&dirhandle, dir);
- if (rc == 0)
- {
- strcpy(dir_print, dir);
- n_thisdir = 0;
- while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
+ const int len_fe = strlen(file_end);
+
+ std::vector<std::string>::const_iterator i;
+ for (i = libPaths.begin(); i != libPaths.end(); ++i)
+ {
+ const char *dir = i->c_str();
+ gmx_directory_t dirhandle;
+ const int rc = gmx_directory_open(&dirhandle, dir);
+ if (rc == 0)
{
- nextname[STRLEN-1] = 0;
- if (debug)
+ char nextname[STRLEN];
+ int n_thisdir = 0;
+ while (gmx_directory_nextfile(dirhandle, nextname, STRLEN-1) == 0)
{
- fprintf(debug, "dir '%s' %d file '%s'\n",
- dir, n_thisdir, nextname);
- }
- len_name = strlen(nextname);
- /* What about case sensitivity? */
- if (len_name >= len_fe &&
- strcmp(nextname+len_name-len_fe, file_end) == 0)
- {
- /* We have a match */
- srenew(fns, n+1);
- sprintf(fn_dir, "%s%c%s",
- dir_print, DIR_SEPARATOR, nextname);
+ 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] = strdup(fn_dir);
+ /* 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 || env_is_set)
+ if (ffdir == NULL)
{
- fns_short[n] = strdup(fn_dir);
- }
- else
- {
- fns_short[n] = strdup(nextname);
+ /* 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++;
}
- n++;
- n_thisdir++;
}
- }
- gmx_directory_close(dirhandle);
+ gmx_directory_close(dirhandle);
- sort_filenames(n_thisdir,
- fns+n-n_thisdir,
- fns_short == NULL ? NULL : fns_short+n-n_thisdir);
+ sort_filenames(n_thisdir,
+ fns+n-n_thisdir,
+ fns_short == NULL ? NULL : fns_short+n-n_thisdir);
+ }
}
}
-
- sfree(libpath);
+ GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
if (n == 0 && bFatalError)
{
{
/* We have a match */
srenew(dns, n+1);
- dns[n] = strdup(f_short[i]);
+ dns[n] = gmx_strdup(f_short[i]);
n++;
}
}
file_fullpath = gmxlibfn(file);
fprintf(stderr, "Opening force field file %s\n", file_fullpath);
- fp = ffopen(file_fullpath, "r");
+ fp = gmx_ffopen(file_fullpath, "r");
sfree(file_fullpath);
return fp;
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff