qpms/tests/scatsys.py

48 lines
1.7 KiB
Python

from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem
from qpms.symmetries import point_group_info
import numpy as np
np.random.seed(444)
sym = FinitePointGroup(point_group_info['D3h'])
bspec2 = BaseSpec(lMax=2)
bspec1 = BaseSpec(lMax=1)
t1 = CTMatrix(bspec1, np.diag(np.random.random(len(bspec1))))
t2 = CTMatrix(bspec2, np.diag(np.random.random(len(bspec2))))
p1 = Particle((1,2,),t1)
p2 = Particle((1,2,3),t1)
p3 = Particle((0.1,2),t2)
ss = ScatteringSystem([p1, p2, p3], sym)
#print(ss.fecv_size, ss.saecv_sizes, ss.nirreps, ss.nirrep_names)
fullvector = np.random.rand(ss.fecv_size) + 1j*np.random.rand(ss.fecv_size)
packedvectors = [(iri, ss.pack_vector(fullvector, iri)) for iri in range(ss.nirreps)]
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-8)
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)
for iri, m in packedmatrices:
print (m.shape)
repackedmatrix = ss.pack_matrix(fullmatrix,iri)
print(np.amax(abs(repackedmatrix-m)))
k = 1.7
modematrix_full = ss.modeproblem_matrix_full(k)
modematrix_packed_list = [(iri, ss.pack_matrix(modematrix_full,iri)) for iri in range(ss.nirreps)]
modematrix_full_rec = np.empty((ss.fecv_size, ss.fecv_size), dtype=complex)
for iri, m in modematrix_packed_list:
modematrix_full_rec += ss.unpack_matrix(m,iri)
print(np.amax(abs(modematrix_full-modematrix_full_rec)))