* 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 <ctype.h>
#include <string.h>
-#include "typedefs.h"
-#include "gromacs/utility/cstringutil.h"
-#include "gromacs/utility/smalloc.h"
-#include "symtab.h"
-#include "index.h"
-#include "gromacs/fileio/futil.h"
+
+#include "gromacs/legacyheaders/typedefs.h"
#include "fflibutil.h"
#include "hackblock.h"
-#include "gmx_fatal.h"
#include "xlate.h"
#include "gromacs/fileio/strdb.h"
+#include "gromacs/topology/residuetypes.h"
+#include "gromacs/topology/symtab.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
typedef struct {
char *filebase;
}
srenew(xl, n+1);
- xl[n].filebase = strdup(filebase);
+ xl[n].filebase = gmx_strdup(filebase);
/* Use wildcards... */
if (strcmp(rbuf, "*") != 0)
{
- xl[n].res = strdup(rbuf);
+ xl[n].res = gmx_strdup(rbuf);
}
else
{
*_ptr = ' ';
}
- xl[n].atom = strdup(abuf);
- xl[n].replace = strdup(repbuf);
+ xl[n].atom = gmx_strdup(abuf);
+ xl[n].replace = gmx_strdup(repbuf);
n++;
}
void rename_atoms(const char *xlfile, const char *ffdir,
t_atoms *atoms, t_symtab *symtab, const t_restp *restp,
- gmx_bool bResname, gmx_residuetype_t rt, gmx_bool bReorderNum,
+ gmx_bool bResname, gmx_residuetype_t *rt, gmx_bool bReorderNum,
gmx_bool bVerbose)
{
FILE *fp;
/* Don't free the old atomname,
* since it might be in the symtab.
*/
- ptr0 = strdup(xlatom[i].replace);
+ ptr0 = gmx_strdup(xlatom[i].replace);
if (bVerbose)
{
printf("Renaming atom '%s' in residue %d %s to '%s'\n",