Cleanup of legacy files.

This commit is contained in:
Marek Nečada 2020-06-29 09:29:40 +03:00
parent e0861a7d40
commit 7d92f4990b
9 changed files with 16 additions and 2210 deletions

View File

@ -1,588 +0,0 @@
import math
import numpy as np
nx = None
_s3 = math.sqrt(3)
def generate_trianglepoints(maxlayer, include_origin = False, v3d = True, circular = True, sixthindices = False, mirrorindices = False):
_e6 = np.array([[math.cos(2*math.pi*i/6),math.sin(2*math.pi*i/6),0] if v3d else [math.cos(2*math.pi*i/6),math.sin(2*math.pi*i/6)] for i in range(6)])
points = np.empty((3*maxlayer*(maxlayer+1)+(1 if include_origin else 0), 3 if v3d else 2))
point_i = 0
if (include_origin):
points[0] = np.array((0,0,0) if v3d else (0,0))
point_i = 1
if sixthindices:
si = np.empty((6,(maxlayer*(maxlayer+1))//2), dtype=int)
sii = [0,0,0,0,0,0]
if mirrorindices:
if(maxlayer < 3):
mi = np.empty((2,0,), dtype=int)
else:
#layer indices start from one!
ilayer = np.arange(1, maxlayer+1) # We need first to "copy" layer indices to correspond to the Muster count
mustercount = (ilayer - 1)//2
mustercum = np.cumsum(mustercount)
layerstart = np.zeros((mustercum[maxlayer - 1]), dtype=int)
layerstart[mustercum[:(maxlayer-1)]] = 1
layer = np.cumsum(layerstart) + 2 # That's it
lb = 3*layer*(layer-1) # layer base (lowest) index
li = np.arange(len(layer)) - mustercum[layer-2] # muster indices for each layers
mi = np.empty((2, len(layer)), dtype=int)
mi[0] = lb + 1 + li + include_origin
mi[1] = lb + layer - (1 + li) + include_origin
# there are two non-musters in each even layer, one non-muster in each odd
layer = (2*np.arange(((3*maxlayer)//2))+1)//3 + 1
nmi = 3*layer*(layer-1)
nmi[2::3] += layer[2::3] // 2 # second non-musters in even layers
nmi += include_origin
for layer in range(1,maxlayer+1):
for i in range(6):
base = _e6[i]*layer
shift = _e6[(i+2)%6]
ar = np.arange(layer)
points[point_i:(point_i+layer)] = base[nx,:] + ar[:,nx] * shift[nx,:]
if sixthindices:
si[i, sii[i]:sii[i]+layer] = point_i + ar
sii[i] += layer
point_i += layer
if (circular):
mask = (np.sum(points * points, axis = -1) <= maxlayer * maxlayer * 3/ 4 + 0.1) # UGLY FIX OF ASYMMETRY BECAUSE OF ROUNDING ERROR
points = points[mask]
if sixthindices:
cum = np.cumsum(mask) - 1
mask0 = mask[si[0]]
si_ = si[:,mask0]
si = cum[si_]
if mirrorindices:
cum = np.cumsum(mask) - 1
mask0 = mask[mi[0]]
mi_ = mi[:,mask0]
mi = cum[mi_]
mask0 = mask[nmi]
nmi_ = nmi[mask0]
nmi = cum[nmi_]
if not (mirrorindices or sixthindices):
return points
else:
return {'points': points,
'si' : si if sixthindices else None,
'mi' : mi if mirrorindices else None,
'nmi' : nmi if mirrorindices else None}
def generate_trianglepoints_hexcomplement(maxlayer, v3d = True, circular = True, thirdindices = False, mirrorindices=False):
_e6 = np.array([[math.cos(2*math.pi*i/6),math.sin(2*math.pi*i/6),0] if v3d else [math.cos(2*math.pi*i/6),math.sin(2*math.pi*i/6)] for i in range(6)])
_f6 = np.array([[-math.sin(2*math.pi*i/6),math.cos(2*math.pi*i/6),0] if v3d else [math.sin(2*math.pi*i/6),-math.cos(2*math.pi*i/6)] for i in range(6)])
points = np.empty((3*maxlayer*maxlayer, 3 if v3d else 2))
point_i = 0
# 3 * layer ** 2 is the basis index for a layer, a layer contains 3 * (2*layer + 1) points
if thirdindices:
ii = np.arange(maxlayer**2)
layer = np.empty((maxlayer**2), dtype=int)
layer = np.sqrt(ii, out=layer, casting='unsafe')
#ti0 = 2*layer**2 + ii
ti = np.arange(3)[:, nx] * (2*layer + 1)[nx, :] + (2*layer**2 + ii)[nx,:]
if mirrorindices:
ii = np.arange(((maxlayer-1)*maxlayer)//2)
layer = np.empty((((maxlayer-1)*maxlayer)//2), dtype=int)
layer = (np.sqrt(1+8*ii, out=layer, casting='unsafe')+1)//2
li = ii - ((layer ) * (layer-1))//2# numbers indices in a each layer
lb = 3*layer **2 # base index of a layer
mi = np.empty((2,len(layer)), dtype=int)
mi[0] = lb + li + layer % 2
mi[1] = lb + 2*layer - li
# indices of non-mirrored/self-mirrored
layer = np.arange(maxlayer)
lb = 3 * layer**2
nmi = lb + ((layer + 1) % 2) * layer
for layer in range(0,maxlayer):
if (layer % 2): # odd layer
for i in range(3):
base = _f6[(2*i-1)%6] * ((0.5 + 1.5 * layer) / _s3)
shift = _e6[(2*i+2)%6]
count = (layer + 1) // 2
ar = np.arange(count)
points[point_i:point_i+count,:] = base + ar[:,nx]*shift[nx,:]
point_i += count
base = _e6[(2*i+1)%6]*layer + _f6[(2*i)%6] / _s3
shift = _e6[(2*i+3)%6]
count = layer
ar = np.arange(count)
points[point_i:point_i+count,:] = base + ar[:,nx]*shift[nx,:]
point_i += count
base = _e6[(2*i+2)%6]*layer + _f6[(2*i)%6] / _s3
shift = _e6[(2*i+4)%6]
count = (layer + 1) // 2
ar = np.arange(count)
points[point_i:point_i+count,:] = base + ar[:,nx]*shift[nx,:]
point_i += count
else: # even layer:
for i in range(3):
shift = _e6[(2*i+2)%6]
base = _f6[(2*i-1)%6] * ((0.5 + 1.5 * layer) / _s3) + shift / 2
count = layer // 2
ar = np.arange(count)
points[point_i:point_i+count,:] = base + ar[:,nx]*shift[nx,:]
point_i += count
base = _e6[(2*i+1)%6]*layer + _f6[(2*i)%6] / _s3
shift = _e6[(2*i+3)%6]
count = layer
ar = np.arange(count)
points[point_i:point_i+count,:] = base + ar[:,nx]*shift[nx,:]
point_i += count
base = _e6[(2*i+2)%6]*layer + _f6[(2*i)%6] / _s3
shift = _e6[(2*i+4)%6]
count = (layer + 2) // 2
ar = np.arange(count)
points[point_i:point_i+count,:] = base + ar[:,nx]*shift[nx,:]
point_i += count
#if (mirrorindices):
if (circular):
mask = (np.sum(points * points, axis = -1) <= maxlayer * maxlayer * 3/ 4 + 0.01) # UGLY FIX OF ASYMMETRY BECAUSE OF ROUNDING ERROR
points = points[mask]
if thirdindices:
cum = np.cumsum(mask) - 1
mask0 = mask[ti[0]]
ti_ = ti[:,mask0]
ti = cum[ti_]
if mirrorindices:
cum = np.cumsum(mask) - 1
mask0 = mask[mi[0]]
mi_ = mi[:,mask0]
mi = cum[mi_]
mask0 = mask[nmi]
nmi_ = nmi[mask0]
nmi = cum[nmi_]
if not (mirrorindices or thirdindices):
return points
else:
return {'points': points,
'ti' : ti if thirdindices else None,
'mi' : mi if mirrorindices else None,
'nmi' : nmi if mirrorindices else None
}
from .cycommon import get_mn_y
from .cytranslations import trans_calculator
from .qpms_p import cart2sph
def hexlattice_precalc_AB_save(file, lMax, k_hexside, maxlayer, circular=True, savepointinfo = False, J_scat=3):
params = {
'lMax' : lMax,
'k_hexside' : k_hexside,
'maxlayer' : maxlayer,
'circular' : circular,
'savepointinfo' : savepointinfo,
'J_scat' : J_scat
}
tpdict = generate_trianglepoints(maxlayer, v3d=True, circular=circular, sixthindices=True, mirrorindices=True)
tphcdict = generate_trianglepoints_hexcomplement(maxlayer, v3d=True, circular=circular, thirdindices=True, mirrorindices=True)
my, ny = get_mn_y(lMax)
nelem = len(my)
a_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
b_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
a_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
b_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
a_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
b_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
a_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
b_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
k_0 = k_hexside*_s3 # not really a wave vector here because of the normalisation!
