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Implementation of qpms_tmatrix_apply_operation(). 

Former-commit-id: 6773f0e1d02d5f929c2039f99338f08c25d0ccab
This commit is contained in:
Marek Nečada 2020-01-06 17:01:40 +02:00
parent dff8293e6d
commit c2b4787cd5
4 changed files with 78 additions and 16 deletions
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3
qpms/CMakeLists.txt
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@ -3,6 +3,9 @@ find_package(GSL 2.0 REQUIRED)
find_package(BLAS REQUIRED)
find_package(LAPACK REQUIRED)
# disable an annoying warning that gives false positives probably due to a bug in gcc
# and other not very relevant warnings
set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-int-in-bool-context -Wno-comment")
#includes
set (DIRS ${GSL_INCLUDE_DIRS} ${GSLCBLAS_INCLUDE_DIRS})

3
qpms/scatsystem.h
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@ -122,9 +122,10 @@ typedef struct qpms_ss_particle_orbitinfo {
} qpms_ss_particle_orbitinfo_t;
struct qpms_trans_calculator;
struct qpms_epsmu_generator_t;
typedef struct qpms_scatsys_t {
qpms_qpms_epsmu_generator_t *medium; ///< Optical properties of the background medium.
struct qpms_qpms_epsmu_generator_t *medium; ///< Optical properties of the background medium.
qpms_abstract_tmatrix_t **tm; ///< T-matrices in the system
qpms_ss_tmi_t tm_count; ///< Number of all different T-matrices
qpms_ss_tmi_t tm_capacity; ///< Capacity of tm[].

65
qpms/tmatrices.c
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@ -1007,7 +1007,7 @@ void qpms_tmatrix_operation_clear(qpms_tmatrix_operation_t *f) {
if(f->op.irot3arr.owns_ops)
free(f->op.irot3arr.ops);
break;
case QPMS_TMATRIX_OPERATION_FINITE_GROUP: // Group never owned
case QPMS_TMATRIX_OPERATION_FINITE_GROUP_SYMMETRISE: // Group never owned
break;
case QPMS_TMATRIX_OPERATION_COMPOSE_SUM:
{
@ -1015,7 +1015,7 @@ void qpms_tmatrix_operation_clear(qpms_tmatrix_operation_t *f) {
&(f->op.compose_sum);
if(o->opmem) {
for(size_t i = 0; i < o->n; ++i)
qpms_tmatrix_operation_clear(o->ops[i]);
qpms_tmatrix_operation_clear(&(o->opmem[i]));
free(o->opmem);
}
free(o->ops);
@ -1027,7 +1027,7 @@ void qpms_tmatrix_operation_clear(qpms_tmatrix_operation_t *f) {
&(f->op.compose_chain);
if(o->opmem) {
for(size_t i = 0; i < o->n; ++i)
qpms_tmatrix_operation_clear(o->ops[i]);
qpms_tmatrix_operation_clear(&(o->opmem[i]));
free(o->opmem);
}
free(o->ops);
@ -1037,3 +1037,62 @@ void qpms_tmatrix_operation_clear(qpms_tmatrix_operation_t *f) {
QPMS_WTF;
}
}
qpms_tmatrix_t *qpms_tmatrix_apply_operation(
const qpms_tmatrix_operation_t *f, const qpms_tmatrix_t *orig) {
// Certain operations could be optimized, but the effect would be marginal.
