Move t-matrix op related stuff qpms_p.py->tmatrices.py

Former-commit-id: 4179c6e8fa960ade08ccac85e035bdc6a9bd16c0
This commit is contained in:
Marek Nečada 2017-07-12 07:21:49 +03:00
parent cc4815b861
commit 3b6304b348
2 changed files with 241 additions and 260 deletions

View File

@ -8,7 +8,6 @@ from scipy.special import lpmn, lpmv, sph_jn, sph_yn, poch, gammaln
from scipy.misc import factorial from scipy.misc import factorial
import math import math
import cmath import cmath
import quaternion, spherical_functions as sf # because of the Wigner matrices. There imports are SLOW.
""" """
''' '''
@ -719,262 +718,3 @@ def G0_sum_1_slow(source_cart, dest_cart, k, nmax):
return G_Mie_scat_precalc_cart(source_cart, dest_cart, RH, RV, a=0.001, nmax=nmax, k_i=1, k_e=k, μ_i=1, μ_e=1, J_ext=1, J_scat=3) return G_Mie_scat_precalc_cart(source_cart, dest_cart, RH, RV, a=0.001, nmax=nmax, k_i=1, k_e=k, μ_i=1, μ_e=1, J_ext=1, J_scat=3)
# Transformations of spherical bases
#@jit
def WignerD_mm(l, quat):
"""
Calculates Wigner D matrix (as an numpy (2*l+1,2*l+1)-shaped array)
for order l, and a rotation given by quaternion quat.
This represents the rotation of spherical vector basis
TODO doc
"""
indices = np.array([ [l,i,j] for i in range(-l,l+1) for j in range(-l,l+1)])
Delems = sf.Wigner_D_element(quat, indices).reshape(2*l+1,2*l+1)
return Delems
#@jit
def WignerD_mm_fromvector(l, vect):
"""
TODO doc
"""
return WignerD_mm(l, quaternion.from_rotation_vector(vect))
#@jit
def WignerD_yy(lmax, quat):
"""
TODO doc
"""
my, ny = get_mn_y(lmax)
Delems = np.zeros((len(my),len(my)),dtype=complex)
b_in = 0
e_in = None
for l in range(1,lmax+1):
e_in = b_in + 2*l+1
Delems[b_in:e_in,b_in:e_in] = WignerD_mm(l, quat)
b_in = e_in
return Delems
#@jit
def WignerD_yy_fromvector(lmax, vect):
"""
TODO doc
"""
return WignerD_yy(lmax, quaternion.from_rotation_vector(vect))
#@jit
def xflip_yy(lmax):
"""
TODO doc
xflip = δ(m + m') δ(l - l')
(i.e. ones on the (m' m) antidiagonal
"""
my, ny = get_mn_y(lmax)
elems = np.zeros((len(my),len(my)),dtype=int)
b_in = 0
e_in = None
for l in range(1,lmax+1):
e_in = b_in + 2*l+1
elems[b_in:e_in,b_in:e_in] = np.eye(2*l+1)[::-1,:]
b_in = e_in
return elems
#@jit
def xflip_tyy(lmax):
fl_yy = xflip_yy(lmax)
return np.array([fl_yy,-fl_yy])
#@jit
def xflip_tyty(lmax):
fl_yy = xflip_yy(lmax)
nelem = fl_yy.shape[0]
fl_tyty = np.zeros((2,nelem,2,nelem),dtype=int)
fl_tyty[0,:,0,:] = fl_yy
fl_tyty[1,:,1,:] = -fl_yy
return fl_tyty
#@jit
def yflip_yy(lmax):
"""
TODO doc
yflip = rot(z,pi/2) * xflip * rot(z,-pi/2)
= δ(m + m') δ(l - l') * (-1)**m
"""
my, ny = get_mn_y(lmax)
elems = xflip_yy(lmax)
elems[(my % 2)==1] = elems[(my % 2)==1] * -1 # Obvious sign of tiredness (this is correct but ugly; FIXME)
return elems
#@jit
def yflip_tyy(lmax):
fl_yy = yflip_yy(lmax)
return np.array([fl_yy,-fl_yy])
#@jit
def yflip_tyty(lmax):
fl_yy = yflip_yy(lmax)
nelem = fl_yy.shape[0]
fl_tyty = np.zeros((2,nelem,2,nelem),dtype=int)
fl_tyty[0,:,0,:] = fl_yy
fl_tyty[1,:,1,:] = -fl_yy
return fl_tyty
#@jit
def zflip_yy(lmax):
"""
TODO doc
zflip = (-1)^(l+m)
"""
my, ny = get_mn_y(lmax)
elems = np.zeros((len(my), len(my)), dtype=int)
b_in = 0
e_in = None
for l in range(1,lmax+1):
e_in = b_in + 2*l+1
elems[b_in:e_in,b_in:e_in] = np.diag([(-1)**i for i in range(e_in-b_in)])
b_in = e_in
return elems
#@jit
def zflip_tyy(lmax):
fl_yy = zflip_yy(lmax)
return np.array([fl_yy,-fl_yy])
#@jit
def zflip_tyty(lmax):
fl_yy = zflip_yy(lmax)
nelem = fl_yy.shape[0]
fl_tyty = np.zeros((2,nelem,2,nelem),dtype=int)
fl_tyty[0,:,0,:] = fl_yy
fl_tyty[1,:,1,:] = -fl_yy
return fl_tyty
#@jit
def parity_yy(lmax):
"""
Parity operator (flip in x,y,z)
parity = (-1)**l
"""
my, ny = get_mn_y(lmax)
return np.diag((-1)**ny)
# BTW parity (xyz-flip) is simply (-1)**ny
#----------------------------------------------------#
# Loading T-matrices from scuff-tmatrix output files #
#----------------------------------------------------#
# We don't really need this particular function anymore, but...
#@jit
def _scuffTMatrixConvert_EM_01(EM):
#print(EM)
if (EM == b'E'):
return 0
elif (EM == b'M'):
return 1
else:
return None
#@ujit
def loadScuffTMatrices(fileName):
"""
TODO doc
"""
μm = 1e-6
table = np.genfromtxt(fileName,
converters={1: _scuffTMatrixConvert_EM_01, 4: _scuffTMatrixConvert_EM_01},
dtype=[('freq', '<f8'), ('outc_type', '<i8'), ('outc_l', '<i8'), ('outc_m', '<i8'),
('inc_type', '<i8'), ('inc_l', '<i8'), ('inc_m', '<i8'), ('Treal', '<f8'), ('Timag', '<f8')]
)
lMax=np.max(table['outc_l'])
my,ny = get_mn_y(lMax)
nelem = len(ny)
TMatrix_sz = nelem**2 * 4 # number of rows for each frequency: nelem * nelem spherical incides, 2 * 2 E/M types
freqs_weirdunits = table['freq'][::TMatrix_sz].copy()
freqs = freqs_weirdunits * c / μm
# The iteration in the TMatrix file goes in this order (the last one iterates fastest, i.e. in the innermost loop):
# freq outc_l outc_m outc_type inc_l inc_m inc_type
# The l,m mapping is the same as is given by my get_mn_y function, so no need to touch that
TMatrices_tmp_real = table['Treal'].reshape(len(freqs), nelem, 2, nelem, 2)
TMatrices_tmp_imag = table['Timag'].reshape(len(freqs), nelem, 2, nelem, 2)
# There are two přoblems with the previous matrices. First, we want to have the
# type indices first, so we want a shape (len(freqs), 2, nelem, 2, nelem) as in the older code.
# Second, M-waves come first, so they have now 0-valued index, and E-waves have 1-valued index,
# which we want to be inverted.
TMatrices = np.zeros((len(freqs),2,nelem,2,nelem),dtype=complex)
for inc_type in [0,1]:
for outc_type in [0,1]:
TMatrices[:,1-outc_type,:,1-inc_type,:] = TMatrices_tmp_real[:,:,outc_type,:,inc_type]+1j*TMatrices_tmp_imag[:,:,outc_type,:,inc_type]
# IMPORTANT: now we are going from Reid's/Kristensson's/Jackson's/whoseever convention to Taylor's convention
TMatrices[:,:,:,:,:] = TMatrices[:,:,:,:,:] * np.sqrt(ny*(ny+1))[ň,ň,ň,ň,:] / np.sqrt(ny*(ny+1))[ň,ň,:,ň,ň]
return (TMatrices, freqs, freqs_weirdunits, lMax)
# misc tensor maniputalion
#@jit
def apply_matrix_left(matrix, tensor, axis):
"""
TODO doc
Apply square matrix to a given axis of a tensor, so that the result retains the shape
of the original tensor. The summation goes over the second index of the matrix and the
given tensor axis.
"""
tmp = np.tensordot(matrix, tensor, axes=(-1,axis))
return np.moveaxis(tmp, 0, axis)
#@jit
def apply_ndmatrix_left(matrix,tensor,axes):
"""
Generalized apply_matrix_left, the matrix can have more (2N) abstract dimensions,
like M[i,j,k,...z,i,j,k,...,z]. N axes have to be specified in a tuple, corresponding
to the axes 0,1,...N-1 of the matrix
"""
N = len(axes)
matrix = np.tensordot(matrix, tensor, axes=([-N+axn for axn in range(N)],axes))
matrix = np.moveaxis(matrix, range(N), axes)
return matrix
def symz_indexarrays(lMax, npart = 1):
"""
Returns indices that are used for separating the in-plane E ('TE' in the photonic crystal
jargon) and perpendicular E ('TM' in the photonic crystal jargon) modes
in the z-mirror symmetric systems.
Parameters
----------
lMax : int
The maximum degree cutoff for the T-matrix to which these indices will be applied.
npart : int
Number of particles (TODO better description)
Returns
-------
TEč, TMč : (npart * 2 * nelem)-shaped bool ndarray
Mask arrays corresponding to the 'TE' and 'TM' modes, respectively.
"""
my, ny = get_mn_y(lMax)
nelem = len(my)
ž = np.arange(2*nelem) # single particle spherical wave indices
= ž // nelem # tž == 0: electric waves, tž == 1: magnetic waves
= my[ž%nelem]
= ny[ž%nelem]
TEž = ž[(++) % 2 == 0]
TMž = ž[(++) % 2 == 1]
č = np.arange(npart*2*nelem) # spherical wave indices for multiple particles (e.g. in a unit cell)
žč = č % (2* nelem)
= [žč]
= [žč]
= [žč]
TEč = č[(++) % 2 == 0]
TMč = č[(++) % 2 == 1]
return (TEč, TMč)

241
qpms/tmatrices.py Normal file
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@ -0,0 +1,241 @@
import numpy as np
import quaternion, spherical_functions as sf # because of the Wigner matrices. These imports are SLOW.
# Transformations of spherical bases
def WignerD_mm(l, quat):
"""
Calculates Wigner D matrix (as an numpy (2*l+1,2*l+1)-shaped array)
for order l, and a rotation given by quaternion quat.
This represents the rotation of spherical vector basis
TODO doc
"""
indices = np.array([ [l,i,j] for i in range(-l,l+1) for j in range(-l,l+1)])
Delems = sf.Wigner_D_element(quat, indices).reshape(2*l+1,2*l+1)
return Delems
def WignerD_mm_fromvector(l, vect):
"""
TODO doc
"""
return WignerD_mm(l, quaternion.from_rotation_vector(vect))
def WignerD_yy(lmax, quat):
"""
TODO doc
"""
my, ny = get_mn_y(lmax)
Delems = np.zeros((len(my),len(my)),dtype=complex)
b_in = 0
e_in = None
for l in range(1,lmax+1):
e_in = b_in + 2*l+1
Delems[b_in:e_in,b_in:e_in] = WignerD_mm(l, quat)
b_in = e_in
return Delems
def WignerD_yy_fromvector(lmax, vect):
"""
TODO doc
"""
return WignerD_yy(lmax, quaternion.from_rotation_vector(vect))
def xflip_yy(lmax):
"""
TODO doc
xflip = δ(m + m') δ(l - l')
(i.e. ones on the (m' m) antidiagonal
"""
my, ny = get_mn_y(lmax)
elems = np.zeros((len(my),len(my)),dtype=int)
b_in = 0
e_in = None
for l in range(1,lmax+1):
e_in = b_in + 2*l+1
elems[b_in:e_in,b_in:e_in] = np.eye(2*l+1)[::-1,:]
b_in = e_in
return elems
def xflip_tyy(lmax):
fl_yy = xflip_yy(lmax)
return np.array([fl_yy,-fl_yy])
def xflip_tyty(lmax):
fl_yy = xflip_yy(lmax)
nelem = fl_yy.shape[0]
fl_tyty = np.zeros((2,nelem,2,nelem),dtype=int)
fl_tyty[0,:,0,:] = fl_yy
fl_tyty[1,:,1,:] = -fl_yy
return fl_tyty
def yflip_yy(lmax):
"""
TODO doc
yflip = rot(z,pi/2) * xflip * rot(z,-pi/2)
= δ(m + m') δ(l - l') * (-1)**m
"""
my, ny = get_mn_y(lmax)
elems = xflip_yy(lmax)
elems[(my % 2)==1] = elems[(my % 2)==1] * -1 # Obvious sign of tiredness (this is correct but ugly; FIXME)
return elems
def yflip_tyy(lmax):
fl_yy = yflip_yy(lmax)
return np.array([fl_yy,-fl_yy])
def yflip_tyty(lmax):
fl_yy = yflip_yy(lmax)
nelem = fl_yy.shape[0]
fl_tyty = np.zeros((2,nelem,2,nelem),dtype=int)
fl_tyty[0,:,0,:] = fl_yy
fl_tyty[1,:,1,:] = -fl_yy
return fl_tyty
def zflip_yy(lmax):
"""
TODO doc
zflip = (-1)^(l+m)
"""
my, ny = get_mn_y(lmax)
elems = np.zeros((len(my), len(my)), dtype=int)
b_in = 0
e_in = None
for l in range(1,lmax+1):
e_in = b_in + 2*l+1
elems[b_in:e_in,b_in:e_in] = np.diag([(-1)**i for i in range(e_in-b_in)])
b_in = e_in
return elems
def zflip_tyy(lmax):
fl_yy = zflip_yy(lmax)
return np.array([fl_yy,-fl_yy])
def zflip_tyty(lmax):
fl_yy = zflip_yy(lmax)
nelem = fl_yy.shape[0]
fl_tyty = np.zeros((2,nelem,2,nelem),dtype=int)
fl_tyty[0,:,0,:] = fl_yy
fl_tyty[1,:,1,:] = -fl_yy
return fl_tyty
def parity_yy(lmax):
"""
Parity operator (flip in x,y,z)
parity = (-1)**l
"""
my, ny = get_mn_y(lmax)
return np.diag((-1)**ny)