tc = trans_calculator(lMax)
y = np.arange(nelem)
points = tpdict['points'][tpdict['nmi']]
d_i2j = cart2sph(points)
a_self_nm, b_self_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
points = tpdict['points'][tpdict['mi'][0]]
d_i2j = cart2sph(points)
a_self_m0, b_self_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
points = tphcdict['points'][tphcdict['nmi']]
d_i2j = cart2sph(points)
a_d2u_nm, b_d2u_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
points = tphcdict['points'][tphcdict['mi'][0]]
d_i2j = cart2sph(points)
a_d2u_m0, b_d2u_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
tosave = {
'a_self_nm' : a_self_nm,
'a_self_m0' : a_self_m0,
'b_self_nm' : b_self_nm,
'b_self_m0' : b_self_m0,
'a_d2u_nm' : a_d2u_nm,
'a_d2u_m0' : a_d2u_m0,
'b_d2u_nm' : b_d2u_nm,
'b_d2u_m0' : b_d2u_m0,
'precalc_params' : params
}
if savepointinfo:
tosave['tp_points'] = tpdict['points'],
tosave['tp_si'] = tpdict['si'],
tosave['tp_mi'] = tpdict['mi'],
tosave['tp_nmi'] = tpdict['nmi']
tosave['tphc_points'] = tphcdict['points'],
tosave['tphc_ti'] = tphcdict['ti'],
tosave['tphc_mi'] = tphcdict['mi'],
tosave['tphc_nmi'] = tphcdict['nmi']
np.savez(file, **tosave)
def hexlattice_precalc_AB_loadunwrap(file, tpdict = None, tphcdict = None, return_points = False):
npz = np.load(file)
precalc_params = npz['precalc_params'][()]
my, ny = get_mn_y(precalc_params['lMax'])
nelem = len(my)
# this I should have made more universal...
if precalc_params['savepointinfo']:
if not tpdict:
tpdict = {
'points' : npz['tp_points'],
'si' : npz['tp_si'],
'mi' : npz['tp_mi'],
'nmi' : npz['tp_nmi'],
}
if not tphcdict:
tphcdict = {
'points' : npz['tphc_points'],
'ti' : npz['tphc_ti'],
'mi' : npz['tphc_mi'],
'nmi' : npz['tphc_nmi']
}
else:
if not tpdict:
tpdict = generate_trianglepoints(maxlayer = precalc_params['maxlayer'], v3d=True,
circular=precalc_params['circular'], sixthindices=True, mirrorindices=True)
if not tphcdict:
tphcdict = generate_trianglepoints_hexcomplement(maxlayer=precalc_params['maxlayer'], v3d=True,
circular=precalc_params['circular'], thirdindices=True, mirrorindices=True)
# For some obscure reason, I keep getting trailing single-dimension in the beginning for these arrays
for a in (tpdict['points'], tphcdict['points'], tpdict['si'], tpdict['mi'],
tphcdict['ti'], tphcdict['mi']):
if len(a.shape) > 2:
a.shape = a.shape[1::]
self_tr = tpdict['points']
d2u_tr = tphcdict['points']
if len(self_tr.shape)>2:
self_tr = np.reshape(self_tr, self_tr.shape[1::])
if len(d2u_tr.shape)>2:
d2u_tr = np.reshape(d2u_tr, d2u_tr.shape[1::])
u2d_tr = -d2u_tr
a_self = np.empty((self_tr.shape[0],nelem,nelem), dtype=complex)
b_self = np.empty((self_tr.shape[0],nelem,nelem), dtype=complex)
a_d2u = np.empty(( d2u_tr.shape[0],nelem,nelem), dtype=complex)
b_d2u = np.empty(( d2u_tr.shape[0],nelem,nelem), dtype=complex)
a_self[tpdict['nmi']]=npz['a_self_nm']
a_self[tpdict['mi'][0]]=npz['a_self_m0']
b_self[tpdict['nmi']]=npz['b_self_nm']
b_self[tpdict['mi'][0]]=npz['b_self_m0']
mirrorangles = cart2sph(self_tr[tpdict['mi'][1]])[:,2] - cart2sph(self_tr[tpdict['mi'][0]])[:,2]
a_self[tpdict['mi'][1],:,:] = a_self[tpdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
b_self[tpdict['mi'][1],:,:] = b_self[tpdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
for i in range(1,6):
a_self[tpdict['si'][i],:,:] = a_self[tpdict['si'][0],:,:] * np.exp(1j*math.pi/3*i*(my[nx,:]-my[:,nx]))
b_self[tpdict['si'][i],:,:] = b_self[tpdict['si'][0],:,:] * np.exp(1j*math.pi/3*i*(my[nx,:]-my[:,nx]))
a_d2u[tphcdict['nmi']]=npz['a_d2u_nm']
a_d2u[tphcdict['mi'][0]]=npz['a_d2u_m0']
b_d2u[tphcdict['nmi']]=npz['b_d2u_nm']
b_d2u[tphcdict['mi'][0]]=npz['b_d2u_m0']
mirrorangles = cart2sph(self_tr[tphcdict['mi'][1]])[:,2] - cart2sph(self_tr[tphcdict['mi'][0]])[:,2]
a_d2u[tphcdict['mi'][1],:,:] = a_d2u[tphcdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
b_d2u[tphcdict['mi'][1],:,:] = b_d2u[tphcdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
for i in (1,-1):
a_d2u[tphcdict['ti'][i],:,:] = a_d2u[tphcdict['ti'][0],:,:] * np.exp(i*2j*math.pi/3*(my[nx,:]-my[:,nx]))
b_d2u[tphcdict['ti'][i],:,:] = b_d2u[tphcdict['ti'][0],:,:] * np.exp(i*2j*math.pi/3*(my[nx,:]-my[:,nx]))
a_u2d = a_d2u * (-1)**(my[nx,:]-my[:,nx])
b_u2d = b_d2u * (-1)**(my[nx,:]-my[:,nx])
d = {
'a_self' : a_self,
'b_self' : b_self,
'a_d2u' : a_d2u,
'b_d2u' : b_d2u,
'a_u2d' : a_u2d,
'b_u2d' : b_u2d,
}
for k in precalc_params.keys():
d[k] = precalc_params[k]
if return_points:
d['d2u_tr'] = tphcdict['points']
d['u2d_tr'] = -tphcdict['points']
d['self_tr'] = tpdict['points']
return d
def hexlattice_get_AB(lMax, k_hexside, maxlayer, circular=True, return_points = True, J_scat=3):
params = {
'lMax' : lMax,
'k_hexside' : k_hexside,
'maxlayer' : maxlayer,
'circular' : circular,
'savepointinfo' : return_points, # should I delete this key?
'J_scat' : J_scat
}
tpdict = generate_trianglepoints(maxlayer, v3d=True, circular=circular, sixthindices=True, mirrorindices=True)
tphcdict = generate_trianglepoints_hexcomplement(maxlayer, v3d=True, circular=circular, thirdindices=True, mirrorindices=True)
my, ny = get_mn_y(lMax)
nelem = len(my)
a_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
b_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
a_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
b_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
a_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
b_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
a_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
b_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
k_0 = k_hexside*_s3 # not really a wave vector here because of the normalisation!
tc = trans_calculator(lMax)
y = np.arange(nelem)
points = tpdict['points'][tpdict['nmi']]
d_i2j = cart2sph(points)
a_self_nm, b_self_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
points = tpdict['points'][tpdict['mi'][0]]
d_i2j = cart2sph(points)
a_self_m0, b_self_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
points = tphcdict['points'][tphcdict['nmi']]
d_i2j = cart2sph(points)
a_d2u_nm, b_d2u_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
points = tphcdict['points'][tphcdict['mi'][0]]
d_i2j = cart2sph(points)
a_d2u_m0, b_d2u_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
'''
tosave = {
'a_self_nm' : a_self_nm,
'a_self_m0' : a_self_m0,
'b_self_nm' : b_self_nm,
'b_self_m0' : b_self_m0,
'a_d2u_nm' : a_d2u_nm,
'a_d2u_m0' : a_d2u_m0,
'b_d2u_nm' : b_d2u_nm,
'b_d2u_m0' : b_d2u_m0,
'precalc_params' : params
}
if savepointinfo:
tosave['tp_points'] = tpdict['points'],
tosave['tp_si'] = tpdict['si'],
tosave['tp_mi'] = tpdict['mi'],
tosave['tp_nmi'] = tpdict['nmi']
tosave['tphc_points'] = tphcdict['points'],
tosave['tphc_ti'] = tphcdict['ti'],
tosave['tphc_mi'] = tphcdict['mi'],
tosave['tphc_nmi'] = tphcdict['nmi']
np.savez(file, **tosave)
'''
self_tr = tpdict['points']
d2u_tr = tphcdict['points']
if len(self_tr.shape)>2:
self_tr = np.reshape(self_tr, self_tr.shape[1::])
if len(d2u_tr.shape)>2:
d2u_tr = np.reshape(d2u_tr, d2u_tr.shape[1::])
u2d_tr = -d2u_tr
a_self = np.empty((self_tr.shape[0],nelem,nelem), dtype=complex)
b_self = np.empty((self_tr.shape[0],nelem,nelem), dtype=complex)
a_d2u = np.empty(( d2u_tr.shape[0],nelem,nelem), dtype=complex)
b_d2u = np.empty(( d2u_tr.shape[0],nelem,nelem), dtype=complex)
a_self[tpdict['nmi']]=a_self_nm
a_self[tpdict['mi'][0]]=a_self_m0
b_self[tpdict['nmi']]=b_self_nm
b_self[tpdict['mi'][0]]=b_self_m0
mirrorangles = cart2sph(self_tr[tpdict['mi'][1]])[:,2] - cart2sph(self_tr[tpdict['mi'][0]])[:,2]
a_self[tpdict['mi'][1],:,:] = a_self[tpdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
b_self[tpdict['mi'][1],:,:] = b_self[tpdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
for i in range(1,6):
a_self[tpdict['si'][i],:,:] = a_self[tpdict['si'][0],:,:] * np.exp(1j*math.pi/3*i*(my[nx,:]-my[:,nx]))
b_self[tpdict['si'][i],:,:] = b_self[tpdict['si'][0],:,:] * np.exp(1j*math.pi/3*i*(my[nx,:]-my[:,nx]))
a_d2u[tphcdict['nmi']]=a_d2u_nm
a_d2u[tphcdict['mi'][0]]=a_d2u_m0
b_d2u[tphcdict['nmi']]=b_d2u_nm
b_d2u[tphcdict['mi'][0]]=b_d2u_m0
mirrorangles = cart2sph(self_tr[tphcdict['mi'][1]])[:,2] - cart2sph(self_tr[tphcdict['mi'][0]])[:,2]
a_d2u[tphcdict['mi'][1],:,:] = a_d2u[tphcdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
b_d2u[tphcdict['mi'][1],:,:] = b_d2u[tphcdict['mi'][0],:,:] * np.exp(1j*mirrorangles[:,nx,nx]*(my[nx,nx,:]-my[nx,:,nx]))
for i in (1,-1):
a_d2u[tphcdict['ti'][i],:,:] = a_d2u[tphcdict['ti'][0],:,:] * np.exp(i*2j*math.pi/3*(my[nx,:]-my[:,nx]))
b_d2u[tphcdict['ti'][i],:,:] = b_d2u[tphcdict['ti'][0],:,:] * np.exp(i*2j*math.pi/3*(my[nx,:]-my[:,nx]))
a_u2d = a_d2u * (-1)**(my[nx,:]-my[:,nx])
b_u2d = b_d2u * (-1)**(my[nx,:]-my[:,nx])
d = {
'a_self' : a_self,
'b_self' : b_self,
'a_d2u' : a_d2u,
'b_d2u' : b_d2u,
'a_u2d' : a_u2d,
'b_u2d' : b_u2d,
}
for k in params.keys():
d[k] = params[k]
if return_points:
d['d2u_tr'] = tphcdict['points']
d['u2d_tr'] = -tphcdict['points']
d['self_tr'] = tpdict['points']
return d
from scipy.constants import c
from .timetrack import _time_b, _time_e
from .tmatrices import symz_indexarrays
def hexlattice_zsym_getSVD(lMax, TMatrices_om, epsilon_b, hexside, maxlayer, omega, klist, gaussianSigma=False, onlyNmin=0, verbose=False):
btime = _time_b(verbose)
nelem = lMax * (lMax + 2)
n2id = np.identity(2*nelem)
n2id.shape = (2,nelem,2,nelem)
nan = float('nan')
k_0 = omega * math.sqrt(epsilon_b) / c
tdic = hexlattice_get_AB(lMax,k_0*hexside,maxlayer)
a_self = tdic['a_self'][:,:nelem,:nelem]
b_self = tdic['b_self'][:,:nelem,:nelem]
a_u2d = tdic['a_u2d'][:,:nelem,:nelem]
b_u2d = tdic['b_u2d'][:,:nelem,:nelem]
a_d2u = tdic['a_d2u'][:,:nelem,:nelem]
b_d2u = tdic['b_d2u'][:,:nelem,:nelem]
unitcell_translations = tdic['self_tr']*hexside*_s3
u2d_translations = tdic['u2d_tr']*hexside*_s3
d2u_translations = tdic['d2u_tr']*hexside*_s3
if gaussianSigma:
sbtime = _time_b(verbose, step='Calculating gaussian envelope')
unitcell_envelope = np.exp(-np.sum(tdic['self_tr']**2,axis=-1)/(2*gaussianSigma**2))
u2d_envelope = np.exp(-np.sum(tdic['u2d_tr']**2,axis=-1)/(2*gaussianSigma**2))
d2u_envelope = np.exp(-np.sum(tdic['d2u_tr']**2,axis=-1)/(2*gaussianSigma**2))
_time_e(sbtime, verbose, step='Calculating gaussian envelope')
#TMatrices_om = TMatrices_interp(omega)
if(not onlyNmin):
