improved nions display | jue 18 abr 2024 11:11:22 CEST

rionid/__main__.py

@@ -90,26 +90,26 @@ def controller(data_file, particles_to_simulate, alphap, ref_ion, ndivs, amplitu
     log.info(f'Simulation performed. Now we are going to start the display.')
 
     # View
-
-    # Some extra controlling
     # displaying specified amount of ions, sorted by yield
-    if nions:
-        # sort by yield (greatest first)
-        sorted_indices = argsort(mydata.yield_data)[::-1][:nions]
-        ref_index = where(mydata.nuclei_names == ref_ion)[0]
-        sorted_indices = append(sorted_indices, ref_index)
-        mydata.nuclei_names = mydata.nuclei_names[sorted_indices]
-        if harmonics:
-            for harmonic in harmonics: # for each harmonic
-                name = f'{harmonic}'
-                mydata.simulated_data_dict[name] = mydata.simulated_data_dict[name][sorted_indices]
+    if nions: display_nions(nions, mydata.yield_data, mydata.nuclei_names, mydata.simulated_data_dict, ref_ion, harmonics)
 
     mycanvas = CreateGUI(ref_ion, mydata.nuclei_names, ndivs, amplitude, show)
     mycanvas._view(mydata.experimental_data, mydata.simulated_data_dict, filename = data_file, out = out)
 
     log.debug(f'Plotted labels = {mycanvas.labels},{mycanvas.ref_ion}')
     log.info(f'Program has ended. I hope you have found what you were looking for. :)')
 
+def display_nions(nions, yield_data, nuclei_names, simulated_data_dict, ref_ion, harmonics):
+    sorted_indices = argsort(yield_data)[::-1][:nions]
+    ref_index = where(nuclei_names == ref_ion)[0]
+    if ref_index not in sorted_indices:
+        sorted_indices = append(sorted_indices, ref_index)
+    nuclei_names = nuclei_names[sorted_indices]
+
+    for harmonic in harmonics: # for each harmonic
+        name = f'{harmonic}'
+        simulated_data_dict[name] = simulated_data_dict[name][sorted_indices]
+
 def controller2(data_file, particles_to_simulate, alphap, ref_ion, ndivs, amplitude, show, brho = None, fref = None, ke = None, out = None, harmonics = None, gam = None, correct = None, ods = False, nions = None):
 
     log.debug(f'Tracking of variables introduced:\n {data_file} = data_file, {particles_to_simulate} = particles_to_simulate, {harmonics} = harmonics, {alphap} = alphap, {ref_ion} = ref_ion, {ndivs} = ndivs, {amplitude} = amplitude, {show} = show, {brho} = brho, {fref} = fref, {ke} = ke')
@@ -120,14 +120,14 @@ def controller2(data_file, particles_to_simulate, alphap, ref_ion, ndivs, amplit
     mydata._calculate_moqs()
     mydata._calculate_srrf(fref = fref, brho = brho, ke = ke, gam = gam, correct = correct)
     mydata._simulated_data(harmonics = harmonics) # -> simulated frecs
-    #pyView
 
+    if nions: display_nions(nions, mydata.yield_data, mydata.nuclei_names, mydata.simulated_data_dict, ref_ion, harmonics)
+
+    #pyView
     app = QApplication(sys.argv)
     sa = CreatePyGUI(mydata.experimental_data, mydata.simulated_data_dict)
     sa.show()
     sys.exit(app.exec_())
-
-
 
 def read_masterfile(master_filename):
     # reads list filenames with experiment data. [:-1] to remove eol sequence.

rionid/gui.py

@@ -126,6 +126,16 @@ def setup_controls(self):
         self.run_button.clicked.connect(self.run_script)
 
         self.stop_button = QPushButton('Stop')
+        self.stop_button.setStyleSheet("""
+            QPushButton {
+                background-color: #d1cc01;
+                color: white;
+                border-radius: 5px;
+            }
+            QPushButton:hover {
+                background-color: #45a049;
+            }
+        """)
         self.stop_button.clicked.connect(self.stop_script)
         self.stop_button.setEnabled(False)
 
@@ -207,6 +217,7 @@ def actual_run_script(self):
 
             args = argparse.Namespace(datafile=datafile, alphap=alphap, refion=refion, filep=filep, ndivs=ndivs, amplitude=amplitude, mode=mode, value=value)
             controller(args)
+
         except Exception as e:
             QMessageBox.critical(self, 'Error', f'An error occurred: {str(e)}')
             log.error(f"Failed to run script: {str(e)}")
@@ -219,7 +230,6 @@ def __init__(self, function):
         super().__init__()
         self.function = function
         self._stop_requested = False
-        #self.signalError.connect(self.handle_error)
 
     def run(self):
         try:
@@ -233,6 +243,7 @@ def requestStop(self):
 
 def controller(datafile=None, alphap=None, refion=None, filep=None, ndivs=None, amplitude=None, mode=None, value=None):
     print('HELLO!')
+
 if __name__ == '__main__':
     app = QApplication(sys.argv)
     window = RionID_GUI()