de89d3bc
 dmayerich
Initial commit.
|
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
|
#!/usr/bin/python
from mstm_materials import *
from mstm_parameters import *
from mstm_simparser import *
import time
import sys
#PyQt4 libraries
from PyQt4 import QtGui
from PyQt4 import QtCore
from PyQt4 import uic
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.spinNumSamples.setValue(self.params.nSamples)
self.ui.spinNumSpheres.setValue(int(self.params['number_spheres']))
#self.ui.spinAlpha.setValue(float(self.params['incident_azimuth_angle_deg']))
#self.ui.spinBeta.setValue(float(self.params['incident_polar_angle_deg']))
fi = QtCore.QFileInfo(self.params.matFilename)
self.ui.txtMaterial.setText(fi.baseName())
#update global parameters for the dimer simulation
self.ui.spinSpacing.setValue(d)
def getParams(self):
self.params.minLambda = self.ui.spinStartLambda.value()
self.params.maxLambda = self.ui.spinEndLambda.value()
self.params.nSamples = self.ui.spinNumSamples.value()
self.params.nSpheres = self.ui.spinNumSpheres.value()
self.params['incident_azimuth_angle_deg'] = self.ui.spinAlpha.value()
self.params['incident_polar_angle_deg'] = self.ui.spinBeta.value()
#global parameters for dimers
d = self.ui.spinSpacing.value()
return self.params
def simulate(self):
self.results = RunSimulation(self.params)
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 __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()
#simulation button
self.connect(self.ui.btnSimulate, QtCore.SIGNAL("clicked()"), self.simulate)
self.connect(self.ui.mnuSaveResults, QtCore.SIGNAL("triggered()"), self.saveresults)
self.connect(self.ui.mnuLoadMaterial, QtCore.SIGNAL("triggered()"), self.loadmaterial)
class ProgressBar(QtGui.QWidget):
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)
main_layout = QtGui.QGridLayout()
main_layout.addWidget(self.progressbar, 0, 0)
self.setLayout(main_layout)
self.setWindowTitle("Progress")
def update_progressbar(self, val):
self.progressbar.setValue(val)
def RunSimulation(parameters):
#load the material
material = MaterialClass(parameters.matFilename)
#add water if necessary
if parameters.inWater:
material.addSolution(1.33)
#set the parameters based on the UI
parameters = w.getParams()
#range for simulation
minLambda = parameters.minLambda
maxLambda = parameters.maxLambda
nSamples = parameters.nSamples
#store the simulation results
results = SimParserClass()
#create a progress bar
pbar = ProgressBar(total=nSamples)
pbar.show()
#for each wavelength in the material
for i in range(nSamples):
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.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('scriptParams.inp')
#run the binary
from subprocess import call
devnull = open('/dev/null', 'w')
call(["./ms-tmatrix", "scriptParams.inp"], stdout=devnull)
results.parseSimFile(l, 'test.dat')
#update the progress bar
pbar.update_progressbar(i+1)
#plot results of interest
import matplotlib.pyplot as plt
wl = results['lambda']
unpol = results['extinction_unpolarized']
para = results['extinction_parallel']
perp = results['extinction_perpendicular']
plt.plot(wl, unpol, 'r-', wl, para, 'g-', wl, perp, 'b-')
plt.ylabel('Extinction')
plt.xlabel('Wavelength (um)')
plt.show()
#return the results
return results;
#input template file name
inpFilename = 'msinput.inp'
#output spectral file name
outFilename = 'spectralOut.txt'
#sphere radii
a = 0.025
#distance between spheres
d = 0.002
#incident light directions
alpha = 0
beta = 0
gamma = 0
#results stored for each spectral sample
resultLabels = {'lambda', 'extinction_unpolarized', 'extinction_parallel', 'extinction_perpendicular'}
outFile = open(outFilename, 'w')
#number of characters in the progress bar
pb_max = 50
#create a Qt window
app = QtGui.QApplication(sys.argv)
w = GuiWindow()
sys.exit(app.exec_())
|
