*/
/* This file is completely threadsafe - keep it that way! */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-#include "gromacs/utility/cstringutil.h"
+#include "gmxpre.h"
+
#include "pgutil.h"
+
#include <string.h>
-#include "gmx_fatal.h"
+
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
#define BUFSIZE 1024
static void atom_not_found(int fatal_errno, const char *file, int line,
return NO_ATID;
}
+atom_id
+search_res_atom(const char *type, int resind,
+ t_atoms *atoms,
+ const char *bondtype, gmx_bool bAllowMissing)
+{
+ int i;
+
+ for (i = 0; (i < atoms->nr); i++)
+ {
+ if (atoms->atom[i].resind == resind)
+ {
+ return search_atom(type, i, atoms, bondtype, bAllowMissing);
+ }
+ }
+
+ return NO_ATID;
+}
+
+
void set_at(t_atom *at, real m, real q, int type, int resind)
{
at->m = m;