From be8f55eb1f17c7af8f083691d2efcbcf8393f4b3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Fri, 10 Jan 2020 15:45:42 +0200 Subject: [PATCH] Update qpms_cdefs.pyx Former-commit-id: 7e1126b1bb594ffb1a8e5e9ed7a91839c0833b8f --- qpms/qpms_cdefs.pxd | 81 +++++++++++++++++++++++++++++++++------------ 1 file changed, 60 insertions(+), 21 deletions(-) diff --git a/qpms/qpms_cdefs.pxd b/qpms/qpms_cdefs.pxd index 56ac441..bf083ad 100644 --- a/qpms/qpms_cdefs.pxd +++ b/qpms/qpms_cdefs.pxd @@ -102,6 +102,7 @@ cdef extern from "qpms_types.h": QPMS_VSWF_ELECTRIC QPMS_VSWF_MAGNETIC QPMS_VSWF_LONGITUDINAL + ctypedef int32_t qpms_ss_tmgi_t ctypedef int32_t qpms_ss_tmi_t ctypedef int32_t qpms_ss_pi_t ctypedef int qpms_gmi_t @@ -150,6 +151,11 @@ cdef extern from "qpms_error.h": qpms_dbgmsg_flags qpms_dbgmsg_enable(qpms_dbgmsg_flags types) qpms_dbgmsg_flags qpms_dbgmsg_disable(qpms_dbgmsg_flags types) +cdef extern from "qpms/tolerances.h": + struct qpms_tolerance_spec_t: + pass # TODO + qpms_tolerance_spec_t QPMS_TOLERANCE_DEFAULT + # This is due to the fact that cython apparently cannot nest the unnamed struct/unions in an obvious way ctypedef union qpms_incfield_planewave_params_k: @@ -475,6 +481,23 @@ cdef extern from "tmatrices.h": double omega, cdouble epsilon_fg, cdouble epsilon_bg) qpms_errno_t qpms_tmatrix_generator_axialsym_RQ_transposed_fill(cdouble *target, cdouble omega, const qpms_tmatrix_generator_axialsym_param_t *param, qpms_normalisation_t norm, qpms_bessel_t J) + struct qpms_tmatrix_function_t: + const qpms_vswf_set_spec_t *spec + const qpms_tmatrix_generator_t *gen + ctypedef enum qpms_tmatrix_operation_kind_t: + QPMS_TMATRIX_OPERATION_NOOP + QPMS_TMATRIX_OPERATION_LRMATRIX + QPMS_TMATRIX_OPERATION_IROT3 + QPMS_TMATRIX_OPERATION_IROT3ARR + QPMS_TMATRIX_OPERATION_COMPOSE_SUM + QPMS_TMATRIX_OPERATION_COMPOSE_CHAIN + QPMS_TMATRIX_OPERATION_SCMULZ + QPMS_TMATRIX_OPERATION_FINITE_GROUP_SYMMETRISE + + struct qpms_tmatrix_operation_t: + qpms_tmatrix_operation_kind_t typ + pass # TODO add the op union later if needed + const qpms_tmatrix_operation_t qpms_tmatrix_operation_noop cdef extern from "pointgroups.h": bint qpms_pg_is_finite_axial(qpms_pointgroup_class cls) @@ -499,8 +522,14 @@ cdef extern from "scatsystem.h": struct qpms_particle_tid_t: cart3_t pos qpms_ss_tmi_t tmatrix_id + struct qpms_ss_derived_tmatrix_t: + qpms_ss_tmgi_t tmgi + qpms_tmatrix_operation_t op struct qpms_scatsys_t: - qpms_tmatrix_t **tm + qpms_epsmu_generator_t medium + qpms_tmatrix_function_t *tmg + qpms_ss_tmgi_t tmg_count + qpms_ss_derived_tmatrix_t **tm qpms_ss_tmi_t tm_count qpms_particle_tid_t *p qpms_ss_pi_t p_count @@ -508,10 +537,18 @@ cdef extern from "scatsystem.h": size_t fecv_size size_t *saecv_sizes const qpms_finite_group_t *sym - qpms_scatsys_t *qpms_scatsys_apply_symmetry(const qpms_scatsys_t *orig, const qpms_finite_group_t *sym) void qpms_scatsys_free(qpms_scatsys_t *s) qpms_errno_t qpms_scatsys_dump(qpms_scatsys_t *ss, char *path) #NI qpms_scatsys_t *qpms_scatsys_load(char *path) #NI + struct qpms_scatsys_at_omega_t: + const qpms_scatsys_t *ss + qpms_tmatrix_t **tm, + cdouble omega + qpms_epsmu_t medium + cdouble wavenumber + qpms_scatsys_at_omega_t *qpms_scatsys_apply_symmetry(const qpms_scatsys_t *orig, const qpms_finite_group_t *sym, + cdouble omega, const qpms_tolerance_spec_t *tol) + void qpms_scatsys_at_omega_free(qpms_scatsys_at_omega_t *ssw) 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, @@ -520,41 +557,43 @@ cdef extern from "scatsystem.h": const cdouble *orig_full, const qpms_scatsys_t *ss, qpms_iri_t iri) cdouble *qpms_scatsys_irrep_unpack_vector(cdouble *target_full, const cdouble *orig_packed, const