Solve scattering problem using LU decomposition.
Former-commit-id: 32388ecc2da5d60a3b3616a765c0ecaed87fb4fd
This commit is contained in:
Marek Nečada
parent
5758c5d587
commit
0ffee1a073
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@ -1681,6 +1681,8 @@ cdef class ScatteringSystem:
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return ar
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def planewave_full(self, k_cart, E_cart):
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k_cart = np.array(k_cart)
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E_cart = np.array(E_cart)
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if k_cart.shape != (3,) or E_cart.shape != (3,):
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raise ValueError("k_cart and E_cart must be ndarrays of shape (3,)")
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cdef qpms_incfield_planewave_params_t p
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@ -1709,7 +1711,57 @@ cdef class ScatteringSystem:
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cdef cdouble[::1] target_view = target_np
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qpms_scatsys_apply_Tmatrices_full(&target_view[0], &a_view[0], self.s)
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return target_np
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cdef qpms_scatsys_t *rawpointer(self):
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return self.s
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def scatter_solver(self, double k, iri=None):
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return ScatteringMatrix(self, k, iri)
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cdef class ScatteringMatrix:
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'''
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Wrapper over the C qpms_ss_LU structure that keeps the factorised mode problem matrix.
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'''
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cdef ScatteringSystem ss # Here we keep the reference to the parent scattering system
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cdef qpms_ss_LU lu
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def __cinit__(self, ScatteringSystem ss, double k, iri=None):
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self.ss = ss
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# TODO? pre-allocate the matrix with numpy to make it transparent?
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if iri is None:
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self.lu = qpms_scatsys_build_modeproblem_matrix_full_LU(
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NULL, NULL, ss.rawpointer(), k)
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else:
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self.lu = qpms_scatsys_build_modeproblem_matrix_irrep_packed_LU(
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NULL, NULL, ss.rawpointer(), iri, k)
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def __dealloc__(self):
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qpms_ss_LU_free(self.lu)
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property iri:
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def __get__(self):
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return None if self.lu.full else self.lu.iri
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def __call__(self, a_inc):
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cdef size_t vlen
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cdef qpms_iri_t iri = -1;
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if self.lu.full:
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vlen = self.lu.ss[0].fecv_size
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if len(a_inc) != vlen:
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raise ValueError("Length of a full coefficient vector has to be %d, not %d"
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% (vlen, len(a_inc)))
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else:
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iri = self.lu.iri
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vlen = self.lu.ss[0].saecv_sizes[iri]
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if len(a_inc) != vlen:
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raise ValueError("Length of a %d. irrep packed coefficient vector has to be %d, not %d"
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% (iri, vlen, len(a_inc)))
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a_inc = np.array(a_inc, dtype=complex, copy=False, order='C')
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cdef const cdouble[::1] a_view = a_inc;
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cdef np.ndarray f = np.empty((vlen,), dtype=complex, order='C')
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cdef cdouble[::1] f_view = f
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qpms_scatsys_scatter_solve(&f_view[0], &a_view[0], self.lu)
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return f
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def tlm2uvswfi(t, l, m):
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@ -398,6 +398,20 @@ cdef extern from "scatsystem.h":
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const void *args, bint add)
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cdouble *qpms_scatsys_apply_Tmatrices_full(cdouble *target_full, const cdouble *inc_full,
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const qpms_scatsys_t *ss)
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struct qpms_ss_LU:
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const qpms_scatsys_t *ss
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bint full
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qpms_iri_t iri
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cdouble *a
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int *ipiv
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void qpms_ss_LU_free(qpms_ss_LU lu)
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qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_full_LU(cdouble *target,
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int *target_piv, const qpms_scatsys_t *ss, double k)
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qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_irrep_packed_LU(cdouble *target,
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int *target_piv, const qpms_scatsys_t *ss, qpms_iri_t iri, double k)
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qpms_ss_LU qpms_scatsys_modeproblem_matrix_full_factorise(cdouble *modeproblem_matrix_full,
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int *target_piv, const qpms_scatsys_t *ss)
