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ss matrix projections and unpacking (Broken) 

Former-commit-id: 58ed4c05f8b042feb896d5dd49f5d3a5616e979f
This commit is contained in:
Marek Nečada 2019-03-08 13:39:37 +00:00
parent fd13756b86
commit 5f3759bdb3
3 changed files with 70 additions and 17 deletions
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56
qpms/qpms_c.pyx
View File

@ -1392,31 +1392,73 @@ cdef class ScatteringSystem:
property fecv_size:
def __get__(self): return self.s[0].fecv_size
property saecv_sizes:
def __get__(self): return [self.s[0].saecv_sizes[i] for i in range(self.s[0].sym[0].nirreps)]
def __get__(self):
return [self.s[0].saecv_sizes[i]
for i in range(self.s[0].sym[0].nirreps)]
property irrep_names:
def __get__(self):
return [string_c2py(self.s[0].sym[0].irreps[iri].name) if (self.s[0].sym[0].irreps[iri].name) else None
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 pack_vector(self, vect, iri):
if len(vect) != self.fecv_size: raise ValueError("Length of a full vector has to be %d, not %d" % (self.fecv_size, len(vect)))
if len(vect) != self.fecv_size:
raise ValueError("Length of a full vector has to be %d, not %d"
% (self.fecv_size, len(vect)))
vect = np.array(vect, dtype=complex, copy=False, order='C')
cdef cdouble[::1] vect_view = vect;
cdef np.ndarray[np.complex_t, ndim=1] target_np = np.empty((self.saecv_sizes[iri],), dtype=complex)
cdef np.ndarray[np.complex_t, ndim=1] target_np = np.empty(
(self.saecv_sizes[iri],), dtype=complex, order='C')
cdef cdouble[::1] target_view = target_np
qpms_scatsys_irrep_pack_vector(&target_view[0], &vect_view[0], self.s, iri)
return target_np
def unpack_vector(self, packed, iri):
if len(packed) != self.saecv_sizes[iri]: raise ValueError("Length of %d. irrep-packed vector has to be %d, not %d"
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)))
packed = np.array(packed, dtype=complex, copy=False, order='C')
cdef cdouble[::1] packed_view = packed
cdef np.ndarray[np.complex_t, ndim=1] target_np = np.empty((self.fecv_size,), dtype=complex)
cdef np.ndarray[np.complex_t, ndim=1] target_np = np.empty(
(self.fecv_size,), dtype=complex)
cdef cdouble[::1] target_view = target_np
qpms_scatsys_irrep_unpack_vector(&target_view[0], &packed_view[0], self.s, iri, 0)
qpms_scatsys_irrep_unpack_vector(&target_view[0], &packed_view[0],
self.s, iri, 0)
return target_np
def pack_matrix(self, fullmatrix, iri):
(iri < self.nirreps)
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')
if fullmatrix.shape != (flen, flen):
raise ValueError("Full matrix shape should be (%d,%d), is %s."
% (flen, flen, repr(fullmatrix.shape)))
cdef cdouble[:,::1] fullmatrix_view = fullmatrix
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],
self.s, iri)
return target_np
def unpack_matrix(self, packedmatrix, iri):
(iri < self.nirreps)
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')
if packedmatrix.shape != (rlen, rlen):
raise ValueError("Packed matrix shape should be (%d,%d), is %s."
% (rlen, rlen, repr(packedmatrix.shape)))
cdef cdouble[:,::1] packedmatrix_view = packedmatrix
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],
self.s, iri, 0)
return target_np
def tlm2uvswfi(t, l, m):
''' TODO doc

19
qpms/scatsystem.c
View File

@ -926,7 +926,7 @@ complex double *qpms_scatsys_irrep_unpack_matrix(complex double *target_full,
cblas_zgemm(CblasRowMajor, CblasConjTrans, CblasNoTrans,
particle_fullsizeR /*M*/, particle_fullsizeC /*N*/, orbit_packedsizeR /*K*/,
&one /*alpha*/, omR + full_len*packed_orbit_offsetR + fullvec_offsetR/*A*/,
full_len/*ldA*/,
packed_len/*ldA*/,
tmp /*B*/, orbit_packedsizeR /*ldB*/, &one /*beta*/,
target_full + full_len*fullvec_offsetR + fullvec_offsetC /*C*/,
full_len /*ldC*/);
@ -969,10 +969,11 @@ complex double *qpms_scatsys_irrep_pack_vector(complex double *target_packed,
// This is the orbit-level matrix projecting the whole orbit onto the irrep.
const complex double *om = ot->irbases + ot->irbase_offsets[iri];
cblas_zgemv(CblasRowMajor, CblasNoTrans,
orbit_packedsize, particle_fullsize, &one, om + opi*particle_fullsize, orbit_fullsize,
orig_full+fullvec_offset, 1,
&one, target_packed+packed_orbit_offset, 1);
cblas_zgemv(CblasRowMajor/*order*/, CblasNoTrans/*transA*/,
orbit_packedsize/*M*/, particle_fullsize/*N*/, &one/*alpha*/,
om + opi*particle_fullsize/*A*/, orbit_fullsize/*lda*/,
orig_full+fullvec_offset/*X*/, 1/*incX*/,
&one/*beta*/, target_packed+packed_orbit_offset/*Y*/, 1/*incY*/);
fullvec_offset += ot->bspecn;
}
@ -1008,10 +1009,10 @@ complex double *qpms_scatsys_irrep_unpack_vector(complex double *target_full,
// This is the orbit-level matrix projecting the whole orbit onto the irrep.
const complex double *om = ot->irbases + ot->irbase_offsets[iri];
cblas_zgemv(CblasRowMajor, CblasConjTrans,
orbit_packedsize, particle_fullsize, &one, om + opi*particle_fullsize, orbit_fullsize,
orig_packed+packed_orbit_offset, 1,
&one, target_full+fullvec_offset, 1);
cblas_zgemv(CblasRowMajor/*order*/, CblasConjTrans/*transA*/,
orbit_packedsize/*M*/, particle_fullsize/*N*/, &one/*alpha*/, om + opi*particle_fullsize/*A*/,
orbit_fullsize/*lda*/, orig_packed+packed_orbit_offset /*X*/, 1/*incX*/, &one/*beta*/,
target_full+fullvec_offset/*Y*/, 1/*incY*/);
fullvec_offset += ot->bspecn;
}

10
tests/scatsys.py
View File

@ -20,3 +20,13 @@ unpackedvectors = np.array([ss.unpack_vector(v[1], v[0]) for v in packedvectors]
rec_fullvector = np.sum(unpackedvectors, axis=0)
thediff = np.amax(abs(rec_fullvector-fullvector))
assert(thediff < 1e-14)
packedmatrices = list()
for iri in range(ss.nirreps):
d = ss.saecv_sizes[iri]
m = np.random.rand(d,d)+1j*np.random.rand(d,d)
packedmatrices.append((iri,m))
fullmatrix = np.zeros((ss.fecv_size, ss.fecv_size), dtype=complex)
for iri, m in packedmatrices:
fullmatrix += ss.unpack_matrix(m, iri)