*/
int frflags;
/** TRUE if molecules should be made whole for each frame. */
- bool bRmPBC;
+ gmx_bool bRmPBC;
/*! \brief
* TRUE if periodic boundary conditions should be used.
*
* If the flag is FALSE, the \p pbc pointer passed to gmx_analysisfunc()
* is NULL.
*/
- bool bPBC;
+ gmx_bool bPBC;
/** Name of the trajectory file (NULL if not provided). */
char *trjfile;
/** The topology structure, or \p NULL if no topology loaded. */
t_topology *top;
/** TRUE if full tpx file was loaded, FALSE otherwise. */
- bool bTop;
+ gmx_bool bTop;
/** Coordinates from the topology (see \p bTopX). */
rvec *xtop;
/** The box loaded from the topology file. */
};
/** Loads the topology. */
-static int load_topology(gmx_ana_traj_t *d, bool bReq);
+static int load_topology(gmx_ana_traj_t *d, gmx_bool bReq);
/** Loads the first frame and does some checks. */
static int init_first_frame(gmx_ana_traj_t *d);
* \see \ref ANA_NOUSER_PBC
*/
int
-gmx_ana_set_pbc(gmx_ana_traj_t *d, bool bPBC)
+gmx_ana_set_pbc(gmx_ana_traj_t *d, gmx_bool bPBC)
{
d->bPBC = bPBC;
return 0;
* \param[in] d Trajectory analysis data structure.
* \returns TRUE if periodic boundary conditions are set to be used.
*/
-bool
+gmx_bool
gmx_ana_has_pbc(gmx_ana_traj_t *d)
{
return d->bPBC;
* \see \ref ANA_NOUSER_RMPBC
*/
int
-gmx_ana_set_rmpbc(gmx_ana_traj_t *d, bool bRmPBC)
+gmx_ana_set_rmpbc(gmx_ana_traj_t *d, gmx_bool bRmPBC)
{
d->bRmPBC = bRmPBC;
return 0;
{efDAT, "-sf", "selection", ffOPTRD},
{efNDX, NULL, NULL, ffOPTRD},
};
- bool bPBC = TRUE;
+ gmx_bool bPBC = TRUE;
t_pargs pbc_pa[] = {
{"-pbc", FALSE, etBOOL, {&bPBC},
"Use periodic boundary conditions for distance calculation"},
};
- bool bRmPBC = TRUE;
+ gmx_bool bRmPBC = TRUE;
t_pargs rmpbc_pa[] = {
{"-rmpbc", FALSE, etBOOL, {&bRmPBC},
"Make molecules whole for each frame"},
};
char *selection = NULL;
const char **rpost = NULL;
- bool bSelDump = FALSE;
+ gmx_bool bSelDump = FALSE;
t_pargs sel_pa[] = {
{"-select", FALSE, etSTR, {&selection},
"Selection string (use 'help' for help)"},
* The function can be called multiple times safely; extra calls are
* ignored.
*/
-static int load_topology(gmx_ana_traj_t *d, bool bReq)
+static int load_topology(gmx_ana_traj_t *d, gmx_bool bReq)
{
char title[STRLEN];
* The pointer returned in \p *top should not be freed.
*/
int
-gmx_ana_get_topology(gmx_ana_traj_t *d, bool bReq, t_topology **top, bool *bTop)
+gmx_ana_get_topology(gmx_ana_traj_t *d, gmx_bool bReq, t_topology **top, gmx_bool *bTop)
{
int rc;
int nr;
gmx_ana_indexgrps_t *grps;
int natoms;
- bool bStdIn;
- bool bInteractive;
- bool bOk;
+ gmx_bool bStdIn;
+ gmx_bool bInteractive;
+ gmx_bool bOk;
if (d->sel)
{