* \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_selection
*/
-#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/legacyheaders/smalloc.h"
-#include "gromacs/legacyheaders/string2.h"
+#include "gmxpre.h"
+#include "gromacs/legacyheaders/macros.h"
#include "gromacs/selection/indexutil.h"
-#include "gromacs/selection/poscalc.h"
#include "gromacs/selection/position.h"
-#include "gromacs/selection/selmethod.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/smalloc.h"
#include "keywords.h"
+#include "poscalc.h"
#include "selelem.h"
+#include "selmethod.h"
/*! \internal \brief
* Data structure for position keyword evaluation.
/** Selection method data for position keyword evaluation. */
gmx_ana_selmethod_t sm_keyword_pos = {
- "kw_pos", POS_VALUE, SMETH_DYNAMIC | SMETH_VARNUMVAL,
+ "kw_pos", POS_VALUE, SMETH_DYNAMIC | SMETH_VARNUMVAL | SMETH_ALLOW_UNSORTED,
asize(smparams_keyword_pos), smparams_keyword_pos,
&init_data_pos,
&set_poscoll_pos,
}
if (!d->type && type)
{
- d->type = strdup(type);
+ d->type = gmx_strdup(type);
/* FIXME: It would be better not to have the string here hardcoded. */
if (type[0] != 'a')
{