/*! \brief
* Creates a static base for position calculation.
*
* \param pc Data structure to copy.
* \returns Pointer to a newly allocated base for \p pc.
*
* Creates and returns a deep copy of \p pc, but clears the
* \ref POS_DYNAMIC and \ref POS_MASKONLY flags.
* The newly created structure is set as the base (\c gmx_ana_poscalc_t::sbase)
* of \p pc and inserted in the collection before \p pc.
*/
static gmx_ana_poscalc_t *
create_simple_base(gmx_ana_poscalc_t *pc)
{
gmx_ana_poscalc_t *base;
int flags;
flags = pc->flags & ~(POS_DYNAMIC | POS_MASKONLY);
base = pc->coll->createCalculation(pc->type, flags);
set_poscalc_maxindex(base, &pc->gmax, true);
snew(base->p, 1);
pc->sbase = base;
pc->coll->removeCalculation(base);
pc->coll->insertCalculation(base, pc);
return base;
}
/*! \brief
* Creates a static base for position calculation.
*
* \param pc Data structure to copy.
* \returns Pointer to a newly allocated base for \p pc.
*
* Creates and returns a deep copy of \p pc, but clears the
* \ref POS_DYNAMIC and \ref POS_MASKONLY flags.
* The newly created structure is set as the base (\c gmx_ana_poscalc_t::sbase)
* of \p pc and inserted in the collection before \p pc.
*/
static gmx_ana_poscalc_t *
create_simple_base(gmx_ana_poscalc_t *pc)
{
gmx_ana_poscalc_t *base;
int flags;
int rc;
flags = pc->flags & ~(POS_DYNAMIC | POS_MASKONLY);
rc = gmx_ana_poscalc_create(&base, pc->coll, pc->type, flags);
if (rc != 0)
{
gmx_fatal(FARGS, "position calculation base creation failed");
}
set_poscalc_maxindex(base, &pc->gmax, TRUE);
snew(base->p, 1);
pc->sbase = base;
remove_poscalc(base);
insert_poscalc(base, pc);
return base;
}
/*!
* \param[in,out] pc Position calculation data structure.
* \param[in] g Maximum index group for the calculation.
*
* Subsequent calls to gmx_ana_poscalc_update() should use only subsets of
* \p g for evaluation.
*
* The topology should have been set for the collection of which \p pc is
* a member.
*/
void
gmx_ana_poscalc_set_maxindex(gmx_ana_poscalc_t *pc, gmx_ana_index_t *g)
{
set_poscalc_maxindex(pc, g, FALSE);
setup_base(pc);
}
