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Various fixes to finiterectlat-constant-driving.py 

Former-commit-id: d4ef9a96dfea55ee0c906646d3260ac9ea518dae
This commit is contained in:
Marek Nečada 2020-03-27 00:10:21 +02:00
parent ac6e94065a
commit a14d0e5bc4
1 changed files with 48 additions and 27 deletions
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75
misc/finiterectlat-constant-driving.py
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@ -29,11 +29,10 @@ px, py = a.period
particlestr = ("sph" if a.height is None else "cyl") + ("_r%gnm" % (a.radius*1e9)) particlestr = ("sph" if a.height is None else "cyl") + ("_r%gnm" % (a.radius*1e9))
if a.height is not None: particlestr += "_h%gnm" % (a.height * 1e9) if a.height is not None: particlestr += "_h%gnm" % (a.height * 1e9)
defaultprefix = "cd_%s_p%gnmx%gnm_%dx%d_m%s_n%g_k_%g_%g_f%geV_L%d" % ( defaultprefix = "cd_%s_p%gnmx%gnm_%dx%d_m%s_n%g_k_%g_%g_f%geV_L%d_micro-%s" % (
particlestr, px*1e9, py*1e9, Nx, Ny, str(a.material), a.refractive_index, a.wavevector[0], a.wavevector[1], a.eV, a.lMax,) particlestr, px*1e9, py*1e9, Nx, Ny, str(a.material), a.refractive_index, a.wavevector[0], a.wavevector[1], a.eV, a.lMax, "SO3" if a.symmetry_adapted is None else a.symmetry_adapted)
logging.info("Default file prefix: %s" % defaultprefix) logging.info("Default file prefix: %s" % defaultprefix)
import numpy as np import numpy as np
import qpms import qpms
from qpms.cybspec import BaseSpec from qpms.cybspec import BaseSpec
@ -45,6 +44,27 @@ from qpms import FinitePointGroup, ScatteringSystem, BesselType, eV, hbar
from qpms.symmetries import point_group_info from qpms.symmetries import point_group_info
eh = eV/hbar eh = eV/hbar
def float_nicestr(x, tol=1e-5):
x = float(x)
if .5**2 - abs(x) < tol:
return(("-" if x < 0 else '+') + "2^{-2}")
else:
return "%+.3g" % x
def cplx_nicestr(x):
x = complex(x)
if x == 0:
return '0'
ret = ""
if x.real:
ret = ret + float_nicestr(x.real)
if x.imag:
ret = ret + float_nicestr(x.imag) + 'i'
if x.real and x.imag:
return '(' + ret + ')'
else:
return ret
def cleanarray(a, atol=1e-10, copy=True): def cleanarray(a, atol=1e-10, copy=True):
a = np.array(a, copy=copy) a = np.array(a, copy=copy)
sieve = abs(a.real) < atol sieve = abs(a.real) < atol
@ -94,6 +114,7 @@ if a.symmetry_adapted is not None:
for iri1 in range(ss1.nirreps): for iri1 in range(ss1.nirreps):
for j in range(ss1.saecv_sizes[iri1]): for j in range(ss1.saecv_sizes[iri1]):
pvc1 = np.zeros((ss1.saecv_sizes[iri1],), dtype=complex) pvc1 = np.zeros((ss1.saecv_sizes[iri1],), dtype=complex)
pvc1[j] = 1
fvcs1[y] = ss1.unpack_vector(pvc1, iri1) fvcs1[y] = ss1.unpack_vector(pvc1, iri1)
fvcs1[y] = cleanarray(nicerot(fvcs1[y], copy=False), copy=False) fvcs1[y] = cleanarray(nicerot(fvcs1[y], copy=False), copy=False)
driving_full[y] = (phases[:, None] * fvcs1[y][None,:]).flatten() driving_full[y] = (phases[:, None] * fvcs1[y][None,:]).flatten()
@ -148,16 +169,14 @@ t, l, m = bspec.tlm()
if not math.isnan(a.ccd_distance): if not math.isnan(a.ccd_distance):
logging.info("Computing the far fields") logging.info("Computing the far fields")
ccd_size = (20 * a.ccd_distance / (max(Nx*px, Ny*py) * ssw.wavenumber.real)) if math.isnan(a.ccd_size) else a.ccd_size ccd_size = (50 * a.ccd_distance / (max(Nx*px, Ny*py) * ssw.wavenumber.real)) if math.isnan(a.ccd_size) else a.ccd_size
ccd_x = np.linspace(-ccd_size/2, ccd_size/2, a.ccd_resolution) ccd_x = np.linspace(-ccd_size/2, ccd_size/2, a.ccd_resolution)
ccd_y = np.linspace(-ccd_size/2, ccd_size/2, a.ccd_resolution) ccd_y = np.linspace(-ccd_size/2, ccd_size/2, a.ccd_resolution)
ccd_grid = np.meshgrid(ccd_x, ccd_y, (a.ccd_distance,), indexing='ij') ccd_grid = np.meshgrid(ccd_x, ccd_y, (a.ccd_distance,), indexing='ij')
ccd_points = np.stack(ccd_grid, axis=-1).squeeze(axis=-2) ccd_points = np.stack(ccd_grid, axis=-1).squeeze(axis=-2)
print(ccd_points.shape)
ccd_fields = np.empty((nelem,) + ccd_points.shape, dtype=complex) ccd_fields = np.empty((nelem,) + ccd_points.shape, dtype=complex)
for y in range(nelem): for y in range(nelem):
ccd_fields[y] = ssw.scattered_E(scattered_full[y], ccd_points, btyp=BesselType.HANKEL_PLUS) ccd_fields[y] = ssw.scattered_E(scattered_full[y], ccd_points, btyp=BesselType.HANKEL_PLUS)
print(ccd_fields.shape)
logging.info("Far fields done") logging.info("Far fields done")
outfile = defaultprefix + ".npz" if a.output is None else a.output outfile = defaultprefix + ".npz" if a.output is None else a.output
@ -212,16 +231,18 @@ if a.plot or (a.plot_out is not None):
axes[0,4*yp+2].set_title("Fabs / %s,%d,%+d"%('E' if t[yp]==2 else 'M', l[yp], m[yp],)) axes[0,4*yp+2].set_title("Fabs / %s,%d,%+d"%('E' if t[yp]==2 else 'M', l[yp], m[yp],))
axes[0,4*yp+3].set_title("Farg / %s,%d,%+d"%('E' if t[yp]==2 else 'M', l[yp], m[yp],)) axes[0,4*yp+3].set_title("Farg / %s,%d,%+d"%('E' if t[yp]==2 else 'M', l[yp], m[yp],))
if not math.isnan(a.ccd_distance): if not math.isnan(a.ccd_distance):
axes[0,12].set_title("$E_{xy}$ @ $z = %g; \phi$" % a.ccd_distance) #axes[0,12].set_title("$E_{xy}$ @ $z = %g; \phi$" % a.ccd_distance)
axes[0,13].set_title("$E_{xy}$ @ $z = %g; \phi + \pi/2$" % a.ccd_distance) #axes[0,13].set_title("$E_{xy}$ @ $z = %g; \phi + \pi/2$" % a.ccd_distance)
axes[0,14].set_title("$E_{z}$ @ $z = %g$" % a.ccd_distance) axes[0,12].set_title("$|E_{x}|^2$ @ $z = %g\,\mathrm{m}$" % a.ccd_distance)
axes[0,13].set_title("$|E_{y}|^2$ @ $z = %g\,\mathrm{m}$" % a.ccd_distance)
axes[0,14].set_title("$|E_{z}|^2$ @ $z = %g\,\mathrm{m}$" % a.ccd_distance)
for y in range(nelem): for y in range(nelem):
fulvec = scattered_full[y] fulvec = scattered_full[y]
if a.symmetry_adapted is not None: if a.symmetry_adapted is not None:
driving_nonzero_y = [j for j in range(nelem) if abs(fvcs1[y,j]) > 1e-5] driving_nonzero_y = [j for j in range(nelem) if abs(fvcs1[y,j]) > 1e-5]
driving_descr = ss1.irrep_names[iris1[y]].join((str(fvcs[y,j]) + driving_descr = ss1.irrep_names[iris1[y]]+'\n'+', '.join(('$'+cplx_nicestr(fvcs1[y,j])+'$' +
"(%s, %d, %+d) " % (("E" if t[j] == 2 else "M"), l[j], m[j]) for j in "(%s,%d,%+d)" % (("E" if t[j] == 2 else "M"), l[j], m[j]) for j in
driving_nonzero_y)) # TODO shorten the complex number precision driving_nonzero_y)) # TODO shorten the complex number precision
else: else:
driving_descr = "%s,%d,%+d"%('E' if t[y]==2 else 'M', l[y], m[y],) driving_descr = "%s,%d,%+d"%('E' if t[y]==2 else 'M', l[y], m[y],)
@ -231,29 +252,29 @@ driving_nonzero_y)) # TODO shorten the complex number precision
lemax = np.amax(abs(vecgrid)) lemax = np.amax(abs(vecgrid))
for yp in range(0,3): for yp in range(0,3):
if(np.amax(abs(vecgrid[...,yp])) > lemax*1e-5): if(np.amax(abs(vecgrid[...,yp])) > lemax*1e-5):
axes[y,yp*4].imshow(abs(vecgrid[...,yp]), vmin=0) axes[y,yp*4].imshow(abs(vecgrid[...,yp]), vmin=0, interpolation='none')
axes[y,yp*4].text(0.5, 0.5, '%g' % np.amax(abs(vecgrid[...,yp])), horizontalalignment='center', verticalalignment='center', transform=axes[y,yp*4].transAxes) axes[y,yp*4].text(0.5, 0.5, '%g' % np.amax(abs(vecgrid[...,yp])), horizontalalignment='center', verticalalignment='center', transform=axes[y,yp*4].transAxes)
axes[y,yp*4+1].imshow(np.angle(vecgrid[...,yp]), vmin=-np.pi, vmax=np.pi, cmap=phasecm) axes[y,yp*4+1].imshow(np.angle(vecgrid[...,yp]), vmin=-np.pi, vmax=np.pi, cmap=phasecm, interpolation='none')
axes[y,yp*4+2].imshow(abs(vecgrid_ff[...,yp]), vmin=0) axes[y,yp*4+2].imshow(abs(vecgrid_ff[...,yp]), vmin=0, interpolation='none')
axes[y,yp*4+3].imshow(np.angle(vecgrid_ff[...,yp]), vmin=-np.pi, vmax=np.pi, cmap=phasecm) axes[y,yp*4+3].imshow(np.angle(vecgrid_ff[...,yp]), vmin=-np.pi, vmax=np.pi, cmap=phasecm, interpolation='none')
else: else:
for c in range(0,4): for c in range(0,4):
axes[y,yp*4+c].tick_params(bottom=False, left=False, labelbottom=False, labelleft=False) axes[y,yp*4+c].tick_params(bottom=False, left=False, labelbottom=False, labelleft=False)
if not math.isnan(a.ccd_distance): if not math.isnan(a.ccd_distance):
fxye=(-ccd_size/2, ccd_size/2, -ccd_size/2, ccd_size/2) fxye=(-ccd_size/2, ccd_size/2, -ccd_size/2, ccd_size/2)
e2vmax = np.amax(np.linalg.norm(ccd_fields[y], axis=-1)**2) e2vmax = np.amax(np.linalg.norm(ccd_fields[y], axis=-1)**2)
print(np.sum(abs(ccd_fields[y,...,:2].real)**2).shape) xint = abs(ccd_fields[y,...,0])**2
axes[y, 12].imshow(np.sum(abs(ccd_fields[y,...,:2].real)**2, axis=-1), yint = abs(ccd_fields[y,...,1])**2
origin="lower",vmax=e2vmax, extent=fxye, cmap=abscm) axes[y, 12].imshow(xint, origin="lower",vmax=e2vmax, extent=fxye, cmap=abscm, interpolation='none')
axes[y, 12].streamplot(ccd_points[...,1], ccd_points[...,0], axes[y, 13].imshow(yint, origin="lower",vmax=e2vmax, extent=fxye, cmap=abscm, interpolation='none')
ccd_fields[y,...,1].real, ccd_fields[y,...,0].real) #axes[y, 12].imshow(np.sum(abs(ccd_fields[y,...,:2].real)**2, axis=-1), origin="lower",vmax=e2vmax, extent=fxye, cmap=abscm)
axes[y, 13].imshow(np.sum(abs(ccd_fields[y,...,:2].imag)**2, axis=-1) , #axes[y, 12].quiver(ccd_points[...,1], ccd_points[...,0], ccd_fields[y,...,1].real, ccd_fields[y,...,0].real, color='w')
origin="lower",vmax=e2vmax, extent=fxye, cmap=abscm) #axes[y, 13].imshow(np.sum(abs(ccd_fields[y,...,:2].imag)**2, axis=-1) ,origin="lower",vmax=e2vmax, extent=fxye, cmap=abscm)
axes[y, 13].streamplot(ccd_points[...,1], ccd_points[...,0], #axes[y, 13].quiver(ccd_points[...,1], ccd_points[...,0],ccd_fields[y,...,1].imag, ccd_fields[y,...,0].imag, color='w')
ccd_fields[y,...,1].imag, ccd_fields[y,...,0].imag) zint = abs(ccd_fields[y,...,2])**2
zplot = abs(ccd_fields[y,...,2])**2 axes[y, 14].imshow(zint, origin='lower', extent=fxye, cmap=abscm, interpolation='none')
axes[y, 14].imshow(zplot, origin='lower', extent=fxye, cmap=abscm) axes[y, 14].text(0.5, 0.5, '%g' % (np.amax(zint)/e2vmax),
axes[y, 14].text(0.5, 0.5, '%g' % np.amax(zplot)/e2vmax, horizontalalignment='center', verticalalignment='center', transform=axes[y,14].transAxes) horizontalalignment='center', verticalalignment='center', transform=axes[y,14].transAxes)
plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out
fig.savefig(plotfile) fig.savefig(plotfile)