Remove unnecessary config.h includes

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / toputil.c

diff --git a/src/gromacs/gmxpreprocess/toputil.c b/src/gromacs/gmxpreprocess/toputil.c
index ae316dc2e53fda2a4e2e15d252110f8672ddd613..a407b711df95ab1376f662570ddb3a267f630a26 100644 (file)
--- a/src/gromacs/gmxpreprocess/toputil.c
+++ b/src/gromacs/gmxpreprocess/toputil.c
@@ -1,54 +1,55 @@
 /*
+ * This file is part of the GROMACS molecular simulation package.
  *
- *                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
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * Copyright (c) 2012,2014, 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.
+ *
+ * GROMACS is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public License
+ * as published by the Free Software Foundation; either version 2.1
  * of the License, or (at your option) any later version.
  *
- * If you want to redistribute modifications, please consider that
- * scientific software is very special. Version 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 in the README & COPYING
- * files - if they are missing, get the official version at www.gromacs.org.
+ * GROMACS is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
+ * Lesser General Public License for more details.
  *
- * To help us fund GROMACS development, we humbly ask that you cite
- * the papers on the package - you can find them in the top README file.
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with GROMACS; if not, see
+ * http://www.gnu.org/licenses, or write to the Free Software Foundation,
+ * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  *
- * For more info, check our website at http://www.gromacs.org
+ * If you want to redistribute modifications to GROMACS, please
+ * consider that scientific software is very special. Version
+ * 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
+ * in the README & COPYING files - if they are missing, get the
+ * official version at http://www.gromacs.org.
  *
- * And Hey:
- * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
+ * To help us fund GROMACS development, we humbly ask that you cite
+ * the research papers on the package. Check out http://www.gromacs.org.
  */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
 
+#include <assert.h>
 #include <math.h>
-#include "smalloc.h"
-#include "sysstuff.h"
-#include "macros.h"
-#include "string2.h"
-#include "topdirs.h"
-#include "toputil.h"
+#include <string.h>
+
+#include "gromacs/legacyheaders/macros.h"
 #include "topdirs.h"
 #include "toputil.h"
-#include "symtab.h"
-#include "gmx_fatal.h"
 #include "gpp_atomtype.h"
 
+#include "gromacs/topology/block.h"
+#include "gromacs/topology/symtab.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
+
 /* UTILITIES */
 
 void set_p_string(t_param *p, const char *s)
@@ -61,7 +62,7 @@ void set_p_string(t_param *p, const char *s)
         }
         else
         {
-            gmx_fatal(FARGS, "Increase MAXSLEN in include/grompp.h to at least %d,"
+            gmx_fatal(FARGS, "Increase MAXSLEN in include/grompp-impl.h to at least %d,"
                       " or shorten your definition of bonds like %s to at most %d",
                       strlen(s)+1, s, MAXSLEN-1);
         }
@@ -85,12 +86,7 @@ void pr_alloc (int extra, t_params *pr)
     {
         return;
     }
-    if ((pr->nr == 0) && (pr->param != NULL))
-    {
-        fprintf(stderr, "Warning: dangling pointer at %lx\n",
-                (unsigned long)pr->param);
-        pr->param = NULL;
-    }
+    assert(!((pr->nr == 0) && (pr->param != NULL)));
     if (pr->nr+extra > pr->maxnr)
     {
         pr->maxnr = max(1.2*pr->maxnr, pr->maxnr + extra);