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qpms_ss_LU qpms_scatsys_modeproblem_matrix_irrep_packed_factorise(cdouble *modeproblem_matrix_full,
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int *target_piv, const qpms_scatsys_t *ss, qpms_iri_t iri)
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cdouble *qpms_scatsys_scatter_solve(cdouble *target_f, const cdouble *a_inc, qpms_ss_LU ludata)
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@ -1,4 +1,9 @@
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#include <stdlib.h>
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#define lapack_int int
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#define lapack_complex_double complex double
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#define lapack_complex_double_real(z) (creal(z))
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#define lapack_complex_double_imag(z) (cimag(z))
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#include <lapacke.h>
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#include <cblas.h>
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#include <lapacke.h>
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#include "scatsystem.h"
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@ -1738,3 +1743,63 @@ ccart3_t qpms_scatsys_eval_E_irrep(const qpms_scatsys_t *ss,
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}
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#endif
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void qpms_ss_LU_free(qpms_ss_LU lu) {
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free(lu.a);
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free(lu.ipiv);
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}
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qpms_ss_LU qpms_scatsys_modeproblem_matrix_full_factorise(complex double *mpmatrix_full,
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int *target_piv, const qpms_scatsys_t *ss) {
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QPMS_ENSURE(mpmatrix_full, "A non-NULL pointer to the pre-calculated mode matrix is required");
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if (!target_piv) QPMS_CRASHING_MALLOC(target_piv, ss->fecv_size * sizeof(int));
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QPMS_ENSURE_SUCCESS(LAPACKE_zgetrf(LAPACK_ROW_MAJOR, ss->fecv_size, ss->fecv_size,
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mpmatrix_full, ss->fecv_size, target_piv));
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qpms_ss_LU lu;
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lu.a = mpmatrix_full;
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lu.ipiv = target_piv;
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lu.ss = ss;
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lu.full = true;
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lu.iri = -1;
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return lu;
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}
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qpms_ss_LU qpms_scatsys_modeproblem_matrix_irrep_packed_factorise(complex double *mpmatrix_packed,
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int *target_piv, const qpms_scatsys_t *ss, qpms_iri_t iri) {
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QPMS_ENSURE(mpmatrix_packed, "A non-NULL pointer to the pre-calculated mode matrix is required");
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size_t n = ss->saecv_sizes[iri];
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if (!target_piv) QPMS_CRASHING_MALLOC(target_piv, n * sizeof(int));
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QPMS_ENSURE_SUCCESS(LAPACKE_zgetrf(LAPACK_ROW_MAJOR, n, n,
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mpmatrix_packed, n, target_piv));
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qpms_ss_LU lu;
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lu.a = mpmatrix_packed;
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lu.ipiv = target_piv;
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lu.ss = ss;
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lu.full = false;
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lu.iri = iri;
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return lu;
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}
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qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_full_LU(
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complex double *target, int *target_piv,
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const qpms_scatsys_t *ss, double k){
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target = qpms_scatsys_build_modeproblem_matrix_full(target, ss, k);
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return qpms_scatsys_modeproblem_matrix_full_factorise(target, target_piv, ss);
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}
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qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_irrep_packed_LU(
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complex double *target, int *target_piv,
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const qpms_scatsys_t *ss, qpms_iri_t iri, double k){
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target = qpms_scatsys_build_modeproblem_matrix_irrep_packed(target, ss, iri, k);
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return qpms_scatsys_modeproblem_matrix_irrep_packed_factorise(target, target_piv, ss, iri);
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}
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complex double *qpms_scatsys_scatter_solve(
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complex double *f, const complex double *a_inc, qpms_ss_LU lu) {
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const size_t n = lu.full ? lu.ss->fecv_size : lu.ss->saecv_sizes[lu.iri];
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if (!f) QPMS_CRASHING_MALLOC(f, n * sizeof(complex double));
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memcpy(f, a_inc, n*sizeof(complex double)); // It will be rewritten by zgetrs
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QPMS_ENSURE_SUCCESS(LAPACKE_zgetrs(LAPACK_ROW_MAJOR, 'N' /*trans*/, n /*n*/, 1 /*nrhs number of right hand sides*/,
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lu.a /*a*/, n /*lda*/, lu.ipiv /*ipiv*/, f/*b*/, 1 /*ldb; CHECKME*/));
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return f;
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}
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@ -14,7 +14,6 @@
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#include "vswf.h"
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#include <stdbool.h>
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/// Overrides the number of threads spawned by the paralellized functions.
