From edf1d940db8f3ccae236b8fa02b3c7ecdd56a840 Mon Sep 17 00:00:00 2001 From: dmayerich Date: Wed, 10 Apr 2013 15:46:22 -0500 Subject: [PATCH] UI modifications and added more material files. --- CMakeLists.txt | 2 ++ etaSilverAnalytic.txt | 91 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ etaSilverPalik.txt | 244 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ mstm-gui.py | 561 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- mstm_guiwindow.ui | 10 ++++++++-- mstm_materials.py | 4 ++-- mstm_simparser.py | 2 +- 7 files changed, 647 insertions(+), 267 deletions(-) create mode 100755 etaSilverAnalytic.txt create mode 100755 etaSilverPalik.txt diff --git a/CMakeLists.txt b/CMakeLists.txt index 4f11e5b..e3fc7d0 100755 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -27,6 +27,8 @@ configure_file(cyl3000fvp5.pos ${CMAKE_CURRENT_BINARY_DIR}/cyl3000fvp5.pos @ONLY configure_file(cylslab3000.pos ${CMAKE_CURRENT_BINARY_DIR}/cylslab3000.pos @ONLY) configure_file(etaGold.txt ${CMAKE_CURRENT_BINARY_DIR}/etaGold.txt @ONLY) configure_file(etaSilver.txt ${CMAKE_CURRENT_BINARY_DIR}/etaSilver.txt @ONLY) +configure_file(etaSilverAnalytic.txt ${CMAKE_CURRENT_BINARY_DIR}/etaSilverAnalytic.txt @ONLY) +configure_file(etaSilverPalik.txt ${CMAKE_CURRENT_BINARY_DIR}/etaSilverPalik.txt @ONLY) configure_file(mstm_guiwindow.ui ${CMAKE_CURRENT_BINARY_DIR}/mstm_guiwindow.ui @ONLY) diff --git a/etaSilverAnalytic.txt b/etaSilverAnalytic.txt new file mode 100755 index 0000000..75e28cf --- /dev/null +++ b/etaSilverAnalytic.txt @@ -0,0 +1,91 @@ +lambda n k +0.0100000000000000 1.99874212285352 7.40160564289515e-07 +0.0200000000000000 1.99496373791465 5.93249304218415e-06 +0.0300000000000000 1.98865049436344 2.00856923709213e-05 +0.0400000000000000 1.97977816906083 4.78237796031694e-05 +0.0500000000000000 1.96831219444569 9.39496422498963e-05 +0.0600000000000000 1.95420696748117 0.000163516145663353 +0.0700000000000000 1.93740490652807 0.000261908274293207 +0.0800000000000000 1.91783520880517 0.000394940720131893 +0.0900000000000000 1.89541224242518 0.000568976766003941 +0.100000000000000 1.87003348167680 0.000791076435636021 +0.110000000000000 1.84157685895607 0.00106918505900473 +0.120000000000000 1.80989735642963 0.00141237821762450 +0.130000000000000 1.77482258702928 0.00183118647403141 +0.140000000000000 1.73614700450444 0.00233803504447199 +0.150000000000000 1.69362421378938 0.00294785264195312 +0.160000000000000 1.64695658740033 0.00367893559804121 +0.170000000000000 1.59578096190723 0.00455420855720960 +0.180000000000000 1.53964846170926 0.00560312245782817 +0.190000000000000 1.47799522295529 0.00686461815031610 +0.200000000000000 1.41009844732108 0.00839195805439517 +0.210000000000000 1.33500765672896 0.0102610243716721 +0.220000000000000 1.25143152158357 0.0125855176537332 +0.230000000000000 1.15753908229747 0.0155471652403854 +0.240000000000000 1.05057962634948 0.0194626090377881 +0.250000000000000 0.926065577974920 0.0249555548554986 +0.260000000000000 0.775684807682064 0.0335132110894466 +0.270000000000000 0.580193703304924 0.0501754876831495 +0.280000000000000 0.268709074846921 0.120825004070894 +0.290000000000000 0.0744887505624970 0.484239038793258 +0.300000000000000 0.0549251629349535 0.727009425670726 +0.310000000000000 0.0482298084669144 0.913498864267024 +0.320000000000000 0.0451717819368366 1.07278258652603 +0.330000000000000 0.0437226143632531 1.21549992488752 +0.340000000000000 0.0431530234438622 1.34689796418303 +0.350000000000000 0.0431304964260104 1.47000389708942 +0.360000000000000 0.0434799352355059 1.58674361280351 +0.370000000000000 0.0440996700890492 1.69842749464179 +0.380000000000000 0.0449263229086013 1.80599203432380 +0.390000000000000 0.0459181900705482 1.91013212769992 +0.400000000000000 0.0470466346082099 2.01137892751222 +0.410000000000000 0.0482913014138866 2.11014830644610 +0.420000000000000 0.0496373031388701 2.20677241771830 +0.430000000000000 0.0510734868153768 2.30152102443833 +0.440000000000000 0.0525913241260602 2.39461636853598 +0.450000000000000 0.0541841772767239 2.48624381273028 +0.460000000000000 0.0558467994703216 2.57655963175531 +0.470000000000000 0.0575749865868963 2.66569683000611 +0.480000000000000 0.0593653290240664 2.75376956130967 +0.490000000000000 0.0612150315026381 2.84087653848472 +0.500000000000000 0.0631217799867603 2.92710369970778 +0.510000000000000 0.0650836418940100 3.01252631934372 +0.520000000000000 0.0670989902343180 3.09721069752415 +0.530000000000000 0.0691664452177764 3.18121552613657 +0.540000000000000 0.0712848287962605 3.26459300330508 +0.550000000000000 0.0734531289050373 3.34738975027905 +0.560000000000000 0.0756704710652806 3.42964757155490 +0.570000000000000 0.0779360956333116 3.51140408949253 +0.580000000000000 0.0802493394251032 3.59269327761261 +0.590000000000000 0.0826096207624066 3.67354591146684 +0.600000000000000 0.0850164272178162 3.75398995196845 +0.610000000000000 0.0874693055058289 3.83405087301163 +0.620000000000000 0.0899678530930330 3.91375194285001 +0.630000000000000 0.0925117111951267 3.99311446687103 +0.640000000000000 0.0951005589000495 4.07215799796532 +0.650000000000000 0.0977341082111723 4.15090051955538 +0.660000000000000 0.100412099846559 4.22935860544490 +0.670000000000000 0.103134299662948 4.30754755992730 +0.680000000000000 0.105900495598587 4.38548154100979 +0.690000000000000 0.108710495049113 4.46317366913715 +0.700000000000000 0.111564122606523 4.54063612341488 +0.710000000000000 0.114461218103929 4.61788022701646 +0.720000000000000 0.117401634918919 4.69491652319959 +0.730000000000000 0.120385238496467 4.77175484314199 +0.740000000000000 0.123411905058980 4.84840436662883 +0.750000000000000 0.126481520476390 4.92487367647474 +0.760000000000000 0.129593979273616 5.00117080743895 +0.770000000000000 0.132749183756328 5.07730329028678 +0.780000000000000 0.135947043238885 5.15327819156209 +0.790000000000000 0.139187473360812 5.22910214956021 +0.800000000000000 0.142470395480209 5.30478140692704 +0.810000000000000 0.145795736134189 5.38032184025495 +0.820000000000000 0.149163426557888 5.45572898700022 +0.830000000000000 0.152573402254762 5.53100807000590 +0.840000000000000 0.156025602611934 5.60616401987992 +0.850000000000000 0.159519970555181 5.68120149544840 +0.860000000000000 0.163056452238887 5.75612490247800 +0.870000000000000 0.166634996766918 5.83093841083923 +0.880000000000000 0.170255555940882 5.90564597026278 +0.890000000000000 0.173918084032711 5.98025132482400 +0.900000000000000 0.177622537578868 6.05475802627589 diff --git a/etaSilverPalik.txt b/etaSilverPalik.txt new file mode 100755 index 0000000..2ffcab2 --- /dev/null +++ b/etaSilverPalik.txt @@ -0,0 +1,244 @@ +lambda n k +1.240E-4 0.9990 1.29E-6 +1.550E-4 1.000 2.92E-6 +2.066E-4 1.002 8.36E-6 +2.480E-4 1.001 1.52E-5 +2.755E-4 1.001 2.21E-5 +3.099E-4 1.003 3.57E-5 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import Patch from pylab import * class GuiWindow(QtGui.QMainWindow): - - params = ParameterClass('msinput.inp') - - def setParams(self): - #update the Gui based on values in the parameters structure - self.ui.spinStartLambda.setValue(self.params.minLambda) - self.ui.spinEndLambda.setValue(self.params.maxLambda) - self.ui.spinNearFieldLambda.setValue(self.params.snapshotLambda) - self.ui.spinNumSamples.setValue(self.params.nSamples) - self.ui.spinNumSpheres.setValue(int(self.params['number_spheres'])) - #near field stuff - self.ui.cmbPlaneSlice.setCurrentIndex(int(self.params['near_field_plane_coord']) - 1) - verts = self.params['near_field_plane_vertices'] - self.ui.spinNearFieldWidth.setValue(verts[2] - verts[0]) - self.ui.spinNearFieldHeight.setValue(verts[3] - verts[1]) - self.ui.spinNearFieldSteps.setValue(self.params.nSteps) - - fi = QtCore.QFileInfo(self.params.matFilename) - self.ui.txtMaterial.setText(fi.baseName()) - - #update global parameters for the dimer simulation - self.ui.spinSpacing.setValue(self.params.d) - self.ui.spinRadius.setValue(self.params.a) - - def getParams(self): - self.params.minLambda = self.ui.spinStartLambda.value() - self.params.maxLambda = self.ui.spinEndLambda.value() - self.params.snapshotLambda = self.ui.spinNearFieldLambda.value() - self.params.nSamples = self.ui.spinNumSamples.value() - self.params.nSpheres = self.ui.spinNumSpheres.value() - - #incident light properties - if self.ui.chkRandomOrientation.isChecked(): - self.params['fixed_or_random_orientation'] = 1 - else: - self.params['fixed_or_random_orientation'] = 0 - self.params['incident_azimuth_angle_deg'] = self.ui.spinAlpha.value() - self.params['incident_polar_angle_deg'] = self.ui.spinBeta.value() - self.params['polarization_angle_deg'] = self.ui.spinGamma.value() - - self.params.showOutput = self.ui.chkShowOutput.isChecked() - - self.params.inWater = self.ui.chkInWater.isChecked() - - - #near field - if self.ui.chkNearField.isChecked(): - self.params['calculate_near_field'] = 1 - else: - self.params['calculate_near_field'] = 0 - self.params['near_field_plane_coord'] = self.ui.cmbPlaneSlice.currentIndex() + 1 - width = (self.ui.spinNearFieldWidth.value()/2) - height = (self.ui.spinNearFieldHeight.value()/2) - self.params['near_field_plane_vertices'] = [-width, -height, width, height] - dx = self.ui.spinNearFieldWidth.value() / (self.ui.spinNearFieldSteps.value() - 1) - self.params['spacial_step_size'] = dx - - #global parameters for dimers - self.params.d = self.ui.spinSpacing.value() - self.params.a = self.ui.spinRadius.value() - - return self.params - - def simulate(self): - self.results = RunSimulation(True) - - #plot results of interest - wl = self.results['lambda'] - - if int(self.params['fixed_or_random_orientation']) == 0: - unpol = self.results['extinction_unpolarized'] - para = self.results['extinction_parallel'] - perp = self.results['extinction_perpendicular'] - plt.plot(wl, unpol, 'r-', label='unpolarized') - plt.plot(wl, para, 'g-', label='parallel') - plt.plot(wl, perp, 'b-', label='perpendicular') - else: - total = self.results['extinction_total'] - plt.plot(wl, total, 'r-', label='extinction') - - #plot the near field maximum values if available - - if self.params['calculate_near_field']: - maxima = self.results.maxNearField - print(len(wl)) - print(len(maxima)) - plt.plot(wl, maxima) - - - - plt.legend(loc = 'upper left') - plt.ylabel('Extinction') - plt.xlabel('Wavelength (um)') - plt.show() - - def func3(self, x,y): - return (1- x/2 + x**5 + y**3)*exp(-x**2-y**2) - - def snapshot(self): - - self.results = RunSimulation(False) - - if self.params['calculate_near_field']: - #verts = self.params['near_field_plane_vertices'] - #dx = (verts[2] - verts[0])/(self.params.nSteps) - #x = arange(verts[0], verts[2], dx) - #print(len(x)) - #y = arange(verts[1], verts[3], dx) - #X, Y = meshgrid(x, y) - E = array(self.results.gridNearField) - #pcolor(X, Y, E, cmap=cm.RdBu) - #colorbar() - #axis([verts[0], verts[2], verts[1], verts[3]]) - - pcolor(E, cmap=cm.RdBu) - colorbar() - - # make these smaller to increase the resolution - #dx, dy = 0.05, 0.05 - - #x = arange(-3.0, 3.0001, dx) - #y = arange(-3.0, 3.0001, dy) - #X,Y = meshgrid(x, y) - - #Z = self.func3(X, Y) - #pcolor(X, Y, Z, cmap=cm.RdBu, vmax=abs(Z).max(), vmin=-abs(Z).max()) - #colorbar() - #axis([-3,3,-3,3]) - - show() - - def saveresults(self): - fileName = QtGui.QFileDialog.getSaveFileName(w, 'Save Spectral Results', '', 'DAT data files (*.dat)') - if fileName: - self.results.saveFile(fileName) - - def loadmaterial(self): - fileName = QtGui.QFileDialog.getOpenFileName(w, 'Load Material Refractive Index', '', 'TXT data files (*.txt)') - if fileName: - self.params.matFilename = fileName - - fi = QtCore.QFileInfo(fileName) - self.ui.txtMaterial.setText(fi.baseName()) - - def spherenum(self, i): - self.ui.tblSpheres.setRowCount(i) - print(i) - - def __init__(self): - QtGui.QWidget.__init__(self) - - #dimer-specific settings - self.params['number_spheres'] = 2 - self.params['sphere_position_file'] = '' - - #load the UI window - self.ui = uic.loadUi('mstm_guiwindow.ui') - #update the displayed parameters - self.setParams() - #display the UI - self.ui.show() - - #controls - self.connect(self.ui.btnSimulate, QtCore.SIGNAL("clicked()"), self.simulate) - self.connect(self.ui.btnEvaluateNearField, QtCore.SIGNAL("clicked()"), self.snapshot) - self.connect(self.ui.mnuSaveResults, QtCore.SIGNAL("triggered()"), self.saveresults) - self.connect(self.ui.mnuLoadMaterial, QtCore.SIGNAL("triggered()"), self.loadmaterial) - self.connect(self.ui.spinNumSpheres, QtCore.SIGNAL("valueChanged(int)"), self.spherenum) + + params = ParameterClass('msinput.inp') + + def setParams(self): + #update the Gui based on values in the parameters structure + self.ui.spinStartLambda.setValue(self.params.minLambda) + self.ui.spinEndLambda.setValue(self.params.maxLambda) + self.ui.spinNearFieldLambda.setValue(self.params.snapshotLambda) + self.ui.spinNumSamples.setValue(self.params.nSamples) + self.ui.spinNumSpheres.setValue(int(self.params['number_spheres'])) + #near field stuff + self.ui.cmbPlaneSlice.setCurrentIndex(int(self.params['near_field_plane_coord']) - 1) + verts = self.params['near_field_plane_vertices'] + self.ui.spinNearFieldWidth.setValue(verts[2] - verts[0]) + self.ui.spinNearFieldHeight.setValue(verts[3] - verts[1]) + self.ui.spinNearFieldSteps.setValue(self.params.nSteps) + + fi = QtCore.QFileInfo(self.params.matFilename) + self.ui.txtMaterial.setText(fi.baseName()) + + #update global parameters for the dimer simulation + self.ui.spinSpacing.setValue(self.params.d) + self.ui.spinRadius.setValue(self.params.a) + + def getParams(self): + self.params.minLambda = self.ui.spinStartLambda.value() + self.params.maxLambda = self.ui.spinEndLambda.value() + self.params.snapshotLambda = self.ui.spinNearFieldLambda.value() + self.params.nSamples = self.ui.spinNumSamples.value() + self.params['number_spheres'] = self.ui.spinNumSpheres.value() + + #incident light properties + if self.ui.chkRandomOrientation.isChecked(): + self.params['fixed_or_random_orientation'] = 1 + else: + self.params['fixed_or_random_orientation'] = 0 + self.params['incident_azimuth_angle_deg'] = self.ui.spinAlpha.value() + self.params['incident_polar_angle_deg'] = self.ui.spinBeta.value() + self.params['polarization_angle_deg'] = self.ui.spinGamma.value() + + self.params.showOutput = self.ui.chkShowOutput.isChecked() + self.params.inWater = self.ui.chkInWater.isChecked() + + + #near field + if self.ui.chkNearField.isChecked(): + self.params['calculate_near_field'] = 1 + else: + self.params['calculate_near_field'] = 0 + self.params['near_field_plane_coord'] = self.ui.cmbPlaneSlice.currentIndex() + 1 + width = (self.ui.spinNearFieldWidth.value()/2) + height = (self.ui.spinNearFieldHeight.value()/2) + self.params['near_field_plane_vertices'] = [-width, -height, width, height] + dx = self.ui.spinNearFieldWidth.value() / (self.ui.spinNearFieldSteps.value() - 1) + self.params['spacial_step_size'] = dx + + #global parameters for dimers + self.params.d = self.ui.spinSpacing.value() + self.params.a = self.ui.spinRadius.value() + + #get the spheres from the table + nSpheres = self.ui.tblSpheres.rowCount() + print("Row count: " + str(nSpheres)) + print("Orientatino: " + str(self.params['fixed_or_random_orientation'])) + + self.params.sphereList = [] + for s in range(nSpheres): + a = float(self.ui.tblSpheres.item(s, 0).text()) + x = float(self.ui.tblSpheres.item(s, 1).text()) + y = float(self.ui.tblSpheres.item(s, 2).text()) + z = float(self.ui.tblSpheres.item(s, 3).text()) + self.params.addSphere(a, x, y, z) + + return self.params + + def simulate(self): + self.results = RunSimulation(True) + + #plot results of interest + wl = self.results['lambda'] + + if int(self.params['fixed_or_random_orientation']) == 0: + unpol = self.results['extinction_unpolarized'] + para = self.results['extinction_parallel'] + perp = self.results['extinction_perpendicular'] + plt.plot(wl, unpol, 'r-', label='unpolarized') + plt.plot(wl, para, 'g-', label='parallel') + plt.plot(wl, perp, 'b-', label='perpendicular') + else: + total = self.results['extinction_total'] + plt.plot(wl, total, 'r-', label='extinction') + + #plot the near field maximum values if available + + if self.params['calculate_near_field']: + maxima = self.results.maxNearField + print(len(wl)) + print(len(maxima)) + plt.plot(wl, maxima) + + + + plt.legend(loc = 'upper left') + plt.ylabel('Extinction') + plt.xlabel('Wavelength (um)') + plt.show() + + def func3(self, x,y): + return (1- x/2 + x**5 + y**3)*exp(-x**2-y**2) + + def snapshot(self): + + self.results = RunSimulation(False) + + if self.params['calculate_near_field']: + #verts = self.params['near_field_plane_vertices'] + #dx = (verts[2] - verts[0])/(self.params.nSteps) + #x = arange(verts[0], verts[2], dx) + #print(len(x)) + #y = arange(verts[1], verts[3], dx) + #X, Y = meshgrid(x, y) + E = array(self.results.gridNearField) + #pcolor(X, Y, E, cmap=cm.RdBu) + #colorbar() + #axis([verts[0], verts[2], verts[1], verts[3]]) + + pcolor(E, cmap=cm.RdBu) + colorbar() + print("Maximum enhancement: " + str(abs(E).max())) + + # make these smaller to increase the resolution + #dx, dy = 0.05, 0.05 + + #x = arange(-3.0, 3.0001, dx) + #y = arange(-3.0, 3.0001, dy) + #X,Y = meshgrid(x, y) + + #Z = self.func3(X, Y) + #pcolor(X, Y, Z, cmap=cm.RdBu, vmax=abs(Z).max(), vmin=-abs(Z).max()) + #colorbar() + #axis([-3,3,-3,3]) + + show() + + def saveresults(self): + fileName = QtGui.QFileDialog.getSaveFileName(w, 'Save Spectral Results', '', 'DAT data files (*.dat)') + if fileName: + self.results.saveFile(fileName) + + def loadmaterial(self): + fileName = QtGui.QFileDialog.getOpenFileName(w, 'Load Material Refractive Index', '', 'TXT data files (*.txt)') + if fileName: + self.params.matFilename = fileName + + fi = QtCore.QFileInfo(fileName) + self.ui.txtMaterial.setText(fi.baseName()) + + def spherenum(self, i): + self.ui.tblSpheres.setRowCount(i) + print(i) + + def updatedimers(self): + + d = self.ui.spinSpacing.value() + a = self.ui.spinRadius.value() + + self.ui.tblSpheres.setItem(0, 0, QtGui.QTableWidgetItem(str(a))) + self.ui.tblSpheres.setItem(0, 1, QtGui.QTableWidgetItem(str(-(d + 2*a)/2))) + self.ui.tblSpheres.setItem(0, 2, QtGui.QTableWidgetItem(str(0.0))) + self.ui.tblSpheres.setItem(0, 3, QtGui.QTableWidgetItem(str(0.0))) + + self.ui.tblSpheres.setItem(1, 0, QtGui.QTableWidgetItem(str(a))) + self.ui.tblSpheres.setItem(1, 1, QtGui.QTableWidgetItem(str((d + 2*a)/2))) + self.ui.tblSpheres.setItem(1, 2, QtGui.QTableWidgetItem(str(0.0))) + self.ui.tblSpheres.setItem(1, 3, QtGui.QTableWidgetItem(str(0.0))) + + + def __init__(self): + QtGui.QWidget.__init__(self) + + #dimer-specific settings + self.params['number_spheres'] = 2 + self.params['sphere_position_file'] = '' + + #load the UI window + self.ui = uic.loadUi('mstm_guiwindow.ui') + + + + #controls + self.connect(self.ui.btnSimulate, QtCore.SIGNAL("clicked()"), self.simulate) + self.connect(self.ui.btnEvaluateNearField, QtCore.SIGNAL("clicked()"), self.snapshot) + self.connect(self.ui.mnuSaveResults, QtCore.SIGNAL("triggered()"), self.saveresults) + self.connect(self.ui.mnuLoadMaterial, QtCore.SIGNAL("triggered()"), self.loadmaterial) + self.connect(self.ui.spinNumSpheres, QtCore.SIGNAL("valueChanged(int)"), self.spherenum) + self.connect(self.ui.spinRadius, QtCore.SIGNAL("valueChanged(double)"), self.updatedimers) + self.connect(self.ui.spinSpacing, QtCore.SIGNAL("valueChanged(double)"), self.updatedimers) + + #update the displayed parameters + self.setParams() + + #update the sphere table with the default dimer values + self.updatedimers() + + #display the UI + self.ui.show() class ProgressBar(QtGui.QWidget): - def __init__(self, parent=None, total=20): - super(ProgressBar, self).__init__(parent) - self.name_line = QtGui.QLineEdit() + def __init__(self, parent=None, total=20): + super(ProgressBar, self).__init__(parent) + self.name_line = QtGui.QLineEdit() - self.progressbar = QtGui.QProgressBar() - self.progressbar.setMinimum(1) - self.progressbar.setMaximum(total) + self.progressbar = QtGui.QProgressBar() + self.progressbar.setMinimum(1) + self.progressbar.setMaximum(total) - main_layout = QtGui.QGridLayout() - main_layout.addWidget(self.progressbar, 0, 0) + main_layout = QtGui.QGridLayout() + main_layout.addWidget(self.progressbar, 0, 0) - self.setLayout(main_layout) - self.setWindowTitle("Progress") + self.setLayout(main_layout) + self.setWindowTitle("Progress") - def update_progressbar(self, val): - self.progressbar.setValue(val) - + def update_progressbar(self, val): + self.progressbar.setValue(val) + def RunSimulation(spectralSim = True): - - #set the parameters based on the UI - parameters = w.getParams() - - - - #load the material - material = MaterialClass(parameters.matFilename) - - #add water if necessary - if parameters.inWater: - material.addSolution(1.33) - - #for a spectral simulation, set the range and number of samples - if spectralSim: - minLambda = parameters.minLambda - maxLambda = parameters.maxLambda - nSamples = parameters.nSamples - else: - minLambda = parameters.snapshotLambda - maxLambda = parameters.snapshotLambda - nSamples = 1 - - #store the simulation results - results = SimParserClass(parameters) - - #create a progress bar - pbar = ProgressBar(total=nSamples) - pbar.show() - - #for each wavelength in the material - for i in range(nSamples): - - if i == 0: - l = minLambda - else: - l = minLambda + i*(maxLambda - minLambda)/(nSamples - 1) - - - - #set the computed parameters - m = material[l] - n = m.n - parameters['real_ref_index_scale_factor'] = n.real - parameters['imag_ref_index_scale_factor'] = n.imag - parameters['length_scale_factor'] = (2.0 * 3.14159)/l - parameters['scattering_plane_angle_deg'] = gamma; - parameters['near_field_output_data'] = 0 - - a = parameters.a; - d = parameters.d; - parameters.clearSpheres() - parameters.addSphere(a, -(d + 2*a)/2, 0, 0) - parameters.addSphere(a, (d + 2*a)/2, 0, 0) - - #save the scripted input file - parameters.saveFile(l, 'scriptParams.inp') - - #run the binary - from subprocess import call - if parameters.showOutput: - call(["./ms-tmatrix", "scriptParams.inp"]) - else: - devnull = open('/dev/null', 'w') - call(["./ms-tmatrix", "scriptParams.inp"], stdout=devnull) - - #parse the simulation results - results.parseSimFile(l, 'test.dat') - - if parameters['calculate_near_field']: - results.parseNearField('nf-temp.dat') - - - #update the progress bar - pbar.update_progressbar(i+1) - - #return the results - return results; - - - + + #set the parameters based on the UI + parameters = w.getParams() + + + + #load the material + material = MaterialClass(parameters.matFilename) + + #add water if necessary + if parameters.inWater: + material.addSolution(1.33) + + #for a spectral simulation, set the range and number of samples + if spectralSim: + minLambda = parameters.minLambda + maxLambda = parameters.maxLambda + nSamples = parameters.nSamples + else: + minLambda = parameters.snapshotLambda + maxLambda = parameters.snapshotLambda + nSamples = 1 + + #store the simulation results + results = SimParserClass(parameters) + + #create a progress bar + pbar = ProgressBar(total=nSamples) + pbar.show() + + #for each wavelength in the material + for i in range(nSamples): + + if i == 0: + l = minLambda + else: + l = minLambda + i*(maxLambda - minLambda)/(nSamples - 1) + + #set the computed parameters + m = material[l] + n = m.n + parameters['real_ref_index_scale_factor'] = n.real + parameters['imag_ref_index_scale_factor'] = n.imag + parameters['length_scale_factor'] = (2.0 * 3.14159)/l + parameters['scattering_plane_angle_deg'] = gamma; + parameters['near_field_output_data'] = 0 + #parameters['number_spheres'] = 1 + + #a = parameters.a; + #d = parameters.d; + #parameters.clearSpheres() + #parameters.addSphere(a, -(d + 2*a)/2, 0, 0) + #parameters.addSphere(a, (d + 2*a)/2, 0, 0) + + #save the scripted input file + parameters.saveFile(l, 'scriptParams.inp') + + #run the binary + from subprocess import call + if parameters.showOutput: + call(["./ms-tmatrix", "scriptParams.inp"]) + else: + devnull = open('/dev/null', 'w') + call(["./ms-tmatrix", "scriptParams.inp"], stdout=devnull) + + #parse the simulation results + results.parseSimFile(l, 'test.dat') + + if parameters['calculate_near_field']: + results.parseNearField('nf-temp.dat') + + + #update the progress bar + pbar.update_progressbar(i+1) + + #return the results + return results; + + + diff --git a/mstm_guiwindow.ui b/mstm_guiwindow.ui index c132e51..aed2101 100755 --- a/mstm_guiwindow.ui +++ b/mstm_guiwindow.ui @@ -651,6 +651,12 @@ 22 + + 3 + + + 0.001000000000000 + @@ -679,7 +685,7 @@ - 89 + 80 30 @@ -691,7 +697,7 @@ - pX + x diff --git a/mstm_materials.py b/mstm_materials.py index 6b3e945..712e5fe 100755 --- a/mstm_materials.py +++ b/mstm_materials.py @@ -80,11 +80,11 @@ class MaterialClass: #open the real refractive index file irFID = open(fileName, 'r') #read the first line to get the units (wavelength (um) or wavenumber (cm^2)) - lightUnits = irFID.readline().split('\t', 1)[0] + lightUnits = irFID.readline().split()[0] #load the material for line in irFID: - l, n, k = map(float, line.split("\t")) + l, n, k = map(float, line.split()) #if units are in wavenumber, convert to wavelength if lightUnits == "nu": diff --git a/mstm_simparser.py b/mstm_simparser.py index a3656ee..9babb7d 100755 --- a/mstm_simparser.py +++ b/mstm_simparser.py @@ -82,7 +82,7 @@ class SimParserClass: self.gridNearField[y].append(values[2]) E = array(self.gridNearField) - self.maxNearField.append(pow(E.max(), 2)) + self.maxNearField.append(abs(E).max()) def saveFile(self, fileName): -- libgit2 0.21.4