예제 #1
0
파일: poscalc.cpp 프로젝트: hasagar/gromacs
gmx_ana_poscalc_t *
PositionCalculationCollection::Impl::createCalculation(e_poscalc_t type, int flags)
{
    gmx_ana_poscalc_t *pc;

    snew(pc, 1);
    pc->type     = type;
    pc->itype    = index_type_for_poscalc(type);
    gmx_ana_poscalc_set_flags(pc, flags);
    pc->refcount = 1;
    pc->coll     = this;
    insertCalculation(pc, NULL);
    return pc;
}
예제 #2
0
/*!
 * \param[out] pcp   Position calculation data structure pointer to initialize.
 * \param[in,out] pcc   Position calculation collection.
 * \param[in]  type  Type of calculation.
 * \param[in]  flags Flags for setting calculation options
 *   (see \ref poscalc_flags "documentation of the flags").
 * \returns    0 on success.
 */
int
gmx_ana_poscalc_create(gmx_ana_poscalc_t **pcp, gmx_ana_poscalc_coll_t *pcc,
                       e_poscalc_t type, int flags)
{
    gmx_ana_poscalc_t *pc;

    snew(pc, 1);
    pc->type     = type;
    gmx_ana_poscalc_set_flags(pc, flags);
    pc->refcount = 1;
    pc->coll     = pcc;
    insert_poscalc(pc, NULL);
    *pcp = pc;
    return 0;
}