/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2009,2010,2011,2012,2013, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2009,2010,2011,2012,2013,2014, 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.
*
* GROMACS is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_selection
*/
-#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/legacyheaders/smalloc.h"
-#include "gromacs/legacyheaders/vec.h"
+#include "gmxpre.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/math/vec.h"
#include "gromacs/selection/position.h"
-#include "gromacs/selection/selmethod.h"
+#include "gromacs/utility/common.h"
#include "gromacs/utility/exceptions.h"
+#include "gromacs/utility/smalloc.h"
+
+#include "selmethod.h"
/*! \internal \brief
* Data structure for the merging selection modifiers.
/** Allocates data for the merging selection modifiers. */
static void *
init_data_merge(int npar, gmx_ana_selparam_t *param);
-/** Initializes data for the merging selection modifiers. */
+/*! \brief
+ * Initializes data for the merging selection modifiers.
+ *
+ * \param[in] top Not used.
+ * \param[in] npar Not used (should be 2 or 3).
+ * \param[in] param Method parameters (should point to \ref smparams_merge).
+ * \param[in] data Should point to a \p t_methoddata_merge.
+ * \returns 0 if everything is successful, -1 on error.
+ */
static void
init_merge(t_topology *top, int npar, gmx_ana_selparam_t *param, void *data);
/** Initializes output for the \p merge selection modifier. */
/** Frees the memory allocated for the merging selection modifiers. */
static void
free_data_merge(void *data);
-/** Evaluates the \p merge selection modifier. */
+/*! \brief
+ * Evaluates the \p merge selection modifier.
+ *
+ * \param[in] top Not used.
+ * \param[in] fr Not used.
+ * \param[in] pbc Not used.
+ * \param[in] p Positions to merge (should point to \p data->p1).
+ * \param[out] out Output data structure (\p out->u.p is used).
+ * \param[in] data Should point to a \p t_methoddata_merge.
+ */
static void
evaluate_merge(t_topology *top, t_trxframe *fr, t_pbc *pbc,
- gmx_ana_pos_t *p, gmx_ana_selvalue_t *out, void *data);
-/** Evaluates the \p plus selection modifier. */
+ gmx_ana_pos_t * p, gmx_ana_selvalue_t *out, void *data);
+/*! \brief
+ * Evaluates the \p plus selection modifier.
+ *
+ * \param[in] top Not used.
+ * \param[in] fr Not used.
+ * \param[in] pbc Not used.
+ * \param[in] p Positions to merge (should point to \p data->p1).
+ * \param[out] out Output data structure (\p out->u.p is used).
+ * \param[in] data Should point to a \p t_methoddata_merge.
+ */
static void
evaluate_plus(t_topology *top, t_trxframe *fr, t_pbc *pbc,
- gmx_ana_pos_t *p, gmx_ana_selvalue_t *out, void *data);
+ gmx_ana_pos_t * p, gmx_ana_selvalue_t *out, void *data);
/** Parameters for the merging selection modifiers. */
static gmx_ana_selparam_t smparams_merge[] = {
"subexpressions.",
};
-/** \internal Selection method data for the \p plus modifier. */
+/** Selection method data for the \p plus modifier. */
gmx_ana_selmethod_t sm_merge = {
"merge", POS_VALUE, SMETH_MODIFIER,
asize(smparams_merge), smparams_merge,
{"merge POSEXPR", asize(help_merge), help_merge},
};
-/** \internal Selection method data for the \p plus modifier. */
+/** Selection method data for the \p plus modifier. */
gmx_ana_selmethod_t sm_plus = {
"plus", POS_VALUE, SMETH_MODIFIER,
asize(smparams_merge)-1, smparams_merge,
return data;
}
-/*!
- * \param[in] top Not used.
- * \param[in] npar Not used (should be 2 or 3).
- * \param[in] param Method parameters (should point to \ref smparams_merge).
- * \param[in] data Should point to a \p t_methoddata_merge.
- * \returns 0 if everything is successful, -1 on error.
- */
static void
-init_merge(t_topology *top, int npar, gmx_ana_selparam_t *param, void *data)
+init_merge(t_topology * /* top */, int /* npar */, gmx_ana_selparam_t * /* param */, void *data)
{
t_methoddata_merge *d = (t_methoddata_merge *)data;
{
t_methoddata_merge *d = (t_methoddata_merge *)data;
+ GMX_UNUSED_VALUE(top);
if (d->p1.m.type != d->p2.m.type)
{
/* TODO: Maybe we could pick something else here? */
delete d;
}
-/*!
- * \param[in] top Not used.
- * \param[in] fr Not used.
- * \param[in] pbc Not used.
- * \param[in] p Positions to merge (should point to \p data->p1).
- * \param[out] out Output data structure (\p out->u.p is used).
- * \param[in] data Should point to a \p t_methoddata_merge.
- */
static void
-evaluate_merge(t_topology *top, t_trxframe *fr, t_pbc *pbc,
- gmx_ana_pos_t *p, gmx_ana_selvalue_t *out, void *data)
+evaluate_merge(t_topology * /* top */, t_trxframe * /* fr */, t_pbc * /* pbc */,
+ gmx_ana_pos_t * /* p */, gmx_ana_selvalue_t *out, void *data)
{
t_methoddata_merge *d = (t_methoddata_merge *)data;
int i, j;
gmx_ana_pos_append_finish(out->u.p);
}
-/*!
- * \param[in] top Not used.
- * \param[in] fr Not used.
- * \param[in] pbc Not used.
- * \param[in] p Positions to merge (should point to \p data->p1).
- * \param[out] out Output data structure (\p out->u.p is used).
- * \param[in] data Should point to a \p t_methoddata_merge.
- */
static void
-evaluate_plus(t_topology *top, t_trxframe *fr, t_pbc *pbc,
- gmx_ana_pos_t *p, gmx_ana_selvalue_t *out, void *data)
+evaluate_plus(t_topology * /* top */, t_trxframe * /* fr */, t_pbc * /* pbc */,
+ gmx_ana_pos_t * /* p */, gmx_ana_selvalue_t *out, void *data)
{
t_methoddata_merge *d = (t_methoddata_merge *)data;
int i;