Additional UI changes.

dmayerich
1 parent 025f38a0
Showing 5 changed files with 127 additions and 56 deletions Show diff stats
mstm-gui.py
mstm_guiwindow.ui
mstm_materials.py
mstm_parameters.py
mstm_simparser.py
@@ -11,6 +11,9 @@ from PyQt4 import QtGui
 from PyQt4 import QtCore
 from PyQt4 import uic
+#Matplotlib libraries
+import matplotlib.pyplot as plt
+
 class GuiWindow(QtGui.QMainWindow):
     params = ParameterClass('msinput.inp')
@@ -21,8 +24,6 @@ class GuiWindow(QtGui.QMainWindow):
         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())
@@ -37,6 +38,12 @@ class GuiWindow(QtGui.QMainWindow):
         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()
+        self.params.showOutput = self.ui.chkShowOutput.isChecked()
+        self.params.inWater = self.ui.chkInWater.isChecked()
+        if self.ui.chkRandomOrientation.isChecked():
+            self.params['fixed_or_random_orientation'] = 1
+        else:
+            self.params['fixed_or_random_orientation'] = 0
         #global parameters for dimers
@@ -45,7 +52,26 @@ class GuiWindow(QtGui.QMainWindow):
         return self.params
     def simulate(self):
-        self.results = RunSimulation(self.params)
+        self.results = RunSimulation()
+        
+        #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')
+        
+        plt.legend(loc = 'upper left')
+        plt.ylabel('Extinction')
+        plt.xlabel('Wavelength (um)')
+        plt.show()
     def saveresults(self):
         fileName = QtGui.QFileDialog.getSaveFileName(w, 'Save Spectral Results', '', 'DAT data files (*.dat)')        
@@ -98,7 +124,12 @@ class ProgressBar(QtGui.QWidget):
         self.progressbar.setValue(val)
-def RunSimulation(parameters):
+def RunSimulation():
+    
+    #set the parameters based on the UI
+    parameters = w.getParams()
+    
+    
     #load the material
     material = MaterialClass(parameters.matFilename)
@@ -106,17 +137,14 @@ def RunSimulation(parameters):
     #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()
+    results = SimParserClass(parameters)
     #create a progress bar
     pbar = ProgressBar(total=nSamples)
@@ -136,6 +164,8 @@ def RunSimulation(parameters):
         parameters['imag_ref_index_scale_factor'] = n.imag
         parameters['length_scale_factor'] = (2.0 * 3.14159)/l
         parameters['scattering_plane_angle_deg'] = gamma;
+        #parameters['fixed_or_random_orientation'] = 0
+        #print(parameters['fixed_or_random_orientation'])
         parameters.clearSpheres()
@@ -147,25 +177,17 @@ def RunSimulation(parameters):
         #run the binary
         from subprocess import call
-        devnull = open('/dev/null', 'w')
-        call(["./ms-tmatrix",  "scriptParams.inp"], stdout=devnull)
+        if parameters.showOutput:
+            call(["./ms-tmatrix",  "scriptParams.inp"])
+        else:            
+            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()
+        print(i+1)
     #return the results
     return results;
@@ -175,12 +197,6 @@ def RunSimulation(parameters):
-#input template file name
-inpFilename = 'msinput.inp'
-
-#output spectral file name
-outFilename = 'spectralOut.txt'
-
 #sphere radii
 a = 0.025
 #distance between spheres
@@ -193,17 +209,6 @@ 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()
@@ -93,6 +93,9 @@
        <height>22</height>
       </rect>
      </property>
+     <property name="maximum">
+      <number>9999</number>
+     </property>
     </widget>
     <widget class="QLabel" name="label_3">
      <property name="geometry">
@@ -155,6 +158,19 @@
       <double>0.100000000000000</double>
      </property>
     </widget>
+    <widget class="QCheckBox" name="chkRandomOrientation">
+     <property name="geometry">
+      <rect>
+       <x>190</x>
+       <y>60</y>
+       <width>161</width>
+       <height>19</height>
+      </rect>
+     </property>
+     <property name="text">
+      <string>Random Orientation</string>
+     </property>
+    </widget>
    </widget>
    <widget class="QGroupBox" name="groupBox_2">
     <property name="geometry">
@@ -320,6 +336,32 @@
      </property>
     </widget>
    </widget>
+   <widget class="QCheckBox" name="chkShowOutput">
+    <property name="geometry">
+     <rect>
