From 2c12d28c70e28e493914023ed1a2e0ef1c27ecac Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Tue, 21 Dec 2021 12:31:32 +0200 Subject: [PATCH] Expose more testing functions via cython api. --- qpms/qpms_c.pyx | 26 ++++++++++++++++++++++---- qpms/qpms_cdefs.pxd | 5 +++++ 2 files changed, 27 insertions(+), 4 deletions(-) diff --git a/qpms/qpms_c.pyx b/qpms/qpms_c.pyx index c2437ad..d659a8b 100644 --- a/qpms/qpms_c.pyx +++ b/qpms/qpms_c.pyx @@ -696,7 +696,7 @@ cdef class ScatteringSystem: self.s, iri, 0) return target_np - def pack_matrix(self, fullmatrix, iri): + def pack_matrix(self, fullmatrix, iri, version='normal'): """Converts (projects) a matrix into an irrep subspace. Parameters @@ -728,10 +728,14 @@ cdef class ScatteringSystem: cdef np.ndarray[np.complex_t, ndim=2] target_np = np.empty( (rlen, rlen), dtype=complex, order='C') cdef cdouble[:,::1] target_view = target_np - qpms_scatsys_irrep_pack_matrix(&target_view[0][0], &fullmatrix_view[0][0], + if version == 'stupid': + qpms_scatsys_irrep_pack_matrix_stupid(&target_view[0][0], &fullmatrix_view[0][0], + self.s, iri) + else: + qpms_scatsys_irrep_pack_matrix(&target_view[0][0], &fullmatrix_view[0][0], self.s, iri) return target_np - def unpack_matrix(self, packedmatrix, iri): + def unpack_matrix(self, packedmatrix, iri, version='normal'): """Unpacks an "irrep-packed" excitation coefficient vector to full coordinates. Parameters @@ -764,7 +768,11 @@ cdef class ScatteringSystem: cdef np.ndarray[np.complex_t, ndim=2] target_np = np.empty( (flen, flen), dtype=complex, order='C') cdef cdouble[:,::1] target_view = target_np - qpms_scatsys_irrep_unpack_matrix(&target_view[0][0], &packedmatrix_view[0][0], + if version == 'stupid': + qpms_scatsys_irrep_unpack_matrix_stupid(&target_view[0][0], &packedmatrix_view[0][0], + self.s, iri, 0) + else: + qpms_scatsys_irrep_unpack_matrix(&target_view[0][0], &packedmatrix_view[0][0], self.s, iri, 0) return target_np @@ -816,6 +824,16 @@ cdef class ScatteringSystem: qpms_scatsys_periodic_build_translation_matrix_full(&target_view[0][0], self.s, wavenumber, &blochvector_c, eta) return target + def irrep_transform_matrix(self, qpms_iri_t iri): + self.check_s() + cdef size_t rlen = self.saecv_sizes[iri] + cdef size_t fullen = self.fecv_size + cdef np.ndarray[np.complex_t, ndim=2] target = np.empty( + (rlen, fullen), dtype=complex, order='C') + cdef cdouble[:,::1] target_view = target + qpms_scatsys_irrep_transform_matrix(&target_view[0][0], self.s, iri) + return target + def translation_matrix_packed(self, cdouble wavenumber, qpms_iri_t iri, J = QPMS_HANKEL_PLUS): self.check_s() cdef size_t rlen = self.saecv_sizes[iri] diff --git a/qpms/qpms_cdefs.pxd b/qpms/qpms_cdefs.pxd index 7394265..42e6423 100644 --- a/qpms/qpms_cdefs.pxd +++ b/qpms/qpms_cdefs.pxd @@ -645,6 +645,11 @@ cdef extern from "scatsystem.h": cdouble omega, const qpms_tolerance_spec_t *tol) qpms_scatsys_at_omega_t *qpms_scatsys_at_omega(const qpms_scatsys_t *ss, cdouble omega) void qpms_scatsys_at_omega_free(qpms_scatsys_at_omega_t *ssw) + cdouble *qpms_scatsys_irrep_transform_matrix(cdouble *target, const qpms_scatsys_t *ss, qpms_iri_t iri) + cdouble *qpms_scatsys_irrep_pack_matrix_stupid(cdouble *target_packed, + const cdouble *orig_full, const qpms_scatsys_t *ss, qpms_iri_t iri) + cdouble *qpms_scatsys_irrep_unpack_matrix_stupid(cdouble *target_full, + const cdouble *orig_packed, const qpms_scatsys_t *ss, qpms_iri_t iri, bint add) cdouble *qpms_scatsys_irrep_pack_matrix(cdouble *target_packed, const cdouble *orig_full, const qpms_scatsys_t *ss, qpms_iri_t iri) cdouble *qpms_scatsys_irrep_unpack_matrix(cdouble *target_full,