int *excl;
/** Whether to try grid searching. */
- bool bTryGrid;
+ gmx_bool bTryGrid;
/** Whether grid searching is actually used for the current positions. */
- bool bGrid;
+ gmx_bool bGrid;
/** Array allocated for storing in-unit-cell reference positions. */
rvec *xref_alloc;
/** FALSE if the box is rectangular. */
- bool bTric;
+ gmx_bool bTric;
/** Box vectors of a single grid cell. */
matrix cellbox;
/** The reciprocal cell vectors as columns; the inverse of \p cellbox. */
* \param[in] pbc Information about the box.
* \returns FALSE if grid search is not suitable.
*/
-static bool
+static gmx_bool
grid_setup_cells(gmx_ana_nbsearch_t *d, t_pbc *pbc)
{
real targetsize;
* \param[in] pbc Information about the box.
* \returns FALSE if grid search is not suitable.
*/
-static bool
+static gmx_bool
grid_set_box(gmx_ana_nbsearch_t *d, t_pbc *pbc)
{
int dd;
/*! \brief
* Helper function to check whether a reference point should be excluded.
*/
-static bool
+static gmx_bool
is_excluded(gmx_ana_nbsearch_t *d, int j)
{
if (d->exclind < d->nexcl)
/*! \brief
* Does a grid search.
*/
-static bool
+static gmx_bool
grid_search(gmx_ana_nbsearch_t *d,
- bool (*action)(gmx_ana_nbsearch_t *d, int i, real r2))
+ gmx_bool (*action)(gmx_ana_nbsearch_t *d, int i, real r2))
{
int i;
rvec dx;
*
* Simply breaks the loop on the first found neighbor.
*/
-static bool
+static gmx_bool
within_action(gmx_ana_nbsearch_t *d, int i, real r2)
{
return TRUE;
/*! \brief
* Helper function to use with grid_search() to find the minimum distance.
*/
-static bool
+static gmx_bool
mindist_action(gmx_ana_nbsearch_t *d, int i, real r2)
{
d->cutoff2 = r2;
* \returns TRUE if \p x is within the cutoff of any reference position,
* FALSE otherwise.
*/
-bool
+gmx_bool
gmx_ana_nbsearch_is_within(gmx_ana_nbsearch_t *d, rvec x)
{
grid_search_start(d, x);
* \returns TRUE if the test position is within the cutoff of any reference
* position, FALSE otherwise.
*/
-bool
+gmx_bool
gmx_ana_nbsearch_pos_is_within(gmx_ana_nbsearch_t *d, gmx_ana_pos_t *p, int i)
{
return gmx_ana_nbsearch_is_within(d, p->x[i]);
* \param[out] jp Index of the reference position in the first pair.
* \returns TRUE if there are positions within the cutoff.
*/
-bool
+gmx_bool
gmx_ana_nbsearch_first_within(gmx_ana_nbsearch_t *d, rvec x, int *jp)
{
grid_search_start(d, x);
* \param[out] jp Index of the reference position in the first pair.
* \returns TRUE if there are positions within the cutoff.
*/
-bool
+gmx_bool
gmx_ana_nbsearch_pos_first_within(gmx_ana_nbsearch_t *d, gmx_ana_pos_t *p,
int i, int *jp)
{
* \param[out] jp Index of the test position in the next pair.
* \returns TRUE if there are positions within the cutoff.
*/
-bool
+gmx_bool
gmx_ana_nbsearch_next_within(gmx_ana_nbsearch_t *d, int *jp)
{
if (grid_search(d, &within_action))