+      <x>400</x>
+      <y>120</y>
+      <width>131</width>
+      <height>19</height>
+     </rect>
+    </property>
+    <property name="text">
+     <string>MS-TM output</string>
+    </property>
+   </widget>
+   <widget class="QCheckBox" name="chkInWater">
+    <property name="geometry">
+     <rect>
+      <x>350</x>
+      <y>20</y>
+      <width>83</width>
+      <height>19</height>
+     </rect>
+    </property>
+    <property name="text">
+     <string>in water</string>
+    </property>
+   </widget>
   </widget>
   <widget class="QMenuBar" name="menubar">
    <property name="geometry">
@@ -15,9 +15,10 @@ class MaterialClass:
     materialList = []
     def __init__(self, fileName=""):
-        if fileName == "":
-            materialList = []
-        else:
+        
+        self.materialList = []
+        
+        if fileName != "":
             self.loadFile(fileName)
     #when the material is cast to a string, create the list of refractive indices
@@ -9,6 +9,9 @@ class ParameterClass:
     matFilename = 'etaSilver.txt'
     #are the sphere's in water?
     inWater = False
+    
+    #show console output from the MS-TM FORTRAN program
+    showOutput = False
     paramDict = {}
     sphereList = []
@@ -2,34 +2,54 @@ class SimParserClass:
     simResults = dict()
-    def __init__(self):
-        self.simResults['lambda'] = list()
+    def __init__(self, parameters):
+        
+        self.params = parameters;
+        
+        self.simResults['lambda'] = list()      
+
         self.simResults['extinction_unpolarized'] = list()
         self.simResults['extinction_parallel'] = list()
         self.simResults['extinction_perpendicular'] = list()
+        self.simResults['extinction_total'] = list()
+            
+            
     def parseSimFile(self, l, fileName):
         self.simResults['lambda'].append(l)
         inFile = open(fileName, 'r')
+        
         while True:
+            
             line = inFile.readline().strip()
-            if line == 'scattering matrix elements':
-                break
-            elif line == 'unpolarized total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm':
-                values = inFile.readline().strip().split(' ')
-                self.simResults['extinction_unpolarized'].append(values[0])
-            elif line == 'parallel total ext, abs, scat efficiencies':
-                values = inFile.readline().strip().split(' ')
-                self.simResults['extinction_parallel'].append(values[0])
-            elif line == 'perpendicular total ext, abs, scat efficiencies':
-                values = inFile.readline().strip().split(' ')
-                self.simResults['extinction_perpendicular'].append(values[0])
+            if int(self.params['fixed_or_random_orientation']) == 0:
+                if line == 'scattering matrix elements':
+                    break
+                elif line == 'unpolarized total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm':
+                    values = inFile.readline().strip().split(' ')
+                    self.simResults['extinction_unpolarized'].append(values[0])
+                elif line == 'parallel total ext, abs, scat efficiencies':
+                    values = inFile.readline().strip().split(' ')
+                    self.simResults['extinction_parallel'].append(values[0])
+                elif line == 'perpendicular total ext, abs, scat efficiencies':
+                    values = inFile.readline().strip().split(' ')
+                    self.simResults['extinction_perpendicular'].append(values[0])
+            
+            else:
+                #print('making it here')
+                #print(self.params['fixed_or_random_orientation'])
+                if line == 'scattering matrix elements':
+                    break
+                elif line == 'total ext, abs, scat efficiencies, w.r.t. xv, and asym. parm':
+                    values = inFile.readline().strip().split(' ')
+                    self.simResults['extinction_total'].append(values[0])
     def saveFile(self, fileName):
         outFile = open(fileName, 'w')
         outFile.write(str(self))
+        outFile.close()
     def __getitem__(self, key):
         return self.simResults[key];