svUfullTElist = np.full((klist.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svVfullTElist = np.full((klist.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svSfullTElist = np.full((klist.shape[0], 2*nelem), np.nan, dtype=complex)
svUfullTMlist = np.full((klist.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svVfullTMlist = np.full((klist.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svSfullTMlist = np.full((klist.shape[0], 2*nelem), np.nan, dtype=complex)
else:
minsvTElist = np.full((klist.shape[0], onlyNmin),np.nan)
minsvTMlist = np.full((klist.shape[0], onlyNmin),np.nan)
leftmatrixlist = np.full((klist.shape[0],2,2,nelem,2,2,nelem),np.nan,dtype=complex)
#isNaNlist = np.zeros((klist.shape[0]), dtype=bool)
isNaNlist = (k_0*k_0 - klist[:,0]**2 - klist[:,1]**2 < 0)
nnlist = np.logical_not(isNaNlist)
sbtime = _time_b(verbose, step='Initialization of matrices for SVD for a given list of k\'s')
#ki = np.arange(klist.shape[0])[k_0*k_0 - klist[:,0]**2 - klist[:,1]**2 >= 0]
k = klist[nnlist]
phases_self = np.exp(1j*np.tensordot(k,unitcell_translations,axes=(-1,-1)))
phases_u2d = np.exp(1j*np.tensordot(k,u2d_translations,axes=(-1,-1)))
phases_d2u = np.exp(1j*np.tensordot(k,d2u_translations,axes=(-1,-1)))
if gaussianSigma:
phases_self *= unitcell_envelope
phases_u2d *= u2d_envelope
phases_d2u *= d2u_envelope
leftmatrix = np.zeros((k.shape[0],2,2,nelem, 2,2,nelem), dtype=complex)
# 0:[u,E<--u,E ]
# 1:[d,M<--d,M ]
leftmatrix[:,0,0,:,0,0,:] = np.tensordot(phases_self,a_self, axes=(-1,0)) # u2u, E2E
leftmatrix[:,1,0,:,1,0,:] = leftmatrix[:,0,0,:,0,0,:] # d2d, E2E
leftmatrix[:,0,1,:,0,1,:] = leftmatrix[:,0,0,:,0,0,:] # u2u, M2M
leftmatrix[:,1,1,:,1,1,:] = leftmatrix[:,0,0,:,0,0,:] # d2d, M2M
leftmatrix[:,0,0,:,0,1,:] = np.tensordot(phases_self,b_self, axes=(-1,0)) # u2u, M2E
leftmatrix[:,0,1,:,0,0,:] = leftmatrix[:,0,0,:,0,1,:] # u2u, E2M
leftmatrix[:,1,1,:,1,0,:] = leftmatrix[:,0,0,:,0,1,:] # d2d, E2M
leftmatrix[:,1,0,:,1,1,:] = leftmatrix[:,0,0,:,0,1,:] # d2d, M2E
leftmatrix[:,0,0,:,1,0,:] = np.tensordot(phases_d2u, a_d2u,axes=(-1,0)) #d2u,E2E
leftmatrix[:,0,1,:,1,1,:] = leftmatrix[:,0,0,:,1,0,:] #d2u, M2M
leftmatrix[:,1,0,:,0,0,:] = np.tensordot(phases_u2d, a_u2d,axes=(-1,0)) #u2d,E2E
leftmatrix[:,1,1,:,0,1,:] = leftmatrix[:,1,0,:,0,0,:] #u2d, M2M
leftmatrix[:,0,0,:,1,1,:] = np.tensordot(phases_d2u, b_d2u,axes=(-1,0)) #d2u,M2E
leftmatrix[:,0,1,:,1,0,:] = leftmatrix[:,0,0,:,1,1,:] #d2u, E2M
leftmatrix[:,1,0,:,0,1,:] = np.tensordot(phases_u2d, b_u2d,axes=(-1,0)) #u2d,M2E
leftmatrix[:,1,1,:,0,0,:] = leftmatrix[:,1,0,:,0,1,:] #u2d, E2M
#leftmatrix is now the translation matrix T
for j in range(2):
leftmatrix[:,j] = np.rollaxis(-np.tensordot(TMatrices_om[j], leftmatrix[:,j], axes=([-2,-1],[1,2])),2)
# at this point, jth row of leftmatrix is that of -MT
leftmatrix[:,j,:,:,j,:,:] += n2id
#now we are done, 1-MT
leftmatrixlist[nnlist] = leftmatrix
'''
# sem nějaká rozumná smyčka
for ki in range(klist.shape[0]):
k = klist[ki]
if (k_0*k_0 - k[0]*k[0] - k[1]*k[1] < 0):
isNaNlist[ki] = True
continue
phases_self = np.exp(1j*np.tensordot(k,unitcell_translations,axes=(0,-1)))
phases_u2d = np.exp(1j*np.tensordot(k,u2d_translations,axes=(0,-1)))
phases_d2u = np.exp(1j*np.tensordot(k,d2u_translations,axes=(0,-1)))
if gaussianSigma:
phases_self *= unitcell_envelope
phases_u2d *= u2d_envelope
phases_d2u *= d2u_envelope
leftmatrix = np.zeros((2,2,nelem, 2,2,nelem), dtype=complex)
# 0:[u,E<--u,E ]
# 1:[d,M<--d,M ]
leftmatrix[0,0,:,0,0,:] = np.tensordot(a_self,phases_self, axes=(0,-1)) # u2u, E2E
leftmatrix[1,0,:,1,0,:] = leftmatrix[0,0,:,0,0,:] # d2d, E2E
leftmatrix[0,1,:,0,1,:] = leftmatrix[0,0,:,0,0,:] # u2u, M2M
leftmatrix[1,1,:,1,1,:] = leftmatrix[0,0,:,0,0,:] # d2d, M2M
leftmatrix[0,0,:,0,1,:] = np.tensordot(b_self,phases_self, axes=(0,-1)) # u2u, M2E
leftmatrix[0,1,:,0,0,:] = leftmatrix[0,0,:,0,1,:] # u2u, E2M
leftmatrix[1,1,:,1,0,:] = leftmatrix[0,0,:,0,1,:] # d2d, E2M
leftmatrix[1,0,:,1,1,:] = leftmatrix[0,0,:,0,1,:] # d2d, M2E
leftmatrix[0,0,:,1,0,:] = np.tensordot(a_d2u, phases_d2u,axes=(0,-1)) #d2u,E2E
leftmatrix[0,1,:,1,1,:] = leftmatrix[0,0,:,1,0,:] #d2u, M2M
leftmatrix[1,0,:,0,0,:] = np.tensordot(a_u2d, phases_u2d,axes=(0,-1)) #u2d,E2E
leftmatrix[1,1,:,0,1,:] = leftmatrix[1,0,:,0,0,:] #u2d, M2M
leftmatrix[0,0,:,1,1,:] = np.tensordot(b_d2u, phases_d2u,axes=(0,-1)) #d2u,M2E
leftmatrix[0,1,:,1,0,:] = leftmatrix[0,0,:,1,1,:] #d2u, E2M
leftmatrix[1,0,:,0,1,:] = np.tensordot(b_u2d, phases_u2d,axes=(0,-1)) #u2d,M2E
leftmatrix[1,1,:,0,0,:] = leftmatrix[1,0,:,0,1,:] #u2d, E2M
#leftmatrix is now the translation matrix T
for j in range(2):
leftmatrix[j] = -np.tensordot(TMatrices_om[j], leftmatrix[j], axes=([-2,-1],[0,1]))
# at this point, jth row of leftmatrix is that of -MT
leftmatrix[j,:,:,j,:,:] += n2id
#now we are done, 1-MT
leftmatrixlist[ki] = leftmatrix
'''
leftmatrixlist_s = np.reshape(leftmatrixlist,(klist.shape[0], 2*2*nelem,2*2*nelem))[nnlist]
TEč, TMč = symz_indexarrays(lMax, 2)
leftmatrixlist_TE = leftmatrixlist_s[np.ix_(np.arange(leftmatrixlist_s.shape[0]),TEč,TEč)]
leftmatrixlist_TM = leftmatrixlist_s[np.ix_(np.arange(leftmatrixlist_s.shape[0]),TMč,TMč)]
_time_e(sbtime, verbose, step='Initializing matrices for SVD for a given list of k\'s')
sbtime = _time_b(verbose, step='Calculating SVDs for a given list of k\'s.')
if(not onlyNmin):
svUfullTElist[nnlist], svSfullTElist[nnlist], svVfullTElist[nnlist] = np.linalg.svd(leftmatrixlist_TE, compute_uv=True)
svUfullTMlist[nnlist], svSfullTMlist[nnlist], svVfullTMlist[nnlist] = np.linalg.svd(leftmatrixlist_TM, compute_uv=True)
_time_e(sbtime, verbose, step='Calculating SVDs for a given list of k\'s.')
_time_e(btime, verbose)
return ((svUfullTElist, svSfullTElist, svVfullTElist), (svUfullTMlist, svSfullTMlist, svVfullTMlist))
else:
minsvTElist[nnlist] = np.linalg.svd(leftmatrixlist_TE, compute_uv=False)[...,-onlyNmin:]
minsvTMlist[nnlist] = np.linalg.svd(leftmatrixlist_TM, compute_uv=False)[...,-onlyNmin:]
_time_e(sbtime, verbose, step='Calculating SVDs for a given list of k\'s.')
_time_e(btime, verbose)
return (minsvTElist, minsvTMlist)

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@ -1,130 +0,0 @@
import math
import numpy as np
cimport numpy as np
nx = None
cdef double _s3 = math.sqrt(3)
from scipy.constants import c
from .timetrack import _time_b, _time_e
from .tmatrices import symz_indexarrays
from .hexpoints import hexlattice_get_AB
cpdef hexlattice_zsym_getSVD(int lMax, TMatrices_om, double epsilon_b, double hexside, size_t maxlayer, double omega, klist, gaussianSigma=False, int onlyNmin=0, verbose=False):
cdef np.ndarray[np.npy_double, ndim = 2] klist_c = klist
btime = _time_b(verbose)
cdef size_t nelem = lMax * (lMax + 2)
_n2id = np.identity(2*nelem)
_n2id.shape = (2,nelem,2,nelem)
cdef np.ndarray[np.npy_double, ndim = 4] n2id = _n2id
cdef double nan = float('nan')
k_0 = omega * math.sqrt(epsilon_b) / c
tdic = hexlattice_get_AB(lMax,k_0*hexside,maxlayer)
cdef np.ndarray[np.npy_cdouble, ndim = 3] a_self = tdic['a_self'][:,:nelem,:nelem]
cdef np.ndarray[np.npy_cdouble, ndim = 3] b_self = tdic['b_self'][:,:nelem,:nelem]
cdef np.ndarray[np.npy_cdouble, ndim = 3] a_u2d = tdic['a_u2d'][:,:nelem,:nelem]
cdef np.ndarray[np.npy_cdouble, ndim = 3] b_u2d = tdic['b_u2d'][:,:nelem,:nelem]
cdef np.ndarray[np.npy_cdouble, ndim = 3] a_d2u = tdic['a_d2u'][:,:nelem,:nelem]
cdef np.ndarray[np.npy_cdouble, ndim = 3] b_d2u = tdic['b_d2u'][:,:nelem,:nelem]
cdef np.ndarray[np.npy_double, ndim = 2] unitcell_translations = tdic['self_tr']*hexside*_s3
cdef np.ndarray[np.npy_double, ndim = 2] u2d_translations = tdic['u2d_tr']*hexside*_s3
cdef np.ndarray[np.npy_double, ndim = 2] d2u_translations = tdic['d2u_tr']*hexside*_s3
cdef np.ndarray[np.npy_double, ndim = 1] unitcell_envelope, u2d_envelope, d2u_envelope
if gaussianSigma:
sbtime = _time_b(verbose, step='Calculating gaussian envelope')
unitcell_envelope = np.exp(-np.sum(tdic['self_tr']**2,axis=-1)/(2*gaussianSigma**2))
u2d_envelope = np.exp(-np.sum(tdic['u2d_tr']**2,axis=-1)/(2*gaussianSigma**2))
d2u_envelope = np.exp(-np.sum(tdic['d2u_tr']**2,axis=-1)/(2*gaussianSigma**2))
_time_e(sbtime, verbose, step='Calculating gaussian envelope')
cdef np.ndarray[np.npy_cdouble, ndim = 3] svUfullTElist, svVfullTElist, svUfullTMlist, svVfullTMlist
cdef np.ndarray[np.npy_cdouble, ndim = 2] svSfullTElist, svSfullTMlist
cdef np.ndarray[np.npy_double, ndim = 2] minsvTElist, minsvTMlist
#TMatrices_om = TMatrices_interp(omega)
if(not onlyNmin):
svUfullTElist = np.full((klist_c.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svVfullTElist = np.full((klist_c.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svSfullTElist = np.full((klist_c.shape[0], 2*nelem), np.nan, dtype=complex)
svUfullTMlist = np.full((klist_c.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svVfullTMlist = np.full((klist_c.shape[0], 2*nelem, 2*nelem), np.nan, dtype=complex)
svSfullTMlist = np.full((klist_c.shape[0], 2*nelem), np.nan, dtype=complex)
else:
minsvTElist = np.full((klist_c.shape[0], onlyNmin),np.nan)
minsvTMlist = np.full((klist_c.shape[0], onlyNmin),np.nan)
cdef np.ndarray[np.npy_cdouble] leftmatrixlist = np.full((klist_c.shape[0],2,2,nelem,2,2,nelem),np.nan,dtype=complex)
cdef np.ndarray[np.npy_bool, ndim=1] isNaNlist = np.zeros((klist_c.shape[0]), dtype=bool)
sbtime = _time_b(verbose, step='Initialization of matrices for SVD for a given list of k\'s')
# sem nějaká rozumná smyčka
# declarations for the ki loop:
cdef size_t ki
cdef np.ndarray[np.npy_cdouble, ndim = 1] phases_self
cdef np.ndarray[np.npy_cdouble, ndim = 1] phases_u2d
cdef np.ndarray[np.npy_cdouble, ndim = 1] phases_d2u
cdef np.ndarray[np.npy_cdouble, ndim=6] leftmatrix
cdef np.ndarray[np.npy_double, ndim=1] k
cdef int j
for ki in range(klist_c.shape[0]):
k = klist_c[ki]
if (k_0*k_0 - k[0]*k[0] - k[1]*k[1] < 0):
isNaNlist[ki] = True
continue
phases_self = np.exp(1j*np.tensordot(k,unitcell_translations,axes=(0,-1)))
phases_u2d = np.exp(1j*np.tensordot(k,u2d_translations,axes=(0,-1)))
phases_d2u = np.exp(1j*np.tensordot(k,d2u_translations,axes=(0,-1)))
if gaussianSigma:
phases_self *= unitcell_envelope
phases_u2d *= u2d_envelope
phases_d2u *= d2u_envelope
leftmatrix = np.zeros((2,2,nelem, 2,2,nelem), dtype=complex)
# 0:[u,E<--u,E ]
# 1:[d,M<--d,M ]
leftmatrix[0,0,:,0,0,:] = np.tensordot(a_self,phases_self, axes=(0,-1)) # u2u, E2E
leftmatrix[1,0,:,1,0,:] = leftmatrix[0,0,:,0,0,:] # d2d, E2E
leftmatrix[0,1,:,0,1,:] = leftmatrix[0,0,:,0,0,:] # u2u, M2M
leftmatrix[1,1,:,1,1,:] = leftmatrix[0,0,:,0,0,:] # d2d, M2M
leftmatrix[0,0,:,0,1,:] = np.tensordot(b_self,phases_self, axes=(0,-1)) # u2u, M2E
leftmatrix[0,1,:,0,0,:] = leftmatrix[0,0,:,0,1,:] # u2u, E2M
leftmatrix[1,1,:,1,0,:] = leftmatrix[0,0,:,0,1,:] # d2d, E2M
leftmatrix[1,0,:,1,1,:] = leftmatrix[0,0,:,0,1,:] # d2d, M2E
leftmatrix[0,0,:,1,0,:] = np.tensordot(a_d2u, phases_d2u,axes=(0,-1)) #d2u,E2E
leftmatrix[0,1,:,1,1,:] = leftmatrix[0,0,:,1,0,:] #d2u, M2M
leftmatrix[1,0,:,0,0,:] = np.tensordot(a_u2d, phases_u2d,axes=(0,-1)) #u2d,E2E
leftmatrix[1,1,:,0,1,:] = leftmatrix[1,0,:,0,0,:] #u2d, M2M
leftmatrix[0,0,:,1,1,:] = np.tensordot(b_d2u, phases_d2u,axes=(0,-1)) #d2u,M2E
leftmatrix[0,1,:,1,0,:] = leftmatrix[0,0,:,1,1,:] #d2u, E2M
leftmatrix[1,0,:,0,1,:] = np.tensordot(b_u2d, phases_u2d,axes=(0,-1)) #u2d,M2E
leftmatrix[1,1,:,0,0,:] = leftmatrix[1,0,:,0,1,:] #u2d, E2M
#leftmatrix is now the translation matrix T
for j in range(2):
leftmatrix[j] = -np.tensordot(TMatrices_om[j], leftmatrix[j], axes=([-2,-1],[0,1]))
# at this point, jth row of leftmatrix is that of -MT
leftmatrix[j,:,:,j,:,:] += n2id
#now we are done, 1-MT
leftmatrixlist[ki] = leftmatrix
nnlist = np.logical_not(isNaNlist)
leftmatrixlist_s = np.reshape(leftmatrixlist,(klist_c.shape[0], 2*2*nelem,2*2*nelem))[nnlist]
TEc, TMc = symz_indexarrays(lMax, 2)
leftmatrixlist_TE = leftmatrixlist_s[np.ix_(np.arange(leftmatrixlist_s.shape[0]),TEc,TEc)]
leftmatrixlist_TM = leftmatrixlist_s[np.ix_(np.arange(leftmatrixlist_s.shape[0]),TMc,TMc)]
_time_e(sbtime, verbose, step='Initializing matrices for SVD for a given list of k\'s')
sbtime = _time_b(verbose, step='Calculating SVDs for a given list of k\'s.')
if(not onlyNmin):
svUfullTElist[nnlist], svSfullTElist[nnlist], svVfullTElist[nnlist] = np.linalg.svd(leftmatrixlist_TE, compute_uv=True)
svUfullTMlist[nnlist], svSfullTMlist[nnlist], svVfullTMlist[nnlist] = np.linalg.svd(leftmatrixlist_TM, compute_uv=True)
_time_e(sbtime, verbose, step='Calculating SVDs for a given list of k\'s.')
return ((svUfullTElist, svSfullTElist, svVfullTElist), (svUfullTMlist, svSfullTMlist, svVfullTMlist))
else:
minsvTElist[nnlist] = np.linalg.svd(leftmatrixlist_TE, compute_uv=False)[...,-onlyNmin:]
minsvTMlist[nnlist] = np.linalg.svd(leftmatrixlist_TM, compute_uv=False)[...,-onlyNmin:]
_time_e(sbtime, verbose, step='Calculating SVDs for a given list of k\'s.')
return (minsvTElist, minsvTMlist)

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@ -1,3 +1,7 @@
"""
These functions are mostly deprecated by the C counterparts from lattices.h.
This file is still kept for reference, but might be removed in the future.
"""
import numpy as np
from enum import Enum
from math import floor

File diff suppressed because it is too large Load Diff

View File

@ -1,7 +1,5 @@
# Kde co je
## Staré věci
hexpoints.py
legacy.py
qpms_p.py (až na změny souřadnic???)
## Nové věci
@ -12,31 +10,8 @@ tmatrices.py
types.py
svwf.c
## Smíšené / v přepisu
scattering.py
qpms_c.pyx
## ???
hexpoints_c.pyx
# hexpoints.py
Asi hlavně starý kód pro vytváření trojúhelníkových a hexagonálních mřížek
a počítání (a ukládání) interakčních matic
## funkce
generate_trianglepoints
generate_trianglepoints_hexcomplement
hexlattice_precalc_AB_save
hexlattice_precalc_AB_loadunwrap
hexlattice_get_AB
hexlattice_zsym_getSVD
# hexpoints_c.pyx
Obsahuje pouze jedinou funkci (která je i v hexpoints.py).
Používá se tohle vůbec někde?
## funkce
hexlattice_zsym_getSVD
# lattices2d.py
Nový kód, manipulace s basemi, vytváření mřížek atd.
@ -58,23 +33,6 @@ filledWS
filledWS2
change_basis
# legacy.py
Stařičký kód
## funkce
q_max
a_q
G_Mie_scat_precalc_cart
G_Mie_scat_cart
scatter_plane_wave
scatter_plane_wave_rectarray
scatter_constmultipole_rectarray
hexlattice_precalc_AB_save2
hexlattice_precalc_AB_save_purepy
hexlattice_precalc_AB_loadunwrap
hexlattice_get_AB
# qpms_p.py
## funkce
@ -111,12 +69,6 @@ G0L_analytical
G0T_analytical
G0_sum_1_slow
# scattering.py
## třídy
Scattering
LatticeScattering (neimplementováno nic, asi zrovna rozepsáno)
Scattering_2D_zsym
# scripts_common.py
## funkce
make_action_sharedlist

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@ -1,3 +1,7 @@
"""
This file contains mostly legacy code, but is still kept for reference. Avoid using this.
"""
import numpy as np
from .qpms_c import *
ň = np.newaxis

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@ -1,386 +0,0 @@
'''
Object oriented approach for the classical multiple scattering problem.
'''
__TODO__ = '''
- Implement per-scatterer lMax
- This means that Scattering.TMatrices either can not be a single array with a fixed
(N, 2, nelem, 2, nelem) shape but rather list of (2, nelem, 2, nelem) with nelem varying
per particle or some of its elements have to be unused. Anyways, there has to be some kind of
list with the lMaxes.
'''
import numpy as np
nx = np.newaxis
import time
import scipy
import sys
import warnings
import math
from qpms_c import get_mn_y, trans_calculator # TODO be explicit about what is imported
from .qpms_p import cart2sph, nelem2lMax # TODO be explicit about what is imported
from .timetrack import _time_b, _time_e
class Scattering(object):
'''
This is the most general class for a system of scatterers
in a non-lossy homogeneous background
to be solved with the multiple_scattering method. The scatterers,
as long as they comply with the disjoint circumscribed sphere
hypothesis, can each have any position in the 3D space and
any T-matrix.
Note that this object describes the scattering problem only for
a single given frequency, as the T-matrices and wavelenght
otherwise differ and all the computationally demanding
parts have to be done for each frequency. However,
the object can be recycled for many incident field shapes
at the given frequency.
Attributes should be perhaps later redefined to be read-only
(or make descriptors for them).
Args:
positions: (N,3)-shaped real array
TMatrices: (N,2,nelem,2,nelem)-shaped array
k_0 (float): Wave number for the space between scatterers.
Attributes:
positions:
TMatrices:
k_0 (float): Wave number for the space between scatterers.
lMax (int): Absolute maximum l for all scatterers. Depending on implementation,
lMax can be smaller for some individual scatterers in certain subclasses.
FIXME: here it is still implemented as constant lMax for all sites, see #!
prepared (bool): Keeps information whether the interaction matrix has
already been built and factorized.
'''
def __init__(self, positions, TMatrices, k_0, lMax = None, verbose=False, J_scat=3):
self.J_scat = J_scat
self.positions = positions.reshape((-1, positions.shape[-1]))
self.interaction_matrix = None
self.N = self.positions.shape[0]
self.k_0 = k_0
self.lMax = lMax if lMax else nelem2lMax(TMatrices.shape[-1])
self.tc = trans_calculator(self.lMax)
nelem = self.lMax * (self.lMax + 2) #!
self.nelem = nelem #!
self.prepared = False
self.TMatrices = np.broadcast_to(TMatrices, (self.N,2,nelem,2,nelem))
if np.isnan(np.min(TMatrices)):
warnings.warn("Some TMatrices contain NaNs. Expect invalid results")
if np.isnan(np.min(positions)):
warnings.warn("positions contain NaNs. Expect invalid results")
if math.isnan(k_0):
warnings.warn("k_0 is NaN. Expect invalid results")
def prepare(self, keep_interaction_matrix = False, verbose=False):
btime = _time_b(verbose)
if not self.prepared:
if self.interaction_matrix is None:
self.build_interaction_matrix(verbose=verbose)
self.lupiv = scipy.linalg.lu_factor(self.interaction_matrix,overwrite_a = not keep_interaction_matrix)
if not keep_interaction_matrix:
self.interaction_matrix = None
self.prepared = True
_time_e(btime, verbose)
def build_interaction_matrix(self,verbose = False):
btime = _time_b(verbose)
N = self.N
my, ny = get_mn_y(self.lMax)
nelem = len(my)
leftmatrix = np.zeros((N,2,nelem,N,2,nelem), dtype=complex)
sbtime = _time_b(verbose, step = 'Calculating interparticle translation coefficients')
"""
for i in range(N):
for j in range(N):
for yi in range(nelem):
for yj in range(nelem):
if(i != j):
d_i2j = cart2sph(self.positions[j]-self.positions[i])
a = Ã(my[yj],ny[yj],my[yi],ny[yi],kdlj=d_i2j[0]*self.k_0,θlj=d_i2j[1],φlj=d_i2j[2],r_ge_d=False,J=self.J_scat)
b = B̃(my[yj],ny[yj],my[yi],ny[yi],kdlj=d_i2j[0]*self.k_0,θlj=d_i2j[1],φlj=d_i2j[2],r_ge_d=False,J=self.J_scat)
leftmatrix[j,0,yj,i,0,yi] = a
leftmatrix[j,1,yj,i,1,yi] = a
leftmatrix[j,0,yj,i,1,yi] = b
leftmatrix[j,1,yj,i,0,yi] = b
"""
kdji = cart2sph(self.positions[:,nx,:] - self.positions[nx,:,:])
kdji[:,:,0] *= self.k_0
# get_AB array structure: [j,yj,i,yi]
a, b = self.tc.get_AB(my[nx,:,nx,nx],ny[nx,:,nx,nx],my[nx,nx,nx,:],ny[nx,nx,nx,:],
(kdji[:,:,0])[:,nx,:,nx], (kdji[:,:,1])[:,nx,:,nx], (kdji[:,:,2])[:,nx,:,nx],
False,self.J_scat)
mask = np.broadcast_to(np.eye(N,dtype=bool)[:,nx,:,nx],(N,nelem,N,nelem))
a[mask] = 0 # no self-translations
b[mask] = 0
leftmatrix[:,0,:,:,0,:] = a
leftmatrix[:,1,:,:,1,:] = a
leftmatrix[:,0,:,:,1,:] = b
leftmatrix[:,1,:,:,0,:] = b
_time_e(sbtime, verbose, step = 'Calculating interparticle translation coefficients')
# at this point, leftmatrix is the translation matrix
n2id = np.identity(2*nelem)
n2id.shape = (2,nelem,2,nelem)
for j in range(N):
leftmatrix[j] = - np.tensordot(self.TMatrices[j],leftmatrix[j],axes=([-2,-1],[0,1]))
# at this point, jth row of leftmatrix is that of -MT
leftmatrix[j,:,:,j,:,:] += n2id
# now we are done, 1-MT
leftmatrix.shape=(N*2*nelem,N*2*nelem)
self.interaction_matrix = leftmatrix
_time_e(btime, verbose)
def scatter(self, pq_0, verbose = False):
'''
pq_0 is (N, nelem, 2)-shaped array
'''
btime = _time_b(verbose)
if math.isnan(np.min(pq_0)):
warnings.warn("The incident field expansion contains NaNs. Expect invalid results.")
self.prepare(verbose=verbose)
pq_0 = np.broadcast_to(pq_0, (self.N,2,self.nelem))
MP_0 = np.empty((self.N,2,self.nelem),dtype=np.complex_)
for j in range(self.N):
MP_0[j] = np.tensordot(self.TMatrices[j], pq_0[j],axes=([-2,-1],[-2,-1]))
MP_0.shape = (self.N*2*self.nelem,)
solvebtime = _time_b(verbose,step='Solving the linear equation')
ab = scipy.linalg.lu_solve(self.lupiv, MP_0)
if math.isnan(np.min(ab)):
warnings.warn("Got NaN in the scattering result. Damn.")
raise
_time_e(solvebtime, verbose, step='Solving the linear equation')
ab.shape = (self.N,2,self.nelem)
_time_e(btime, verbose)
return ab
def scatter_constmultipole(self, pq_0_c, verbose = False):
btime = _time_b(verbose)
N = self.N
self.prepare(verbose=verbose)
nelem = self.nelem
if(pq_0_c ==1):
pq_0_c = np.full((2,nelem),1)
ab = np.empty((2,nelem,N*2*nelem), dtype=complex)
for N_or_M in range(2):
for yy in range(nelem):
pq_0 = np.zeros((2,nelem),dtype=np.complex_)
pq_0[N_or_M,yy] = pq_0_c[N_or_M,yy]
pq_0 = np.broadcast_to(pq_0, (N,2,nelem))
MP_0 = np.empty((N,2,nelem),dtype=np.complex_)
for j in range(N):
MP_0[j] = np.tensordot(self.TMatrices[j], pq_0[j],axes=([-2,-1],[-2,-1]))
MP_0.shape = (N*2*nelem,)
ab[N_or_M,yy] = scipy.linalg.lu_solve(self.lupiv,MP_0)
ab.shape = (2,nelem,N,2,nelem)
_time_e(btime, verbose)
return ab
class LatticeScattering(Scattering):
def __init__(self, lattice_spec, k_0, zSym = False):
pass
"""
class Scattering_2D_lattice_rectcells(Scattering):
def __init__(self, rectcell_dims, rectcell_elem_positions, cellspec, k_0, rectcell_TMatrices = None, TMatrices = None, lMax = None, verbose=False, J_scat=3):
'''
cellspec: dvojice ve tvaru (seznam_zaplněnosti, seznam_pozic)
'''
if (rectcell_TMatrices is None) == (TMatrices is None):
raise ValueError('Either rectcell_TMatrices or TMatrices has to be given')
###self.positions = ZDE JSEM SKONČIL
self.J_scat = J_scat
self.positions = positions
self.interaction_matrix = None
self.N = positions.shape[0]
self.k_0 = k_0
self.lMax = lMax if lMax else nelem2lMax(TMatrices.shape[-1])
nelem = lMax * (lMax + 2) #!
self.nelem = nelem #!
self.prepared = False
self.TMatrices = np.broadcast_to(TMatrices, (self.N,2,nelem,2,nelem))
"""
class Scattering_2D_zsym(Scattering):
def __init__(self, positions, TMatrices, k_0, lMax = None, verbose=False, J_scat=3):
Scattering.__init__(self, positions, TMatrices, k_0, lMax, verbose, J_scat)
#TODO some checks on TMatrices symmetry
self.TE_yz = np.arange(self.nelem)
self.TM_yz = self.TE_yz
self.my, self.ny = get_mn_y(self.lMax)
self.TE_NMz = (self.my + self.ny) % 2
self.TM_NMz = 1 - self.TE_NMz
self.tc = trans_calculator(self.lMax)
# TODO možnost zadávat T-matice rovnou ve zhuštěné podobě
TMatrices_TE = TMatrices[...,self.TE_NMz[:,nx],self.TE_yz[:,nx],self.TE_NMz[nx,:],self.TE_yz[nx,:]]
TMatrices_TM = TMatrices[...,self.TM_NMz[:,nx],self.TM_yz[:,nx],self.TM_NMz[nx,:],self.TM_yz[nx,:]]
self.TMatrices_TE = np.broadcast_to(TMatrices_TE, (self.N, self.nelem, self.nelem))
self.TMatrices_TM = np.broadcast_to(TMatrices_TM, (self.N, self.nelem, self.nelem))
self.prepared_TE = False
self.prepared_TM = False
self.interaction_matrix_TE = None
self.interaction_matrix_TM= None
def prepare_partial(self, TE_or_TM, keep_interaction_matrix = False, verbose=False):
'''
TE is 0, TM is 1.
'''
btime = _time_b(verbose)
if (TE_or_TM == 0): #TE
if not self.prepared_TE:
if self.interaction_matrix_TE is None:
self.build_interaction_matrix(0, verbose)
sbtime = _time_b(verbose, step = 'Calculating LU decomposition of the interaction matrix, TE part')
self.lupiv_TE = scipy.linalg.lu_factor(self.interaction_matrix_TE, overwrite_a = not keep_interaction_matrix)
_time_e(sbtime, verbose, step = 'Calculating LU decomposition of the interaction matrix, TE part')
if(np.isnan(np.min(self.lupiv_TE[0])) or np.isnan(np.min(self.lupiv_TE[1]))):
warnings.warn("LU factorisation of interaction matrix contains NaNs. Expect invalid results.")
self.prepared_TE = True
if (TE_or_TM == 1): #TM
if not self.prepared_TM:
if self.interaction_matrix_TM is None:
self.build_interaction_matrix(1, verbose)
sbtime = _time_b(verbose, step = 'Calculating LU decomposition of the interaction matrix, TM part')
self.lupiv_TM = scipy.linalg.lu_factor(self.interaction_matrix_TM, overwrite_a = not keep_interaction_matrix)
_time_e(sbtime, verbose, step = 'Calculating LU decomposition of the interaction matrix, TM part')
if(np.isnan(np.min(self.lupiv_TM[0])) or np.isnan(np.min(self.lupiv_TM[1]))):
warnings.warn("LU factorisation of interaction matrix contains NaNs. Expect invalid results.")
self.prepared_TM = True
_time_e(btime, verbose)
def prepare(self, keep_interaction_matrix = False, verbose=False):
btime = _time_b(verbose)
if not self.prepared:
self.prepare_partial(0, keep_interaction_matrix, verbose)
self.prepare_partial(1, keep_interaction_matrix, verbose)
self.prepared = True
_time_e(btime, verbose)
def build_interaction_matrix(self,TE_or_TM = None, verbose = False):
#None means both
btime = _time_b(verbose)
N = self.N
my, ny = get_mn_y(self.lMax)
nelem = len(my)
idm = np.identity(nelem)
if (TE_or_TM == 0):
EoMl = (0,)
elif (TE_or_TM == 1):
EoMl = (1,)
elif (TE_or_TM is None):
EoMl = (0,1)
sbtime = _time_b(verbose, step = 'Calculating interparticle translation coefficients')
kdji = cart2sph(self.positions[:,nx,:] - self.positions[nx,:,:], allow2d=True)
kdji[:,:,0] *= self.k_0
# get_AB array structure: [j,yj,i,yi]
# FIXME I could save some memory by calculating only half of these coefficients
a, b = self.tc.get_AB(my[nx,:,nx,nx],ny[nx,:,nx,nx],my[nx,nx,nx,:],ny[nx,nx,nx,:],
(kdji[:,:,0])[:,nx,:,nx], (kdji[:,:,1])[:,nx,:,nx], (kdji[:,:,2])[:,nx,:,nx],
False,self.J_scat)
mask = np.broadcast_to(np.eye(N,dtype=bool)[:,nx,:,nx],(N,nelem,N,nelem))
a[mask] = 0 # no self-translations
b[mask] = 0
if np.isnan(np.min(a)) or np.isnan(np.min(b)):
warnings.warn("Some of the translation coefficients is a NaN. Expect invalid results.")
_time_e(sbtime, verbose, step = 'Calculating interparticle translation coefficients')
for EoM in EoMl:
leftmatrix = np.zeros((N,nelem,N,nelem), dtype=complex)
y = np.arange(nelem)
yi = y[nx,nx,nx,:]
yj = y[nx,:,nx,nx]
mask = np.broadcast_to((((yi - yj) % 2) == 0),(N,nelem,N,nelem))
leftmatrix[mask] = a[mask]
mask = np.broadcast_to((((yi - yj) % 2) != 0),(N,nelem,N,nelem))
leftmatrix[mask] = b[mask]
""" # we use to calculate the AB coefficients here
for i in range(N):
for j in range(i):
for yi in range(nelem):
for yj in range(nelem):
d_i2j = cart2sph(self.positions[j]-self.positions[i])
if ((yi - yj) % 2) == 0:
tr = Ã(my[yj],ny[yj],my[yi],ny[yi],kdlj=d_i2j[0]*self.k_0,θlj=d_i2j[1],φlj=d_i2j[2],r_ge_d=False,J=self.J_scat)
else:
tr = B̃(my[yj],ny[yj],my[yi],ny[yi],kdlj=d_i2j[0]*self.k_0,θlj=d_i2j[1],φlj=d_i2j[2],r_ge_d=False,J=self.J_scat)
leftmatrix[j,yj,i,yi] = tr
leftmatrix[i,yi,j,yj] = tr if (0 == (my[yj]+my[yi]) % 2) else -tr
_time_e(sbtime, verbose, step = 'Calculating interparticle translation coefficients, T%s part' % ('M' if EoM else 'E'))
"""
for j in range(N):
leftmatrix[j] = - np.tensordot(self.TMatrices_TM[j] if EoM else self.TMatrices_TE[j],leftmatrix[j],
axes = ([-1],[0]))
leftmatrix[j,:,j,:] += idm
leftmatrix.shape = (self.N*self.nelem, self.N*self.nelem)
if np.isnan(np.min(leftmatrix)):
warnings.warn("Interaction matrix contains some NaNs. Expect invalid results.")
if EoM == 0:
self.interaction_matrix_TE = leftmatrix
if EoM == 1:
self.interaction_matrix_TM = leftmatrix
a = None
b = None
_time_e(btime, verbose)
def scatter_partial(self, TE_or_TM, pq_0, verbose = False):
'''
pq_0 is (N, nelem)-shaped array
'''
btime = _time_b(verbose)
self.prepare_partial(TE_or_TM, verbose = verbose)
pq_0 = np.broadcast_to(pq_0, (self.N, self.nelem))
MP_0 = np.empty((self.N,self.nelem),dtype=np.complex_)
for j in range(self.N):
if TE_or_TM: #TM
MP_0[j] = np.tensordot(self.TMatrices_TM[j], pq_0[j], axes=([-1],[-1]))
else: #TE
MP_0[j] = np.tensordot(self.TMatrices_TE[j], pq_0[j], axes=([-1],[-1]))
MP_0.shape = (self.N*self.nelem,)
solvebtime = _time_b(verbose,step='Solving the linear equation')
ab = scipy.linalg.lu_solve(self.lupiv_TM if TE_or_TM else self.lupiv_TE, MP_0)
_time_e(solvebtime, verbose, step='Solving the linear equation')
ab.shape = (self.N, self.nelem)
_time_e(btime,verbose)
return ab
def scatter(self, pq_0, verbose = False):
'''
FI7ME
pq_0 is (N, nelem, 2)-shaped array
'''
btime = _time_b(verbose)
raise Exception('Not yet implemented')
self.prepare(verbose=verbose)
pq_0 = np.broadcast_to(pq_0, (self.N,2,self.nelem))
MP_0 = np.empty((N,2,nelem),dtype=np.complex_)
for j in range(self.N):
MP_0[j] = np.tensordot(self.TMatrices[j], pq_0[j],axes=([-2,-1],[-2,-1]))
MP_0.shape = (N*2*self.nelem,)
solvebtime = _time_b(verbose,step='Solving the linear equation')
ab = scipy.linalg.lu_solve(self.lupiv, MP_0)
_time_e(solvebtime, verbose, step='Solving the linear equation')
ab.shape = (N,2,nelem)
_time_e(btime, verbose)
return ab
def forget_matrices(self):
'''
Free interaction matrices and set the respective flags
(useful when memory is a bottleneck).
'''
self.interaction_matrix_TE = None
self.interaction_matrix_TM = None
self.lupiv_TE = None
self.lupiv_TM = None
self.prepared_TE = False
self.prepared_TM = False
self.prepared = False

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@ -1,3 +1,6 @@
"""
Legacy code, used only in scripts_common.py. To be removed in future versions.
"""
import time
import sys

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@ -1,3 +1,8 @@
"""
Mostly legacy code, but still kept for reference.
Might be removed in future versions.
"""
import numpy as np
use_moble_quaternion = False
try: