*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 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.
* the research papers on the package. Check out http://www.gromacs.org.
*/
/* This file is completely threadsafe - keep it that way! */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+#include <stdlib.h>
#include <string.h>
-#include "string2.h"
-#include "sysstuff.h"
-#include "smalloc.h"
-#include "gromacs/fileio/futil.h"
-#include "symtab.h"
+
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/utility/futil.h"
#include "h_db.h"
#include "gromacs/fileio/gmxfio.h"
#include "fflibutil.h"
-#include "gmx_fatal.h"
-#include "macros.h"
-
-/* There are 11 types of adding hydrogens, numbered from
- * 1 thru 11. Each of these has a specific number of
- * control atoms, that determine how the hydrogens are added.
- * Here these number are given. Because arrays start at 0 an
- * extra dummy for index 0 is added
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/legacyheaders/macros.h"
+
+/* Number of control atoms for each 'add' type.
+ *
+ * There are 11 types of adding hydrogens, numbered from 1 thru
+ * 11. Each of these has a specific number of control atoms, that
+ * determine how the hydrogens are added. Here these number are
+ * given. Because arrays start at 0, an extra dummy for index 0 is
+ * added.
*/
const int ncontrol[] = { -1, 3, 3, 3, 3, 4, 3, 1, 3, 3, 1, 1 };
#define maxcontrol asize(ncontrol)
}
for (i = 0; (i < hack->nctl); i++)
{
- hack->a[i] = strdup(a[i]);
+ hack->a[i] = gmx_strdup(a[i]);
}
for (; i < 4; i++)
{
hack->a[i] = NULL;
}
hack->oname = NULL;
- hack->nname = strdup(hn);
+ hack->nname = gmx_strdup(hn);
hack->atom = NULL;
hack->cgnr = NOTSET;
hack->bXSet = FALSE;
}
srenew(aah, nah+1);
clear_t_hackblock(&aah[nah]);
- aah[nah].name = strdup(buf);
- aah[nah].filebase = strdup(filebase);
+ aah[nah].name = gmx_strdup(buf);
+ aah[nah].filebase = gmx_strdup(filebase);
if (sscanf(line+n, "%d", &nab) == 1)
{
}
nah++;
}
- ffclose(in);
+ gmx_ffclose(in);
/* Sort the list (necessary to be able to use bsearch */
qsort(aah, nah, (size_t)sizeof(**ah), compaddh);