From b62f1dadc598cb76b511cde2da93b95b24d31413 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Sun, 26 Jan 2020 08:23:47 +0200 Subject: [PATCH] WIP fixes, cython interface Former-commit-id: 8a97ee8adf11b21c6fbaf2d0afe6c6d2e81a8d69 --- qpms/qpms_c.pyx | 14 +++++++++++++- qpms/qpms_cdefs.pxd | 2 ++ qpms/scatsystem.c | 1 + qpms/scatsystem.h | 12 +++++++++++- 4 files changed, 27 insertions(+), 2 deletions(-) diff --git a/qpms/qpms_c.pyx b/qpms/qpms_c.pyx index 0ebc072..e421e31 100644 --- a/qpms/qpms_c.pyx +++ b/qpms/qpms_c.pyx @@ -422,8 +422,8 @@ cdef class ScatteringSystem: orig.p[pi].pos = p.cval().pos orig.p[pi].tmatrix_id = tmindices[tm_derived_key] ssw = qpms_scatsys_apply_symmetry(&orig, sym.rawpointer(), omega, &QPMS_TOLERANCE_DEFAULT) - qpms_ss_create_translation_cache(ss, caching_mode) ss = ssw[0].ss + qpms_ss_create_translation_cache(ss, caching_mode) finally: free(orig.tmg) free(orig.tm) @@ -606,6 +606,11 @@ cdef class ScatteringSystem: self.s, qpms_incfield_planewave, &p, 0) return target_np + property has_translation_cache: + def __get__(self): + self.check_s() + return True if qpms_scatsys_has_translation_cache(self.s) else False + def find_modes(self, cdouble omega_centre, double omega_rr, double omega_ri, iri = None, size_t contour_points = 20, double rank_tol = 1e-4, size_t rank_min_sel=1, double res_tol = 0): @@ -633,6 +638,8 @@ cdef class ScatteringSystem: cdef np.ndarray[double, ndim=1] ranktest_SV = np.empty((vlen), dtype=np.double) cdef double[::1] ranktest_SV_v = ranktest_SV + cdef size_t i, j + for i in range(neig): eigval_v[i] = res[0].eigval[i] eigval_err_v[i] = res[0].eigval_err[i] @@ -705,6 +712,10 @@ cdef class _ScatteringSystemAtOmega: def __get__(self): return self.ss_pyref.irrep_names property nirreps: def __get__(self): return self.ss_pyref.nirreps + property has_translation_cache: + def __get__(self): + self.check() + return True if qpms_scatsysw_has_translation_cache(self.ssw) else False def add_translation_cache(self): ''' @@ -715,6 +726,7 @@ cdef class _ScatteringSystemAtOmega: ''' self.check() qpms_ssw_create_translation_cache(self.ssw) + return self.has_translation_cache def modeproblem_matrix_full(self): self.check() diff --git a/qpms/qpms_cdefs.pxd b/qpms/qpms_cdefs.pxd index ba6477e..08c853c 100644 --- a/qpms/qpms_cdefs.pxd +++ b/qpms/qpms_cdefs.pxd @@ -609,6 +609,8 @@ cdef extern from "scatsystem.h": beyn_result_t *qpms_scatsys_finite_find_eigenmodes(const qpms_scatsys_t *ss, qpms_iri_t iri, cdouble omega_centre, double omega_rr, double omega_ri, size_t contour_npoints, double rank_tol, size_t rank_sel_min, double res_tol) + bint qpms_scatsysw_has_translation_cache(const qpms_scatsys_at_omega_t *ssw) + bint qpms_scatsys_has_translation_cache(const qpms_scatsys_t *ss) cdef extern from "ewald.h": struct qpms_csf_result: diff --git a/qpms/scatsystem.c b/qpms/scatsystem.c index 38b88b6..dfc42c1 100644 --- a/qpms/scatsystem.c +++ b/qpms/scatsystem.c @@ -210,6 +210,7 @@ qpms_scatsys_at_omega_t *qpms_scatsys_apply_symmetry(const qpms_scatsys_t *orig, QPMS_CRASHING_MALLOC(ssw, sizeof(*ssw)); // returned ssw->ss = ss; ssw->omega = omega; + ssw->translation_cache = NULL; ssw->medium = qpms_epsmu_generator_eval(ss->medium, omega); ssw->wavenumber = qpms_wavenumber(omega, ssw->medium); // we will be using ss->tm_capacity also for ssw->tm diff --git a/qpms/scatsystem.h b/qpms/scatsystem.h index 79fdf0d..3252418 100644 --- a/qpms/scatsystem.h +++ b/qpms/scatsystem.h @@ -193,6 +193,11 @@ typedef struct qpms_scatsys_t { } qpms_scatsys_t; +/// Returns true if ss has the translation caching metadata populated. +static inline _Bool qpms_scatsys_has_translation_cache(const qpms_scatsys_t *ss) { + return ss->tbooster != NULL; +} + /// Retrieve the bspec of \a tmi'th element of \a ss->tm. static inline const qpms_vswf_set_spec_t *qpms_ss_bspec_tmi(const qpms_scatsys_t *ss, qpms_ss_tmi_t tmi) { return ss->tmg[ss->tm[tmi].tmgi].spec; @@ -217,7 +222,7 @@ typedef struct qpms_scatsys_at_omega_t { qpms_epsmu_t medium; ///< Background medium optical properties at the given frequency complex double wavenumber; ///< Background medium wavenumber - struct qpms_scatsysw_translation_booster *translation_cache; ///< (private) cache to speedup tranlations + struct qpms_scatsysw_translation_booster *translation_cache; ///< (private) cache to speedup translations } qpms_scatsys_at_omega_t; @@ -283,6 +288,11 @@ typedef enum qpms_ss_caching_mode { QPMS_SS_CACHE_DEFAULT = QPMS_SS_CACHE_AUTO } qpms_ss_caching_mode_t; +/// Returns true if ssw has the translation operator cache populated. +static inline _Bool qpms_scatsysw_has_translation_cache(const qpms_scatsys_at_omega_t *ssw) { + return ssw->translation_cache != NULL; +} + /// Creates some data structures for speeding up translation operator calculations. /** This is mostly useful for "finite lattices", where many pairs of nanoparticles * share the same relative positions.