qpms_tmatrix_t *res = qpms_tmatrix_copy(orig);
return qpms_tmatrix_apply_operation_inplace(f, res);
}
static qpms_tmatrix_t *qtao_compose_sum_inplace(qpms_tmatrix_t *T,
const struct qpms_tmatrix_operation_compose_sum *cs) {
qpms_tmatrix_t *tmp_target = qpms_tmatrix_init(T->spec);
qpms_tmatrix_t *sum = qpms_tmatrix_init(T->spec);
for (size_t i = 0; i < cs->n; ++i) {
memcpy(tmp_target->m, T->m, SQ(T->spec->n) * sizeof(complex double));
QPMS_ENSURE(qpms_tmatrix_apply_operation_inplace(cs->ops[i] , tmp_target),
"Got NULL pointer from qpms_tmatrix_apply_operation_inplace, hupsis!");
for (size_t j = 0; j < SQ(T->spec->n); ++j)
sum->m[j] += tmp_target->m[j];
}
for(size_t j = 0; j < SQ(T->spec->n); ++j)
T->m[j] = sum->m[j] * cs->factor;
qpms_tmatrix_free(sum);
qpms_tmatrix_free(tmp_target);
return T;
}
static qpms_tmatrix_t *qtao_compose_chain_inplace(qpms_tmatrix_t *T,
const struct qpms_tmatrix_operation_compose_chain *cc) {
for(size_t i = 0; i < cc->n; ++i)
qpms_tmatrix_apply_operation_inplace(cc->ops[i], T);
return T;
}
static qpms_tmatrix_t *qtao_scmulz_inplace(qpms_tmatrix_t *T,
const struct qpms_tmatrix_operation_scmulz *s) {
for(size_t i = 0; i < SQ(T->spec->n); ++i)
T->m[i] *= s->m[i];
return T;
}
qpms_tmatrix_t *qpms_tmatrix_apply_operation_inplace(
const qpms_tmatrix_operation_t *f, qpms_tmatrix_t *T) {
switch(f->typ) {
case QPMS_TMATRIX_OPERATION_LRMATRIX:
return qpms_tmatrix_apply_symop_inplace(T, f->op.lrmatrix.m);
case QPMS_TMATRIX_OPERATION_IROT3:
return qpms_tmatrix_symmetrise_irot3arr_inplace(T, 1, &(f->op.irot3));
case QPMS_TMATRIX_OPERATION_FINITE_GROUP_SYMMETRISE:
return qpms_tmatrix_symmetrise_finite_group_inplace(T, f->op.finite_group);
case QPMS_TMATRIX_OPERATION_COMPOSE_SUM:
return qtao_compose_sum_inplace(T, &(f->op.compose_sum));
case QPMS_TMATRIX_OPERATION_COMPOSE_CHAIN:
return qtao_compose_chain_inplace(T, &(f->op.compose_chain));
case QPMS_TMATRIX_OPERATION_SCMULZ:
return qtao_scmulz_inplace(T, &(f->op.scmulz));
default:
QPMS_WTF;
}
}

23
qpms/tmatrices.h
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@ -235,7 +235,7 @@ qpms_tmatrix_t *qpms_tmatrix_symmetrise_finite_group_inplace(
complex double *qpms_apply_tmatrix(
complex double *f_target, ///< Scattered field coefficient array of size T->spec->n; if NULL, a new one is allocated.
const complex double *a, ///< Incident field coefficient array of size T->spec->n.
const qpms_tmatrix_t *T
const qpms_tmatrix_t *T ///< T-matrix \a T to apply.
);
/// Generic T-matrix generator function that fills a pre-initialised qpms_tmatrix_t given a frequency.
@ -429,7 +429,7 @@ qpms_arc_function_retval_t qpms_arc_cylinder(double theta,
);
/// Arc parametrisation of spherical particle; for qpms_arc_function_t.
/** Useful mostly only for benchmarks, as one can use the Mie-Lorentz solution. */
/** Useful mostly only for benchmarks or debugging, as one can use the Mie-Lorentz solution. */
qpms_arc_function_retval_t qpms_arc_sphere(double theta,
const void *R; ///< Points to double containing particle's radius.
);
@ -520,7 +520,7 @@ typedef struct qpms_tmatrix_function_t {
/// Specifies different kinds of operations done on T-matrices
typedef enum {
QPMS_TMATRIX_OPERATION_LRMATRIX, ///< General matrix transformation \f[ T' = MTM^\dagger \f]; see @ref qpms_tmatrix_operation_lrmatrix.
QPMS_TMATRIX_OPERATION_LRMATRIX, ///< General matrix transformation \f$ T' = MTM^\dagger \f$; see @ref qpms_tmatrix_operation_lrmatrix.
QPMS_TMATRIX_OPERATION_IROT3, ///< Single rotoreflection specified by a qpms_irot3_t.
QPMS_TMATRIX_OPERATION_IROT3ARR, ///< Symmetrise using an array of rotoreflection; see @ref qpms_tmatrix_operation_irot3arr.
QPMS_TMATRIX_OPERATION_COMPOSE_SUM, ///< Apply several transformations and sum the results, see @ref qpms_tmatrix_operation_compose_sum.
@ -534,13 +534,13 @@ typedef enum {
struct qpms_tmatrix_operation_lrmatrix {
/// Raw matrix data of \a M in row-major order.
/** The matrix must be taylored for the given bspec! */
const complex double *m;
complex double *m;
bool owns_m; ///< Whether \a m is owned by this;
};
struct qpms_tmatrix_operation_t; // Forward declaration for the composed operations.
/// Specifies a composed operation of type \f$ T' = c\Sum_i f_i'(T) \f$ for qpms_tmatrix_operation_t.
/// Specifies a composed operation of type \f$ T' = c\sum_i f_i'(T) \f$ for qpms_tmatrix_operation_t.
struct qpms_tmatrix_operation_compose_sum {
size_t n; ///< Number of operations in ops;
const struct qpms_tmatrix_operation_t **ops; ///< Operations array. (Pointers array \a ops[] always owned by this.)
@ -550,21 +550,21 @@ struct qpms_tmatrix_operation_compose_sum {
* the memory held by \a opmem and to be properly initialised.
* Each \a ops member has to point to _different_ elements of \a opmem.
*/
qpms_tmatrix_operation_t *opmem;
struct qpms_tmatrix_operation_t *opmem;
};
/// Specifies a composed operation of type \f$ T' = f_{n-1}(f_{n-2}(\dots f_0(T)\dots))) \f$ for qpms_tmatrix_operation_t.
struct qpms_tmatrix_operation_compose_chain {
size_t n; ///< Number of operations in ops;
const struct qpms_tmatrix_operation_t **ops; ///< Operations array. (Pointers owned by this.)
qpms_tmatrix_operation_t *opmem; ///< (Optional) operations buffer into which elements of \a ops point. (Owned by this or NULL.)
struct qpms_tmatrix_operation_t *opmem; ///< (Optional) operations buffer into which elements of \a ops point. (Owned by this or NULL.)
};
/// Specifies an elementwise complex multiplication of type \f$ T'_{ij} = M_{ij}T_{ij} \f$ for qpms_tmatrix_operation_t.
struct qpms_tmatrix_operation_scmulz {
/// Raw matrix data of \a M in row-major order.
/** The matrix must be taylored for the given bspec! */
const complex double *m;
complex double *m;
bool owns_m; ///< Whether \a m is owned by this.
};
@ -573,7 +573,7 @@ struct qpms_tmatrix_operation_scmulz {
* or qpms_symmetrise_tmdata_irot3arr_inplace(). */
struct qpms_tmatrix_operation_irot3arr {
size_t n; ///< Number of rotoreflections;
const qpms_irot3_t *ops; ///< Rotoreflection array of size \a n.
qpms_irot3_t *ops; ///< Rotoreflection array of size \a n.
bool owns_ops; ///< Whether \a ops array is owned by this.
};
@ -584,14 +584,13 @@ typedef struct qpms_tmatrix_operation_t {
union {
struct qpms_tmatrix_operation_lrmatrix lrmatrix;
struct qpms_tmatrix_operation_scmulz scmulz;
qpms_irot3 irot3; ///< Single rotoreflection; \a typ = QPMS_TMATRIX_OPERATION_IROT3
struct qpms_tmatrix_operation_finite_group finite_group;
qpms_irot3_t irot3; ///< Single rotoreflection; \a typ = QPMS_TMATRIX_OPERATION_IROT3
struct qpms_tmatrix_operation_irot3arr irot3arr;
struct qpms_tmatrix_operation_compose_sum compose_sum;
struct qpms_tmatrix_operation_compose_chain compose_chain;
/// Finite group for QPMS_TMATRIX_OPERATION_FINITE_GROUP_SYMMETRISE.
/** Not owned by this; \a rep3d must be filled. */
const qpms_finite_group_t *finitegroup;
const qpms_finite_group_t *finite_group;
} op; ///< Operation data; actual type is determined by \a typ.
} qpms_tmatrix_operation_t;