qpms_scatsys_t *ss, qpms_iri_t iri, bint add) - cdouble *qpms_scatsys_build_modeproblem_matrix_full(cdouble *target, - const qpms_scatsys_t *ss, cdouble k) + cdouble *qpms_scatsysw_build_modeproblem_matrix_full(cdouble *target, + const qpms_scatsys_at_omega_t *ssw) cdouble *qpms_scatsys_build_translation_matrix_full(cdouble *target, const qpms_scatsys_t *ss, cdouble k) cdouble *qpms_scatsys_build_translation_matrix_e_full(cdouble *target, const qpms_scatsys_t *ss, cdouble k, qpms_bessel_t J) - cdouble *qpms_scatsys_build_modeproblem_matrix_irrep_packed(cdouble *target, - const qpms_scatsys_t *ss, qpms_iri_t iri, cdouble k) nogil + cdouble *qpms_scatsysw_build_modeproblem_matrix_irrep_packed(cdouble *target, + const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil cdouble *qpms_scatsys_build_translation_matrix_e_irrep_packed(cdouble *target, const qpms_scatsys_t *ss, qpms_iri_t iri, cdouble k, qpms_bessel_t J) nogil - cdouble *qpms_scatsys_build_modeproblem_matrix_irrep_packed_orbitorderR( - cdouble *target, const qpms_scatsys_t *ss, qpms_iri_t iri, cdouble k) nogil - cdouble *qpms_scatsys_build_modeproblem_matrix_irrep_packed_serial( - cdouble *target, const qpms_scatsys_t *ss, qpms_iri_t iri, cdouble k) nogil + cdouble *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_orbitorderR( + cdouble *target, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil + cdouble *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_serial( + cdouble *target, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) nogil cdouble *qpms_scatsys_incident_field_vector_full(cdouble *target_full, const qpms_scatsys_t *ss, qpms_incfield_t field_at_point, const void *args, bint add) - cdouble *qpms_scatsys_apply_Tmatrices_full(cdouble *target_full, const cdouble *inc_full, - const qpms_scatsys_t *ss) + cdouble *qpms_scatsysw_apply_Tmatrices_full(cdouble *target_full, const cdouble *inc_full, + const qpms_scatsys_at_omega_t *ssw) struct qpms_ss_LU: - const qpms_scatsys_t *ss + const qpms_scatsys_at_omega_t *ssw bint full qpms_iri_t iri cdouble *a int *ipiv void qpms_ss_LU_free(qpms_ss_LU lu) - qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_full_LU(cdouble *target, - int *target_piv, const qpms_scatsys_t *ss, cdouble k) - qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_irrep_packed_LU(cdouble *target, - int *target_piv, const qpms_scatsys_t *ss, qpms_iri_t iri, cdouble k) - qpms_ss_LU qpms_scatsys_modeproblem_matrix_full_factorise(cdouble *modeproblem_matrix_full, - int *target_piv, const qpms_scatsys_t *ss) - qpms_ss_LU qpms_scatsys_modeproblem_matrix_irrep_packed_factorise(cdouble *modeproblem_matrix_full, - int *target_piv, const qpms_scatsys_t *ss, qpms_iri_t iri) + qpms_ss_LU qpms_scatsysw_build_modeproblem_matrix_full_LU(cdouble *target, + int *target_piv, const qpms_scatsys_at_omega_t *ssw) + qpms_ss_LU qpms_scatsysw_build_modeproblem_matrix_irrep_packed_LU(cdouble *target, + int *target_piv, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) + qpms_ss_LU qpms_scatsysw_modeproblem_matrix_full_factorise(cdouble *modeproblem_matrix_full, + int *target_piv, const qpms_scatsys_at_omega_t *ssw) + qpms_ss_LU qpms_scatsysw_modeproblem_matrix_irrep_packed_factorise(cdouble *modeproblem_matrix_full, + int *target_piv, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri) cdouble *qpms_scatsys_scatter_solve(cdouble *target_f, const cdouble *a_inc, qpms_ss_LU ludata) + const qpms_vswf_set_spec_t *qpms_ss_bspec_tmi(const qpms_scatsys_t *ss, qpms_ss_tmi_t tmi) + const qpms_vswf_set_spec_t *qpms_ss_bspec_pi(const qpms_scatsys_t *ss, qpms_ss_pi_t pi) cdef extern from "ewald.h": struct qpms_csf_result: