xrt 1.5.0__zip → 1.6.1__zip

xrt-1.6.1/examples/withRaycing/01_SynchrotronSources/undulatorVortex.py

@@ -0,0 +1,372 @@
+# -*- coding: utf-8 -*-
+r"""
+.. _OAM-HelicalU:
+
+Orbital Angular Momentum of helical undulator radiation
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+The images below are produced by
+``\examples\withRaycing\01_SynchrotronSources\undulatorVortex.py``.
+
+This example calculates flux and Orbital Angular Momentum (OAM) of helical
+undulator radiation. The calculation is done on a 3D (energy, theta, psi) or 4D
+(energy, theta, psi, gamma) rectangular mesh for zero and true electron beam
+energy spread, respectively. To calculate OAM projection along the propagation
+direction, we first calculate *OAM intensity* :math:`I^l_s` for the field
+:math:`E_s`
+
+.. math::
+    I^l_s = E_s^* i\left(\psi\frac{\partial}{\partial\theta}-
+    \theta\frac{\partial}{\partial\psi}\right) E_s
+
+and similarly for the field :math:`E_p`. OAM intensity is an incoherent
+distribution, similarly to the "usual" intensity, as the phase information is
+lost in it, and therefore it is suitable for incoherent accumulation of fields
+originated from different electrons distributed within emittance and energy
+spread distributions. After averaging intensity and OAM intensity over electron
+beam energy spread distribution and convolving with electron beam angular
+distributions, we obtain *vorticity* – the averaged normalized OAM value:
+
+.. math::
+    l_s = \int I^l_s d\theta d\psi \bigg/ \int I_s d\theta d\psi
+
+and similarly for the field :math:`E_p`.
+
+The images below were calculated at the maximum flux energies at the 1st to 4th
+harmonics. As a reminder, the flux is maximized at energies slightly below the
+formal harmonic energies; at these energies the transverse distribution is of a
+donut shape. As a second reminder, the radiation from a helical undulator has
+only the first harmonic on the undulator axis but also has higher harmonics at
+finite observation angles.
+
+The coloring of the transverse images is done by field phase. For this purpose,
+the radiation field (here, :math:`E_s`) was *coherently* averaged over electron
+beam energy spread distribution and electron beam angular distributions. This
+operation is physically illegal but was used here only for the visual effect.
+The measurable values – intensity, flux and vorticity – were determined by the
+correct incoherent averaging. The image brightness represents intensity.
+
++--------------+------------------------+------------------------+
+|              |   zero emittance,      |   true emittance,      |
+|              |   zero energy spread   |   true energy spread   |
++==============+========================+========================+
+|   |resTxt|   |                 |U48results|                    |
++--------------+------------------------+------------------------+
+| 1st harmonic |      |U48Esh1-00|      |      |U48Esh1-ff|      |
++--------------+------------------------+------------------------+
+| 2nd harmonic |      |U48Esh2-00|      |      |U48Esh2-ff|      |
++--------------+------------------------+------------------------+
+| 3rd harmonic |      |U48Esh3-00|      |      |U48Esh3-ff|      |
++--------------+------------------------+------------------------+
+| 4th harmonic |      |U48Esh4-00|      |      |U48Esh4-ff|      |
++--------------+------------------------+------------------------+
+
+.. |resTxt| replace:: Flux and vorticity
+.. |U48results| imagezoom:: _images/U48-flux-vorticity.png
+   :align: center
+.. |U48Esh1-00| imagezoom:: _images/U48-00-Es-OAM-transverse-image-140-352.727eV.png
+.. |U48Esh1-ff| imagezoom:: _images/U48-ff-Es-OAM-transverse-image-140-352.727eV.png
+   :loc: upper-right-corner
+.. |U48Esh2-00| imagezoom:: _images/U48-00-Es-OAM-transverse-image-386-621.091eV.png
+.. |U48Esh2-ff| imagezoom:: _images/U48-ff-Es-OAM-transverse-image-386-621.091eV.png
+   :loc: upper-right-corner
+.. |U48Esh3-00| imagezoom:: _images/U48-00-Es-OAM-transverse-image-660-920.000eV.png
+.. |U48Esh3-ff| imagezoom:: _images/U48-ff-Es-OAM-transverse-image-660-920.000eV.png
+   :loc: upper-right-corner
+.. |U48Esh4-00| imagezoom:: _images/U48-00-Es-OAM-transverse-image-935-1220.000eV.png
+.. |U48Esh4-ff| imagezoom:: _images/U48-ff-Es-OAM-transverse-image-935-1220.000eV.png
+   :loc: upper-right-corner
+
+As expected, vorticity approximately equals the harmonic number minus one in
+the perfect case of zero emittance and zero energy spread. This pattern is
+quite strongly affected by electron beam energy spread. Emittance plays a much
+lesser role as the used angular acceptance is much bigger than the electron
+beam angular distributions (360 µrad vs 5.8 and 2.0 µrad rms).
+"""
+__author__ = "Konstantin Klementiev"
+__date__ = "22 Jan 2023"
+import os, sys; sys.path.append(os.path.join('..', '..', '..'))  # analysis:ignore
+import time
+import pickle
+import numpy as np
+import matplotlib as mpl
+import matplotlib.pyplot as plt
+
+# import xrt.backends.raycing as raycing
+import xrt.backends.raycing.sources as rs
+
+
+# APPLE II period 48 mm, Kx=Ky=2, ID length=4m
+period, n = 48., 83
+Kx = Ky = 2  # E1 = 356.1 eV
+
+prefix = 'U48-00'  # 0 emittance, 0 eSpread
+# prefix = 'U48-f0'  # true emittance, 0 eSpread
+# prefix = 'U48-ff'  # true emittance, true eSpread
+# also comment/uncomment right parameters in undulatorKwargs
+
+thetaMax, psiMax = 180e-6, 180e-6  # rad
+energy = np.linspace(200., 1400., 1101)
+imageEnergy = [352., 621., 919., 1220.]
+# energy = np.array(imageEnergy)
+imageIndex = np.searchsorted(energy, imageEnergy)
+
+Source = rs.Undulator
+undulatorKwargs = dict(
+    eE=3., eI=0.3,
+    betaX=9., betaZ=2.,  # m
+
+    eEpsilonX=0., eEpsilonZ=0.,
+    # eEpsilonX=0.300, eEpsilonZ=0.008,  # nmrad
+    eEspread=0.,
+    # eEspread=0.001,
+
+    period=period, n=n, Ky=Ky, Kx=Kx,
+
+    phaseDeg=90,
+    xPrimeMax=1e3*thetaMax, zPrimeMax=1e3*psiMax,  # mrad
+    xPrimeMaxAutoReduce=False,
+    zPrimeMaxAutoReduce=False,
+
+    # distE='BW',
+    eMin=energy[0], eMax=energy[-1],
+
+    targetOpenCL='GPU',
+    )
+
+
+def plot_flux(energy, flux, vorticity, distE='0.1%bw'):
+    fig = plt.figure(figsize=(6, 6))
+    ax = fig.add_subplot(111)
+    ax.set_xlabel(r'Energy (eV)')
+    if distE == '0.1%bw':
+        ylabel = r'Flux (ph/s/0.1%bw)'
+    elif distE == 'eV':
+        ylabel = r'Flux (ph/s/eV)'
+    ax.set_ylabel(ylabel)
+    if distE == '0.1%bw':
+        y = flux * energy * 1e-3
+    elif distE == 'eV':
+        y = flux
+    ax.plot(energy, y)
+    ax.set_ylim(0, None)
+    # fig.savefig(prefix+"-spectral-flux.png")
+
+
+def plot_results():
+    outName = "U48-00-grid_method.pickle"
+    with open(outName, 'rb') as f:
+        energy, flux00, vEss00 = pickle.load(f)[0:3]
+    outName = "U48-f0-grid_method.pickle"
+    with open(outName, 'rb') as f:
+        energy, fluxF0, vEssF0 = pickle.load(f)[0:3]
+    outName = "U48-ff-grid_method.pickle"
+    with open(outName, 'rb') as f:
+        energy, fluxFF, vEssFF = pickle.load(f)[0:3]
+
+    fig = plt.figure(figsize=(6, 4))
+    ax = fig.add_subplot(111)
+    ax.set_xlabel(r'Energy (eV)')
+    ax.set_ylabel(r'Flux (ph/s/0.1%bw)')
+    ax2 = ax.twinx()
+    ax2.set_ylabel(u'Vorticity')
+
+    y = flux00 * energy * 1e-3
+    ax.plot(energy, y, label='flux, 0 emittance, 0 eSpread')
+    y = fluxF0 * energy * 1e-3
+    ax.plot(energy, y, label='flux, true emittance, 0 eSpread')
+    y = fluxFF * energy * 1e-3
+    ax.plot(energy, y, label='flux, true emittance, true eSpread')
+    ax.set_ylim(0, None)
+    ax.legend(loc=(0., 0.78))
+
+    ax2.plot(energy, vEss00, '--', label='vorticity, 0 emittance, 0 eSpread')
+    ax2.plot(energy, vEssF0, '--', label='vorticity, true emittance, 0 eSpread')
+    ax2.plot(energy, vEssFF, '--', label='vorticity, true emittance, true eSpread')
+    ax2.set_ylim(0, 3.7)
+    ax2.legend(loc=(0., 0.56))
+    plt.tight_layout()
+
+    fig.savefig("flux-vorticity.png")
+    fig.savefig("flux-vorticity.pdf")
+    plt.show()
+
+
+def intensity_in_transverse_plane(ie, theta, psi, I0):
+    fig = plt.figure(figsize=(6, 6))
+    ax = fig.add_subplot(111)
+    ax.set_xlabel(r'θ (µrad)')
+    ax.set_ylabel(r'ψ (µrad)')
+    e = energy[ie]
+    ax.imshow(I0[:, :].T, origin="lower",
+              extent=[theta[0]*1e6, theta[-1]*1e6, psi[0]*1e6, psi[-1]*1e6])
+    ax.text(0.98, 0.98, '@E={0:.1f}eV'.format(e),
+            ha='right', va='top', color='white', transform=ax.transAxes)
+    fig.savefig(prefix+"-transverse-image-{0}-{1:.3f}eV.png".format(ie, e))
+    plt.close(fig)
+
+
+def colored_intensity_in_transverse_plane(energy, theta, psi, I0):
+    fig = plt.figure(figsize=(7, 6))
+    ax = fig.add_axes([0.15*6/7, 0.15, 0.7*6/7, 0.7])
+    ax.set_xlabel(r'θ (µrad)')
+    ax.set_ylabel(r'ψ (µrad)')
+    axC = fig.add_axes([0.95*6/7, 0.15, 0.05, 0.7])
+    plt.setp(axC.get_xticklabels(), visible=False)
+    axC.yaxis.set_label_position("right")
+    axC.yaxis.tick_right()
+    axC.set_xlim([0, 1])
+    axC.set_ylim([energy[0], energy[-1]])
+    axC.set_ylabel('energy (eV)')
+
+    hue, _, _ = np.meshgrid(energy, theta, psi, indexing='ij')
+    hue -= hue.min()
+    hue /= hue.max()
+    sat = np.ones_like(hue)
+    val = I0 / I0.max()
+    hsvI0 = np.stack((hue, sat, val), axis=3)  # (len(energy), ntheta, npsi, 3)
+    rgbI0 = mpl.colors.hsv_to_rgb(hsvI0)
+    rgbI0sum = rgbI0.sum(axis=0)
+    ax.imshow(np.swapaxes(rgbI0sum, 0, 1) / rgbI0sum.max(), origin="lower",
+              extent=[theta[0]*1e6, theta[-1]*1e6, psi[0]*1e6, psi[-1]*1e6])
+
+    hue = np.array(energy)[:, np.newaxis]
+    hue -= hue.min()
+    hue /= hue.max()
+    sat = np.ones_like(hue)
+    val = np.ones_like(hue)
+    hsvC = np.stack((hue, sat, val), axis=2)  # numpy1.10
+    rgbC = mpl.colors.hsv_to_rgb(hsvC)
+    axC.imshow(rgbC / rgbC.max(), aspect='auto', origin='lower',
+               extent=[0, 1, energy[0], energy[-1]])
+    fig.savefig(prefix+"-spectral-transverse-image.png")
+
+
+def colored_phase_in_transverse_plane(ie, theta, psi, I0, phase, vorticity,
+                                      fieldLabel):
+    fig = plt.figure(figsize=(7, 6))
+    ax = fig.add_axes([0.15*6/7, 0.15, 0.7*6/7, 0.7])
+    ax.set_xlabel(r'θ (µrad)')
+    ax.set_ylabel(r'ψ (µrad)')
+    e = energy[ie]
+    axC = fig.add_axes([0.95*6/7, 0.15, 0.05, 0.7])
+    plt.setp(axC.get_xticklabels(), visible=False)
+    axC.yaxis.set_label_position("right")
+    axC.yaxis.tick_right()
+    axC.set_xlim([0, 1])
+    axC.set_ylim([-1, 1])  # in units of pi
+    formatter = mpl.ticker.FormatStrFormatter('%g' + r'$ \pi$')
+    axC.yaxis.set_major_formatter(formatter)
+    axC.set_ylabel('phase')
+
+    val = I0 / I0.max()
+    sat = np.ones_like(val)
+    hue = (phase/np.pi + 1) * 0.5
+    hsvI0 = np.stack((hue, sat, val), axis=2)
+    rgbI0 = mpl.colors.hsv_to_rgb(hsvI0)  # (len(energy), ntheta, npsi, 3)
+    ax.imshow(np.swapaxes(rgbI0, 0, 1) / rgbI0.max(), origin="lower",
+              extent=[theta[0]*1e6, theta[-1]*1e6, psi[0]*1e6, psi[-1]*1e6])
+    ax.text(0, 1.01, '@E={0:.1f}eV'.format(e),
+            ha='left', va='bottom', color='k', transform=ax.transAxes)
+    ax.text(1, 1.01, '{0} vorticity={1:.2f}'.format(fieldLabel, vorticity),
+            ha='right', va='bottom', color='k', transform=ax.transAxes)
+
+    hue = np.linspace(-1, 1, 101)[:, np.newaxis]
+    hue -= hue.min()
+    hue /= hue.max()
+    sat = np.ones_like(hue)
+    val = np.ones_like(hue)
+    hsvC = np.stack((hue, sat, val), axis=2)  # numpy1.10
+    rgbC = mpl.colors.hsv_to_rgb(hsvC)
+    axC.imshow(rgbC / rgbC.max(), aspect='auto', origin='lower',
+               extent=[0, 1, -1, 1])
+
+    fig.savefig(prefix+"-{0}-OAM-transverse-image-{1}-{2:.3f}eV.png".format(
+        fieldLabel, ie, e))
+    plt.close(fig)
+
+
+def grid_method():
+    if undulatorKwargs['eEspread'] == 0:
+        ntheta, npsi = 801, 801
+        eSpreadNSamples = None
+    else:
+        ntheta, npsi = 251, 251
+        eSpreadNSamples = 41
+    dtheta, dpsi = 2*thetaMax/(ntheta-1), 2*psiMax/(npsi-1)
+
+    xprime = (undulatorKwargs['eEpsilonX']*1e-9/undulatorKwargs['betaX'])**0.5
+    zprime = (undulatorKwargs['eEpsilonZ']*1e-9/undulatorKwargs['betaZ'])**0.5
+    print(xprime, zprime)
+    marginFactorX = 6*xprime/thetaMax + 1  # ±3σ
+    marginFactorZ = 6*zprime/psiMax + 1  # ±3σ
+    # print(marginFactorX, marginFactorZ)
+    ntheta = int(ntheta*marginFactorX)
+    npsi = int(npsi*marginFactorZ)
+
+    thetaPlus = np.arange(ntheta)*dtheta
+    psiPlus = np.arange(npsi)*dpsi
+    thetaPlus -= thetaPlus[-1]*0.5
+    psiPlus -= psiPlus[-1]*0.5
+    whereTheta = (-thetaMax-1e-12 < thetaPlus) & (thetaPlus < thetaMax+1e-12)
+    wherePsi = (-psiMax-1e-12 < psiPlus) & (psiPlus < psiMax+1e-12)
+    theta = thetaPlus[whereTheta]
+    psi = psiPlus[wherePsi]
+
+    source = Source(**undulatorKwargs)
+    print('E1 = ', source.E1)
+
+    flux = np.zeros_like(energy)
+    vEss = np.zeros_like(energy)
+    vEps = np.zeros_like(energy)
+    I0stack = np.zeros((len(energy), len(theta), len(psi)))
+    for ie, e in enumerate(energy):
+        print(u'energy {0:.1f} eV, {1} of {2}'.format(e, ie+1, len(energy)))
+        Is, Ip, OAMs, OAMp, Es, Ep = source.intensities_on_mesh(
+            [e], thetaPlus, psiPlus, eSpreadNSamples=eSpreadNSamples,
+            resultKind='vortex')
+        fluxIs = np.trapz(np.trapz(
+            Is[0, whereTheta, :][:, wherePsi], psi), theta)
+        fluxIp = np.trapz(np.trapz(
+            Ip[0, whereTheta, :][:, wherePsi], psi), theta)
+        flux[ie] = fluxIs + fluxIp
+
+        lEs = OAMs[0, whereTheta, :][:, wherePsi] / fluxIs
+        lEp = OAMp[0, whereTheta, :][:, wherePsi] / fluxIp
+        vEs = np.trapz(np.trapz(lEs, psi), theta)
+        vEp = np.trapz(np.trapz(lEp, psi), theta)
+        vEss[ie] = vEs
+        vEps[ie] = vEp
+        print('vorticity: Es = {0}, Ep = {1}'.format(vEs, vEp))
+        I0 = (Is + Ip)[0, whereTheta, :][:, wherePsi]
+        I0stack[ie, :, :] = I0
+        if ie in imageIndex:
+            intensity_in_transverse_plane(ie, theta, psi, I0)
+            phEs = np.angle(Es[0, whereTheta, :][:, wherePsi])
+            phEp = np.angle(Ep[0, whereTheta, :][:, wherePsi])
+            colored_phase_in_transverse_plane(
+                ie, theta, psi, I0, phEs, vEs, 'Es')
+            colored_phase_in_transverse_plane(
+                ie, theta, psi, I0, phEp, vEp, 'Ep')
+
+    integrand = flux/energy*1e3 if source.distE == 'BW' else flux
+    totalPhPerS = np.trapz(integrand, energy)
+    print('total flux = {0:.3g} ph/s'.format(totalPhPerS))
+
+    dump = [energy, flux, vEss, vEps, totalPhPerS]
+    outName = prefix+"-grid_method.pickle"
+    with open(outName, 'wb') as f:
+        pickle.dump(dump, f, protocol=2)
+
+    plot_flux(energy, flux, vEs)
+    # colored_intensity_in_transverse_plane(energy, theta, psi, I0stack)
+    plt.show()
+
+
+if __name__ == '__main__':
+    t0 = time.time()
+    # raycing._VERBOSITY_ = 100
+
+    grid_method()  # first run this with 3 settings, see prefix
+    # plot_results()  # ... then this
+    print("Done in {0} s".format(time.time()-t0))

{xrt-1.5.0 → xrt-1.6.1}/examples/withRaycing/02_Balder_BL/__init__.py

@@ -16,8 +16,13 @@ Shown are i) intensity downstream of the filter and its energy spectrum and
 ii) absorbed power in the filter with its energy spectrum and power density
 isolines at 85% and 95% of the maximum.
 
-.. animation:: _images/filterThicknessI
-.. animation:: _images/filterThicknessP
++------------+------------+
+|  |filtTI|  |  |filtTP|  |
++------------+------------+
+
+.. |filtTI| animation:: _images/filterThicknessI
+.. |filtTP| animation:: _images/filterThicknessP
+   :loc: upper-right-corner
 
 White-beam collimating mirror at varying pitch angle
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -51,8 +56,13 @@ Bending of collimating mirror
 
 Shown are i) image downstream of the DCM and ii) image at the sample.
 
-.. animation:: _images/vcmR-DCM
-.. animation:: _images/vcmR-Sample
++-----------+-----------+
+|  |vcmR1|  |  |vcmR2|  |
++-----------+-----------+
+
+.. |vcmR1| animation:: _images/vcmR-DCM
+.. |vcmR2| animation:: _images/vcmR-Sample
+   :loc: upper-right-corner
 
 Bending of focusing mirror
 ~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -68,8 +78,12 @@ Both mirrors (collimating + focusing) at varying pitch angle
 The sagittal radius of the focusing toroid mirror is optimal at 2 mrad pitch
 angle.
 
-.. animation:: _images/pitch-Sample-3D
-.. animation:: _images/pitch-Sample
++---------------------+---------------------+
+|  |pitch-Sample-3D|  |  |pitch-Sample-2D|  |
++---------------------+---------------------+
+
+.. |pitch-Sample-3D| animation:: _images/pitch-Sample-3D
+.. |pitch-Sample-2D| animation:: _images/pitch-Sample
 
 .. _dmm:
 
@@ -82,6 +96,7 @@ Scanning of Double Crystal Monochromator
 
 .. |Si111| animation:: _images/Si111
 .. |Si311| animation:: _images/Si311
+   :loc: upper-right-corner
 
 Scanning of Double Multilayer Monochromator
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -98,5 +113,6 @@ tungsten layers on top of a silicon substrate.
 
 .. |MLfp| animation:: _images/multilayer_1stML
 .. |MLexit| animation:: _images/multilayer_afterDMM
+   :loc: upper-right-corner
 """
 pass

{xrt-1.5.0 → xrt-1.6.1}/examples/withRaycing/02_Balder_BL/traceDCMBalderBL.py

@@ -10,7 +10,7 @@ import xrt.runner as xrtr
 import xrt.backends.raycing.materials as rm
 import BalderBL
 
-showIn3D = True
+showIn3D = False
 BalderBL.showIn3D = showIn3D
 
 stripe = 'Si'

{xrt-1.5.0 → xrt-1.6.1}/examples/withRaycing/03_LaueMono/01_bentLaueSCM.py

@@ -3,7 +3,7 @@ __author__ = "Konstantin Klementiev, Roman Chernikov"
 __date__ = "08 Mar 2016"
 import os, sys; sys.path.append(os.path.join('..', '..', '..'))  # analysis:ignore
 import numpy as np
-#import matplotlib as mpl
+# import matplotlib as mpl
 
 import xrt.backends.raycing as raycing
 import xrt.backends.raycing.sources as rs
@@ -16,18 +16,26 @@ import xrt.plotter as xrtp
 import xrt.runner as xrtr
 
