C++ (Cpp) evaluate_coord 예제들

예제 #1

파일: sm_simple.cpp 프로젝트: daniellandau/gromacs

/*!
 * See sel_updatefunc() for description of the parameters.
 * \p data is not used.
 *
 * Returns the \p z coordinate for each atom in \p out->u.r.
 */
static void
evaluate_z(t_topology * /*top*/, t_trxframe * /*fr*/, t_pbc * /*pbc*/,
           gmx_ana_pos_t *pos, gmx_ana_selvalue_t *out, void * /*data*/)
{
    out->nr = pos->m.mapb.nra;
    evaluate_coord(out->u.r, pos, ZZ);
}

예제 #2

파일: sm_simple.cpp 프로젝트: aeszter/gromacs

/*!
 * See sel_updatefunc() for description of the parameters.
 * \p data is not used.
 *
 * Returns the \p z coordinate for each atom in \p out->u.r.
 */
static int
evaluate_z(t_topology *top, t_trxframe *fr, t_pbc *pbc,
           gmx_ana_pos_t *pos, gmx_ana_selvalue_t *out, void *data)
{
    out->nr = pos->g->isize;
    evaluate_coord(fr, pos->g, out->u.r, pos, ZZ);
    return 0;
}