# BTW parity (xyz-flip) is simply (-1)**ny
#----------------------------------------------------#
# Loading T-matrices from scuff-tmatrix output files #
#----------------------------------------------------#
# We don't really need this particular function anymore, but...
def _scuffTMatrixConvert_EM_01(EM):
#print(EM)
if (EM == b'E'):
return 0
elif (EM == b'M'):
return 1
else:
return None
def loadScuffTMatrices(fileName):
"""
TODO doc
"""
μm = 1e-6
table = np.genfromtxt(fileName,
converters={1: _scuffTMatrixConvert_EM_01, 4: _scuffTMatrixConvert_EM_01},
dtype=[('freq', '<f8'), ('outc_type', '<i8'), ('outc_l', '<i8'), ('outc_m', '<i8'),
('inc_type', '<i8'), ('inc_l', '<i8'), ('inc_m', '<i8'), ('Treal', '<f8'), ('Timag', '<f8')]
)
lMax=np.max(table['outc_l'])
my,ny = get_mn_y(lMax)
nelem = len(ny)
TMatrix_sz = nelem**2 * 4 # number of rows for each frequency: nelem * nelem spherical incides, 2 * 2 E/M types
freqs_weirdunits = table['freq'][::TMatrix_sz].copy()
freqs = freqs_weirdunits * c / μm
# The iteration in the TMatrix file goes in this order (the last one iterates fastest, i.e. in the innermost loop):
# freq outc_l outc_m outc_type inc_l inc_m inc_type
# The l,m mapping is the same as is given by my get_mn_y function, so no need to touch that
TMatrices_tmp_real = table['Treal'].reshape(len(freqs), nelem, 2, nelem, 2)
TMatrices_tmp_imag = table['Timag'].reshape(len(freqs), nelem, 2, nelem, 2)
# There are two přoblems with the previous matrices. First, we want to have the
# type indices first, so we want a shape (len(freqs), 2, nelem, 2, nelem) as in the older code.
# Second, M-waves come first, so they have now 0-valued index, and E-waves have 1-valued index,
# which we want to be inverted.
TMatrices = np.zeros((len(freqs),2,nelem,2,nelem),dtype=complex)
for inc_type in [0,1]:
for outc_type in [0,1]:
TMatrices[:,1-outc_type,:,1-inc_type,:] = TMatrices_tmp_real[:,:,outc_type,:,inc_type]+1j*TMatrices_tmp_imag[:,:,outc_type,:,inc_type]
# IMPORTANT: now we are going from Reid's/Kristensson's/Jackson's/whoseever convention to Taylor's convention
TMatrices[:,:,:,:,:] = TMatrices[:,:,:,:,:] * np.sqrt(ny*(ny+1))[ň,ň,ň,ň,:] / np.sqrt(ny*(ny+1))[ň,ň,:,ň,ň]
return (TMatrices, freqs, freqs_weirdunits, lMax)
# misc tensor maniputalion
def apply_matrix_left(matrix, tensor, axis):
"""
TODO doc
Apply square matrix to a given axis of a tensor, so that the result retains the shape
of the original tensor. The summation goes over the second index of the matrix and the
given tensor axis.
"""
tmp = np.tensordot(matrix, tensor, axes=(-1,axis))
return np.moveaxis(tmp, 0, axis)
def apply_ndmatrix_left(matrix,tensor,axes):
"""
Generalized apply_matrix_left, the matrix can have more (2N) abstract dimensions,
like M[i,j,k,...z,i,j,k,...,z]. N axes have to be specified in a tuple, corresponding
to the axes 0,1,...N-1 of the matrix
"""
N = len(axes)
matrix = np.tensordot(matrix, tensor, axes=([-N+axn for axn in range(N)],axes))
matrix = np.moveaxis(matrix, range(N), axes)
return matrix
def symz_indexarrays(lMax, npart = 1):
"""
Returns indices that are used for separating the in-plane E ('TE' in the photonic crystal
jargon) and perpendicular E ('TM' in the photonic crystal jargon) modes
in the z-mirror symmetric systems.
Parameters
----------
lMax : int
The maximum degree cutoff for the T-matrix to which these indices will be applied.
npart : int
Number of particles (TODO better description)
Returns
-------
TEč, TMč : (npart * 2 * nelem)-shaped bool ndarray
Mask arrays corresponding to the 'TE' and 'TM' modes, respectively.
"""
my, ny = get_mn_y(lMax)
nelem = len(my)
ž = np.arange(2*nelem) # single particle spherical wave indices
= ž // nelem # tž == 0: electric waves, tž == 1: magnetic waves
= my[ž%nelem]
= ny[ž%nelem]
TEž = ž[(++) % 2 == 0]
TMž = ž[(++) % 2 == 1]
č = np.arange(npart*2*nelem) # spherical wave indices for multiple particles (e.g. in a unit cell)
žč = č % (2* nelem)
= [žč]
= [žč]
= [žč]
TEč = č[(++) % 2 == 0]
TMč = č[(++) % 2 == 1]
return (TEč, TMč)