 showIn3D = False
-
-prefix = '01_BentLaueSCM'
-
-energies = [9e3, 1.6e4, 2.5e4, 3.6e4]
-radii = [1e3, 5e3, 25e3, 125e3, np.inf]
-dEOverE = [8e-2, 1.5e-2, 0.4e-2, 1.2e-3, 4e-4]  # @ radii
-ddEOverE = [1, 1.25, 2.5, 3.]  # @ energies
-#polarization = ['hor', 'vert', '+45', '-45', 'right', 'left', None]
+useTT = False  # elastically distorted crystal reflectivity or ideal crystal
+tOCL = "auto"
+
+prefix = '01_BentLaueSCM_{}'.format("withTT" if useTT else "geom")
+
+# energies = [9e3, 1.6e4, 2.5e4, 3.6e4]
+energies = [1.6e4, 3.6e4]
+# radii = [1e3, 5e3, 25e3, 125e3, np.inf]
+radii = [1e3, 25e3, np.inf]
+# dEOverE = [8e-2, 1.5e-2, 0.4e-2, 1.2e-3, 4e-4]  # @ radii
+dEOverE = [8e-2, 0.4e-2, 4e-4]  # @ radii
+# ddEOverE = [1, 1.25, 2.5, 3.]  # @ energies
+ddEOverE = [1.25, 3.]  # @ energies
+# polarization = ['hor', 'vert', '+45', '-45', 'right', 'left', None]
 polarization = 'hor',
+# asymmetries = [0, np.pi/12, np.pi/6]
+asymmetries = [0, np.pi/12]
 
-#crystalDiamond = rm.CrystalDiamond((1,1,1), 2.0592872, elements='C',
-siCrystal = rm.CrystalSi(hkl=(1, 1, 1), geom='Laue', t=0.2)
+# crystalDiamond = rm.CrystalDiamond((1,1,1), 2.0592872, elements='C',
+siCrystal = rm.CrystalSi(hkl=(1, 1, 1), geom='Laue', t=0.2, useTT=useTT)
 pLaueSCM = 1000.
 qLaueSCM = 100.
 limitsFSM = -8, 8
@@ -36,10 +44,12 @@ limitsFSM = -8, 8
 def build_beamline():
     beamLine = raycing.BeamLine(height=0)
     rs.GeometricSource(beamLine, 'GeometricSource', dx=3., dz=3.,
-                       dxprime=1.6e-4, distzprime=None)
+                       dxprime=1.6e-4, distzprime=None, nrays=250000)
     beamLine.fsm1 = rsc.Screen(beamLine, 'FSM1', (0, pLaueSCM - 100, 0))
     beamLine.laueSCM = roe.BentLaueCylinder(
-        beamLine, 'LaueSCM', (0, pLaueSCM, 0), material=(siCrystal,))
+        beamLine, 'LaueSCM', (0, pLaueSCM, 0), material=siCrystal,
+        # Note: with precisionOpenCL='float32' may not converge!
+        targetOpenCL=tOCL if useTT else None, precisionOpenCL='float64')
     beamLine.fsm2 = rsc.Screen(beamLine, 'FSM2', [0, pLaueSCM + qLaueSCM, 0])
     return beamLine
 
@@ -86,7 +96,7 @@ def define_plots(beamLine):
         ePos=1, title=beamLine.fsm2.name+'_E')
     plot2.caxis.invertAxis = True
     plot2.textPanel = plot2.fig.text(
-        0.88, 0.8, '', transform=plot2.fig.transFigure, size=14, color='r',
+        0.8, 0.75, '', transform=plot2.fig.transFigure, size=14, color='r',
         ha='center')
     plots.append(plot2)
 
@@ -99,7 +109,7 @@ def plot_generator(plots, beamLine):
         suffix = polar
         if suffix is None:
             suffix = 'none'
-        for iradius in range(5):
+        for iradius in range(len(radii)):
             radius = radii[iradius]
             beamLine.laueSCM.R = radius
             if radius == np.inf:
@@ -121,37 +131,39 @@ def plot_generator(plots, beamLine):
                 if plots:
                     plots[-1].yaxis.limits = fsm2z + limitsFSM[0], \
                         fsm2z + limitsFSM[1]
-                alpha = 0  # asymmetry angle:
-                pitch = np.pi/2 + theta0 + alpha
-                beamLine.laueSCM.pitch = pitch
-                beamLine.laueSCM.set_alpha(alpha)
-                for distE in 'flat', :  # 'lines':
-                    if distE == 'flat':
-                        beamLine.sources[0].energies = eAxisMin, eAxisMax
-                        sourcename = 'flat'
-                    elif distE == 'lines':
-                        beamLine.sources[0].energies = energy,
-                        sourcename = 'line'
-                    beamLine.sources[0].distE = distE
-                    for plot in plots:
-                        plot.caxis.offset = energy
-                        plot.caxis.limits = [eAxisMin, eAxisMax]
-                        fileName = '{0}_{1}_{2}_R={3}_{4:02.0f}keV_{5}'.\
-                            format(prefix, plot.title, suffix, radiusStr1,
-                                   energy * 1e-3, sourcename)
-                        plot.saveName = fileName + '.png'
-#                        plot.persistentName = fileName + '.pickle'
-                        try:
-                            plot.textPanel.set_text(
-                                u'{0}\n$R=${1}\n'.format('', radiusStr2))
-                        except:
-                            pass
-                    if showIn3D:
-                        beamLine.glowFrameName =\
-                            '{0}_{1}_R={2}_{3:02.0f}keV_{4}.jpg'.format(
-                                prefix, suffix, radiusStr1, energy*1e-3,
-                                sourcename)
-                    yield
+#                alpha = 0  # asymmetry angle:
+                for alpha in asymmetries:
+                    pitch = np.pi/2 + theta0 + alpha
+                    beamLine.laueSCM.pitch = pitch
+                    beamLine.laueSCM.alpha = alpha
+                    for distE in 'flat', :  # 'lines':
+                        if distE == 'flat':
+                            beamLine.sources[0].energies = eAxisMin, eAxisMax
+                            sourcename = 'flat'
+                        elif distE == 'lines':
+                            beamLine.sources[0].energies = energy,
+                            sourcename = 'line'
+                        beamLine.sources[0].distE = distE
+                        for plot in plots:
+                            plot.caxis.offset = energy
+                            plot.caxis.limits = [eAxisMin, eAxisMax]
+                            fileName = '{0}_{1}_{2}_R={3}_{4:02.0f}keV_a={6:02.0f}deg_{5}'.\
+                                format(prefix, plot.title, suffix, radiusStr1,
+                                       energy*1e-3, sourcename, np.degrees(alpha))
+                            plot.saveName = fileName + '.png'
+    #                        plot.persistentName = fileName + '.pickle'
+                            try:
+                                plot.textPanel.set_text(
+                                    u'{0}\n$R=${1} α={2:02.0f}°\n'.format(
+                                            '', radiusStr2, np.degrees(alpha)))
+                            except:
+                                pass
+                        if showIn3D:
+                            beamLine.glowFrameName =\
+                                '{0}_{1}_R={2}_{3:02.0f}keV_{4}.jpg'.format(
+                                    prefix, suffix, radiusStr1, energy*1e-3,
+                                    sourcename)
+                        yield
 
 
 def main():
@@ -162,8 +174,10 @@ def main():
         return
     plots = define_plots(beamLine)
     xrtr.run_ray_tracing(
-        plots, repeats=360, generator=plot_generator,
-        beamLine=beamLine, processes='half')
+        plots, repeats=20, generator=plot_generator,
+        beamLine=beamLine,
+        processes=1 if useTT else 'half'
+        )
 
 
 if __name__ == '__main__':

{xrt-1.5.0 → xrt-1.6.1}/examples/withRaycing/03_LaueMono/02_bentLaueDCM_RC.py

@@ -147,8 +147,8 @@ def plot_generator(plots, beamLine):
                 alpha = 0  # -theta0
                 pitch = math.pi/2 + theta0 + alpha
                 beamLine.laueDCM1.pitch = pitch
-                beamLine.laueDCM1.set_alpha(alpha)
-                beamLine.laueDCM2.set_alpha(alpha)
+                beamLine.laueDCM1.alpha = alpha
+                beamLine.laueDCM2.alpha = alpha
                 beamLine.laueDCM2.center[1] = pLaueDCM + fixedExit *\
                     math.cos(theta0 - alpha) / math.tan(2. * theta0)
                 for distE in 'flat', :  # 'lines':