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Rewrite ScatteringSystem. Compiles, not tested. 

Former-commit-id: 513741a41cd9b65348a8e91c367cd105592a0d68
This commit is contained in:
Marek Nečada 2020-01-15 03:18:21 +02:00
parent 6d83e26aa7
commit 355bc52325
5 changed files with 201 additions and 87 deletions
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4
qpms/cytmatrices.pxd
View File

@ -1,5 +1,5 @@
cimport numpy as np
from .qpms_cdefs cimport qpms_tmatrix_t, cdouble, qpms_tmatrix_interpolator_t, qpms_tmatrix_generator_t
from .qpms_cdefs cimport qpms_tmatrix_t, cdouble, qpms_tmatrix_interpolator_t, qpms_tmatrix_generator_t, qpms_tmatrix_function_t
from .cybspec cimport BaseSpec
cdef class TMatrixInterpolator:
@ -23,7 +23,7 @@ cdef class TMatrixGenerator:
return &(self.g)
cdef class TMatrixFunction:
cdef readonly qpms_tmatrix_function_t f
cdef qpms_tmatrix_function_t f
cdef readonly TMatrixGenerator generator # reference holder
cdef readonly BaseSpec spec # reference holder
cdef inline qpms_tmatrix_function_t raw(self):

6
qpms/cytmatrices.pyx
View File

@ -237,8 +237,8 @@ cdef class TMatrixFunction:
def __init__(self, TMatrixGenerator tmg, BaseSpec spec):
self.generator = tmg
self.spec = spec
self.f.spec = self.generator.rawpointer()
self.f.gen = self.spec.rawpointer()
self.f.gen = self.generator.rawpointer()
self.f.spec = self.spec.rawpointer()
def __call__(self, cdouble omega, fill = None):
cdef CTMatrix tm
@ -246,7 +246,7 @@ cdef class TMatrixFunction:
tm = CTMatrix(self.spec, None)
else: # TODO check whether fill has the same bspec as self?
tm = fill
if self.g.function(tm.rawpointer(), omega, self.f.gen.params) != 0:
if self.f.gen.function(tm.rawpointer(), omega, self.f.gen.params) != 0:
raise ValueError("Something went wrong")
else:
return tm

259
qpms/qpms_c.pyx
View File

@ -12,7 +12,7 @@ from .cyquaternions cimport IRot3, CQuat
from .cybspec cimport BaseSpec
from .cycommon cimport make_c_string
from .cycommon import string_c2py, PointGroupClass
from .cytmatrices cimport CTMatrix
from .cytmatrices cimport CTMatrix, TMatrixFunction, TMatrixGenerator
from libc.stdlib cimport malloc, free, calloc
import warnings
@ -256,17 +256,37 @@ cdef class Particle:
Wrapper over the qpms_particle_t structure.
'''
cdef qpms_particle_t p
cdef readonly CTMatrix t # We hold the reference to the T-matrix to ensure correct reference counting
cdef readonly TMatrixFunction f # Reference to ensure correct reference counting
def __cinit__(Particle self, pos, CTMatrix t):
def __cinit__(Particle self, pos, t, bspec = None):
cdef TMatrixGenerator tgen
cdef BaseSpec spec
if(len(pos)>=2 and len(pos) < 4):
self.p.pos.x = pos[0]
self.p.pos.y = pos[1]
self.p.pos.z = pos[2] if len(pos)==3 else 0
else:
raise ValueError("Position argument has to contain 3 or 2 cartesian coordinates")
self.t = t
self.p.tmatrix = self.t.rawpointer()
if isinstance(t, CTMatrix):
tgen = TMatrixGenerator(t)
elif isinstance(t, TMatrixGenerator):
tgen = <TMatrixGenerator>t
else: raise TypeError('t must be either CTMatrix or TMatrixGenerator, was %s' % str(type(t)))
if bspec is not None:
spec = bspec
else:
if isinstance(tgen.holder, CTMatrix):
spec = (<CTMatrix>tgen.holder).spec
else:
raise ValueError("bspec argument must be specified separately for str(type(t))")
self.f = TMatrixFunction(tgen, spec)
self.p.tmg = self.f.rawpointer()
# TODO non-trivial transformations later; if modified, do not forget to update ScatteringSystem constructor
self.p.op = qpms_tmatrix_operation_noop
def __dealloc__(self):
qpms_tmatrix_operation_clear(&self.p.op)
cdef qpms_particle_t *rawpointer(Particle self):
'''Pointer to the qpms_particle_p structure.
@ -310,58 +330,105 @@ cpdef void scatsystem_set_nthreads(long n):
qpms_scatsystem_set_nthreads(n)
return
cdef class ScatteringSystem:
'''
Wrapper over the C qpms_scatsys_t structure.
'''
cdef list basespecs # Here we keep the references to occuring basespecs
cdef list tmgens # here we keep the references to occuring TMatrixGenerators
cdef list tmgobjs # here we keep the references to occuring TMatrixFunctions (and hence BaseSpecs and TMatrixGenerators)
#cdef list Tmatrices # Here we keep the references to occuring T-matrices
cdef qpms_scatsys_t *s
cdef qpms_tmatrix_function_t *tmg # this will ultimately contain pointers to stuff in basespecs and tmgens.
def __cinit__(self, particles, FinitePointGroup sym, omega):
'''TODO doc.
Takes the particles (which have to be a sequence of instances of Particle),
fills them together with their t-matrices to the "proto-qpms_scatsys_t"
orig and calls qpms_scatsys_apply_symmetry
(and then cleans orig)
'''
def check_s(self): # cdef instead?
if self.s == <qpms_scatsys_t *>NULL:
raise ValueError("ScatteringSystem's s-pointer not set. You must not use the default constructor; use the create() method instead")
#TODO is there a way to disable the constructor outside this module?
@staticmethod # We don't have any "standard" constructor for this right now
def create(particles, FinitePointGroup sym, cdouble omega): # TODO tolerances
# These we are going to construct
cdef ScatteringSystem self
cdef _ScatteringSystemAtOmega pyssw
cdef qpms_scatsys_t orig # This should be automatically init'd to 0 (CHECKME)
cdef qpms_ss_pi_t p_count = len(particles)
cdef qpms_ss_tmi_t tm_count = 0
cdef qpms_ss_pi_t pi, p_count = len(particles)
cdef qpms_ss_tmi_t tmi, tm_count = 0
cdef qpms_ss_tmgi_t tmgi, tmg_count = 0
cdef qpms_scatsys_at_omega_t *ssw
cdef qpms_scatsys_t *ss
cdef Particle p
tmgindices = dict()
tmgobjs = list()
tmindices = dict()
tmobjs = list()
self.basespecs=list()
for p in particles: # find and enumerate unique t-matrices
if id(p.t) not in tmindices:
tmindices[id(p.t)] = tm_count
tmobjs.append(p.t)
tmlist = list()
for p in particles: # find and enumerate unique t-matrix generators
if p.p.op.typ != QPMS_TMATRIX_OPERATION_NOOP:
raise NotImplementedError("currently, only no-op T-matrix operations are allowed in ScatteringSystem constructor")
tmg_key = id(p.f)
if tmg_key not in tmgindices:
tmgindices[tmg_key] = tmg_count
tmgobjs.append(p.f) # Save the references on BaseSpecs and TMatrixGenerators (via TMatrixFunctions)
tmg_count += 1
# Following lines have to be adjusted when nontrivial operations allowed:
tm_derived_key = (tmg_key, None) # TODO unique representation of p.p.op instead of None
if tm_derived_key not in tmindices:
tmindices[tm_derived_key] = tm_count
tmlist.append(tm_derived_key)
tm_count += 1
orig.tmg_count = tmg_count
orig.tm_count = tm_count
orig.p_count = p_count
for tm in tmobjs: # create references to BaseSpec objects
self.basespecs.append(tm.spec)
try:
orig.tm = <qpms_ss_derived_tmatrix_t **>malloc(orig.tm_count * sizeof(orig.tm[0]))
orig.tmg = <qpms_tmatrix_function_t *>malloc(orig.tmg_count * sizeof(orig.tmg[0]))
if not orig.tmg: raise MemoryError
orig.tm = <qpms_ss_derived_tmatrix_t *>malloc(orig.tm_count * sizeof(orig.tm[0]))
if not orig.tm: raise MemoryError
orig.p = <qpms_particle_tid_t *>malloc(orig.p_count * sizeof(orig.p[0]))
if not orig.p: raise MemoryError
for tmgi in range(orig.tmg_count):
orig.tmg[tmgi] = (<TMatrixFunction?>tmgobjs[tmgi]).raw()
for tmi in range(tm_count):
orig.tm[tmi] = (<CTMatrix?>(tmobjs[tmi])).rawpointer()
tm_derived_key = tmlist[tmi]
tmgi = tmgindices[tmg_key[0]]
orig.tm[tmi].tmgi = tmgi
orig.tm[tmi].op = qpms_tmatrix_operation_noop # TODO adjust when notrivial operations allowed
for pi in range(p_count):
orig.p[pi].pos = (<Particle?>(particles[pi])).cval().pos
orig.p[pi].tmatrix_id = tmindices[id(particles[pi].t)]
self.s = qpms_scatsys_apply_symmetry(&orig, sym.rawpointer())
p = particles[pi]
tmg_key = id(p.f)
tm_derived_key = (tmg_key, None) # TODO unique representation of p.p.op instead of None
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)
ss = ssw[0].ss
finally:
free(orig.tmg)
free(orig.tm)
free(orig.p)
self = ScatteringSystem()
self.s = ss
self.tmgobjs = tmgobjs
pyssw = _ScatteringSystemAtOmega()
pyssw.ssw = ssw
pyssw.ss_pyref = self
return self, pyssw
def __call__(self, cdouble omega):
self.check_s()
cdef _ScatteringSystemAtOmega pyssw = _ScatteringSystemAtOmega()
pyssw.ssw = qpms_scatsys_at_omega(self.s, omega)
pyssw.ss_pyref = self
def __dealloc__(self):
qpms_scatsys_free(self.s)
if(self.s):
qpms_scatsys_free(self.s)
property particles_tmi:
def __get__(self):
self.check_s()
r = list()
cdef qpms_ss_pi_t pi
for pi in range(self.s[0].p_count):
@ -369,20 +436,27 @@ cdef class ScatteringSystem:
return r
property fecv_size:
def __get__(self): return self.s[0].fecv_size
def __get__(self):
self.check_s()
return self.s[0].fecv_size
property saecv_sizes:
def __get__(self):
self.check_s()
return [self.s[0].saecv_sizes[i]
for i in range(self.s[0].sym[0].nirreps)]
property irrep_names:
def __get__(self):
self.check_s()
return [string_c2py(self.s[0].sym[0].irreps[iri].name)
if (self.s[0].sym[0].irreps[iri].name) else None
for iri in range(self.s[0].sym[0].nirreps)]
property nirreps:
def __get__(self): return self.s[0].sym[0].nirreps
def __get__(self):
self.check_s()
return self.s[0].sym[0].nirreps
def pack_vector(self, vect, iri):
self.check_s()
if len(vect) != self.fecv_size:
raise ValueError("Length of a full vector has to be %d, not %d"
% (self.fecv_size, len(vect)))
@ -394,6 +468,7 @@ cdef class ScatteringSystem:
qpms_scatsys_irrep_pack_vector(&target_view[0], &vect_view[0], self.s, iri)
return target_np
def unpack_vector(self, packed, iri):
self.check_s()
if len(packed) != self.saecv_sizes[iri]:
raise ValueError("Length of %d. irrep-packed vector has to be %d, not %d"
% (iri, self.saecv_sizes, len(packed)))
@ -406,6 +481,7 @@ cdef class ScatteringSystem:
self.s, iri, 0)
return target_np
def pack_matrix(self, fullmatrix, iri):
self.check_s()
cdef size_t flen = self.s[0].fecv_size
cdef size_t rlen = self.saecv_sizes[iri]
fullmatrix = np.array(fullmatrix, dtype=complex, copy=False, order='C')
@ -420,6 +496,7 @@ cdef class ScatteringSystem:
self.s, iri)
return target_np
def unpack_matrix(self, packedmatrix, iri):
self.check_s()
cdef size_t flen = self.s[0].fecv_size
cdef size_t rlen = self.saecv_sizes[iri]
packedmatrix = np.array(packedmatrix, dtype=complex, copy=False, order='C')
@ -434,29 +511,8 @@ cdef class ScatteringSystem:
self.s, iri, 0)
return target_np
def modeproblem_matrix_full(self, double k):
cdef size_t flen = self.s[0].fecv_size
cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
(flen,flen),dtype=complex, order='C')
cdef cdouble[:,::1] target_view = target
qpms_scatsys_build_modeproblem_matrix_full(&target_view[0][0], self.s, k)
return target
def modeproblem_matrix_packed(self, double k, qpms_iri_t iri, version='pR'):
cdef size_t rlen = self.saecv_sizes[iri]
cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
(rlen,rlen),dtype=complex, order='C')
cdef cdouble[:,::1] target_view = target
if (version == 'R'):
qpms_scatsys_build_modeproblem_matrix_irrep_packed_orbitorderR(&target_view[0][0], self.s, iri, k)
elif (version == 'pR'):
with nogil:
qpms_scatsys_build_modeproblem_matrix_irrep_packed(&target_view[0][0], self.s, iri, k)
else:
qpms_scatsys_build_modeproblem_matrix_irrep_packed_serial(&target_view[0][0], self.s, iri, k)
return target
def translation_matrix_full(self, double k, J = QPMS_HANKEL_PLUS):
self.check_s()
cdef size_t flen = self.s[0].fecv_size
cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
(flen,flen),dtype=complex, order='C')
@ -465,6 +521,7 @@ cdef class ScatteringSystem:
return target
def translation_matrix_packed(self, double k, qpms_iri_t iri, J = QPMS_HANKEL_PLUS):
self.check_s()
cdef size_t rlen = self.saecv_sizes[iri]
cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
(rlen,rlen),dtype=complex, order='C')
@ -475,6 +532,7 @@ cdef class ScatteringSystem:
property fullvec_psizes:
def __get__(self):
self.check_s()
cdef np.ndarray[int32_t, ndim=1] ar = np.empty((self.s[0].p_count,), dtype=np.int32)
cdef int32_t[::1] ar_view = ar
for pi in range(self.s[0].p_count):
@ -484,6 +542,7 @@ cdef class ScatteringSystem:
property fullvec_poffsets:
def __get__(self):
self.check_s()
cdef np.ndarray[intptr_t, ndim=1] ar = np.empty((self.s[0].p_count,), dtype=np.intp)
cdef intptr_t[::1] ar_view = ar
cdef intptr_t offset = 0
@ -494,6 +553,7 @@ cdef class ScatteringSystem:
property positions:
def __get__(self):
self.check_s()
cdef np.ndarray[np.double_t, ndim=2] ar = np.empty((self.s[0].p_count, 3), dtype=float)
cdef np.double_t[:,::1] ar_view = ar
for pi in range(self.s[0].p_count):
@ -503,6 +563,7 @@ cdef class ScatteringSystem:
return ar
def planewave_full(self, k_cart, E_cart):
self.check_s()
k_cart = np.array(k_cart)
E_cart = np.array(E_cart)
if k_cart.shape != (3,) or E_cart.shape != (3,):
@ -522,7 +583,27 @@ cdef class ScatteringSystem:
self.s, qpms_incfield_planewave, <void *>&p, 0)
return target_np
cdef class _ScatteringSystemAtOmega:
'''
Wrapper over the C qpms_scatsys_at_omega_t structure
that keeps the T-matrix and background data evaluated
at specific frequency.
'''
cdef qpms_scatsys_at_omega_t *ssw
cdef ScatteringSystem ss_pyref
def check(self): # cdef instead?
if not self.ssw:
raise ValueError("_ScatteringSystemAtOmega's ssw-pointer not set. You must not use the default constructor; ScatteringSystem.create() instead")
self.ss_pyref.check_s()
#TODO is there a way to disable the constructor outside this module?
def __dealloc__(self):
if (self.ssw):
qpms_scatsys_at_omega_free(self.ssw)
def apply_Tmatrices_full(self, a):
self.check()
if len(a) != self.fecv_size:
raise ValueError("Length of a full vector has to be %d, not %d"
% (self.fecv_size, len(a)))
@ -531,41 +612,67 @@ cdef class ScatteringSystem:
cdef np.ndarray[np.complex_t, ndim=1] target_np = np.empty(
(self.fecv_size,), dtype=complex, order='C')
cdef cdouble[::1] target_view = target_np
qpms_scatsys_apply_Tmatrices_full(&target_view[0], &a_view[0], self.s)
qpms_scatsysw_apply_Tmatrices_full(&target_view[0], &a_view[0], self.ssw)
return target_np
cdef qpms_scatsys_t *rawpointer(self):
return self.s
cdef qpms_scatsys_at_omega_t *rawpointer(self):
return self.ssw
def scatter_solver(self, double k, iri=None):
return ScatteringMatrix(self, k, iri)
self.check()
return ScatteringMatrix(self, iri)
cdef class ScatteringSystemAtOmega:
'''
Wrapper over the C qpms_scatsys_at_omega_t structure
that keeps the T-matrix and background data evaluated
at specific frequency.
'''
cdef qpms_scatsys_at_omega_t ssw
property fecv_size:
def __get__(self): return self.ss_pyref.fecv_size
property saecv_sizes:
def __get__(self): return self.ss_pyref.saecv_sizes
property irrep_names:
def __get__(self): return self.ss_pyref.irrep_names
property nirreps:
def __get__(self): return self.ss_pyref.nirreps
def modeproblem_matrix_full(self):
self.check()
cdef size_t flen = self.s[0].fecv_size
cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
(flen,flen),dtype=complex, order='C')
cdef cdouble[:,::1] target_view = target
qpms_scatsysw_build_modeproblem_matrix_full(&target_view[0][0], self.ssw)
return target
def modeproblem_matrix_packed(self, qpms_iri_t iri, version='pR'):
self.check()
cdef size_t rlen = self.saecv_sizes[iri]
cdef np.ndarray[np.complex_t, ndim=2] target = np.empty(
(rlen,rlen),dtype=complex, order='C')
cdef cdouble[:,::1] target_view = target
if (version == 'R'):
qpms_scatsysw_build_modeproblem_matrix_irrep_packed_orbitorderR(&target_view[0][0], self.ssw, iri)
elif (version == 'pR'):
with nogil:
qpms_scatsysw_build_modeproblem_matrix_irrep_packed(&target_view[0][0], self.ssw, iri)
else:
qpms_scatsysw_build_modeproblem_matrix_irrep_packed_serial(&target_view[0][0], self.ssw, iri)
return target
pass #TODO
cdef class ScatteringMatrix:
'''
Wrapper over the C qpms_ss_LU structure that keeps the factorised mode problem matrix.
'''
cdef ScatteringSystem ss # Here we keep the reference to the parent scattering system
cdef _ScatteringSystemAtOmega ssw # Here we keep the reference to the parent scattering system
cdef qpms_ss_LU lu
def __cinit__(self, ScatteringSystem ss, double k, iri=None):
self.ss = ss
def __cinit__(self, _ScatteringSystemAtOmega ssw, iri=None):
ssw.check()
self.ssw = ssw
# TODO? pre-allocate the matrix with numpy to make it transparent?
if iri is None:
self.lu = qpms_scatsys_build_modeproblem_matrix_full_LU(
NULL, NULL, ss.rawpointer(), k)
self.lu = qpms_scatsysw_build_modeproblem_matrix_full_LU(
NULL, NULL, ssw.rawpointer())
else:
self.lu = qpms_scatsys_build_modeproblem_matrix_irrep_packed_LU(
NULL, NULL, ss.rawpointer(), iri, k)
self.lu = qpms_scatsysw_build_modeproblem_matrix_irrep_packed_LU(
NULL, NULL, ssw.rawpointer(), iri)
def __dealloc__(self):
qpms_ss_LU_free(self.lu)
@ -578,13 +685,13 @@ cdef class ScatteringMatrix:
cdef size_t vlen
cdef qpms_iri_t iri = -1;
if self.lu.full:
vlen = self.lu.ss[0].fecv_size
vlen = self.lu.ssw[0].ss[0].fecv_size
if len(a_inc) != vlen:
raise ValueError("Length of a full coefficient vector has to be %d, not %d"
% (vlen, len(a_inc)))
else:
iri = self.lu.iri
vlen = self.lu.ss[0].saecv_sizes[iri]
vlen = self.lu.ssw[0].ss[0].saecv_sizes[iri]
if len(a_inc) != vlen:
raise ValueError("Length of a %d. irrep packed coefficient vector has to be %d, not %d"
% (iri, vlen, len(a_inc)))

11
qpms/qpms_cdefs.pxd
View File

@ -151,10 +151,10 @@ 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":
cdef extern from "tolerances.h":
struct qpms_tolerance_spec_t:
pass # TODO
qpms_tolerance_spec_t QPMS_TOLERANCE_DEFAULT
const 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
@ -499,6 +499,7 @@ cdef extern from "tmatrices.h":
qpms_tmatrix_operation_kind_t typ
pass # TODO add the op union later if needed
const qpms_tmatrix_operation_t qpms_tmatrix_operation_noop
void qpms_tmatrix_operation_clear(qpms_tmatrix_operation_t *)
cdef extern from "pointgroups.h":
bint qpms_pg_is_finite_axial(qpms_pointgroup_class cls)
@ -519,7 +520,8 @@ cdef extern from "scatsystem.h":
void qpms_scatsystem_set_nthreads(long n)
struct qpms_particle_t:
cart3_t pos
const qpms_tmatrix_t *tmatrix
const qpms_tmatrix_function_t *tmg
qpms_tmatrix_operation_t op
struct qpms_particle_tid_t:
cart3_t pos
qpms_ss_tmi_t tmatrix_id
@ -530,7 +532,7 @@ cdef extern from "scatsystem.h":
qpms_epsmu_generator_t medium
qpms_tmatrix_function_t *tmg
qpms_ss_tmgi_t tmg_count
qpms_ss_derived_tmatrix_t **tm
qpms_ss_derived_tmatrix_t *tm
qpms_ss_tmi_t tm_count
qpms_particle_tid_t *p
qpms_ss_pi_t p_count
@ -549,6 +551,7 @@ cdef extern from "scatsystem.h":
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)
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_pack_matrix(cdouble *target_packed,
const cdouble *orig_full, const qpms_scatsys_t *ss, qpms_iri_t iri)

8
qpms/scatsystem.h
View File

@ -20,10 +20,13 @@
void qpms_scatsystem_set_nthreads(long n);
/// A particle, defined by its T-matrix and position.
/** This is rather only an auxillary intermediate structure to ultimately
* build an qpms_scatsys_t instance */
typedef struct qpms_particle_t {
// Does it make sense to ever use other than cartesian coords for this?
cart3_t pos; ///< Particle position in cartesian coordinates.
const qpms_tmatrix_t *tmatrix; ///< T-matrix; not owned by qpms_particle_t.
const qpms_tmatrix_function_t *tmg; ///< T-matrix function; not owned by qpms_particle_t.
qpms_tmatrix_operation_t op; ///< T-matrix transformation operation w.r.t. \a tmg.
} qpms_particle_t;
struct qpms_finite_group_t;
@ -123,7 +126,7 @@ typedef struct qpms_ss_particle_orbitinfo {
} qpms_ss_particle_orbitinfo_t;
/// Auxillary type used in qpms_scatsys_t: A recepy to create another T-matrices by symmetry operations.
typedef struct qpms_ss_derived_tmatrix {
typedef struct qpms_ss_derived_tmatrix_t {
qpms_ss_tmgi_t tmgi; ///< Index of the corresponding qpms_scatsys_t::tm element.
struct qpms_tmatrix_operation_t op; ///< Operation to derive this particular T-matrix.
} qpms_ss_derived_tmatrix_t;
@ -216,6 +219,7 @@ typedef struct qpms_scatsys_at_omega_t {
* The following fields must be filled in the "proto- scattering system" \a orig:
* * orig->medium – The pointer is copied to the new qpms_scatsys_t instance;
* the target qpms_abstract_tmatrix_t objects must be kept alive before all the resulting
* qpms_scatsys_t instances are properly destroyed.
* * orig->tmg – The pointers are copied to the new qpms_scatsys_t instance;
* the target qpms_abstract_tmatrix_t objects must be kept alive before all the resulting
* qpms_scatsys_t instances are properly destroyed. The pointers from orig->tmg, however, are copied.