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/** TODO MORE DOC which are those? */
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void qpms_scatsystem_set_nthreads(long n);
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@ -297,13 +296,53 @@ complex double *qpms_scatsys_build_modeproblem_matrix_irrep_packed_orbitorder_pa
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/// LU factorisation (LAPACKE_zgetrf) result holder.
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typedef struct qpms_ss_LU {
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const qpms_scatsys_t *ss;
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bool full; ///< true if full matrix; false if irrep-packed.
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qpms_iri_t iri; ///< Irrep index if `full == false`.
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/// LU decomposition array.
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complex double *a;
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/// Pivot index array, size at least max(1,min(m, n)).
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lapack_int *ipiv;
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int *ipiv;
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} qpms_ss_LU;
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void qpms_ss_LU_free(qpms_ss_LU);
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/// Builds an LU-factorised mode/scattering problem \f$ (I - TS) \f$ matrix from scratch.
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qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_full_LU(
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complex double *target, ///< Pre-allocated target array. Optional (if NULL, new one is allocated).
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int *target_piv, ///< Pre-allocated pivot array. Optional (if NULL, new one is allocated).
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const qpms_scatsys_t *ss,
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/*COMPLEXIFY*/ double k ///< Wave number to use in the translation matrix.
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);
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/// Builds an irrep-packed LU-factorised mode/scattering problem matrix from scratch.
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qpms_ss_LU qpms_scatsys_build_modeproblem_matrix_irrep_packed_LU(
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complex double *target, ///< Pre-allocated target array. Optional (if NULL, new one is allocated).
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int *target_piv, ///< Pre-allocated pivot array. Optional (if NULL, new one is allocated).
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const qpms_scatsys_t *ss, qpms_iri_t iri,
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/*COMPLEXIFY*/ double k ///< Wave number to use in the translation matrix.
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);
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/// Computes LU factorisation of a pre-calculated mode/scattering problem matrix, replacing its contents.
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qpms_ss_LU qpms_scatsys_modeproblem_matrix_full_factorise(
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complex double *modeproblem_matrix_full, ///< Pre-calculated mode problem matrix (I-TS). Mandatory.
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int *target_piv, ///< Pre-allocated pivot array. Optional (if NULL, new one is allocated).
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const qpms_scatsys_t *ss
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);
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/// Computes LU factorisation of a pre-calculated irrep-packed mode/scattering problem matrix, replacing its contents.
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qpms_ss_LU qpms_scatsys_modeproblem_matrix_irrep_packed_factorise(
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complex double *modeproblem_matrix_irrep_packed, ///< Pre-calculated mode problem matrix (I-TS). Mandatory.
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int *target_piv, ///< Pre-allocated pivot array. Optional (if NULL, new one is allocated).
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const qpms_scatsys_t *ss, qpms_iri_t iri
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);
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/// Solves a (possibly partial, irrep-packed) scattering problem \f$ (I-TS)f = Ta_\mathrm{inc} \f$ using a pre-factorised \f$ (I-TS) \f$.
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complex double *qpms_scatsys_scatter_solve(
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complex double *target_f, ///< Target (full or irrep-packed, depending on `ludata.full`) array for \a f. If NULL, a new one is allocated.
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const complex double *a_inc, ///< Incident field expansion coefficient vector \a a (full or irrep-packed, depending on `ludata.full`).
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qpms_ss_LU ludata ///< Pre-factorised \f$ I - TS \f$ matrix data.
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);
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void qpms_ss_LU_free(qpms_ss_LU *);
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/// NOT IMPLEMENTED Dumps a qpms_scatsys_t structure to a file.
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qpms_errno_t qpms_scatsys_dump(qpms_scatsys_t *ss, char *path);
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