remove nxs sofq support for gr tab, clean up

neutrons · Oct 7, 2024 · bf7f74f · bf7f74f
1 parent 39ede04
commit bf7f74f
Show file tree

Hide file tree

Showing 4 changed files with 24 additions and 30 deletions.
diff --git a/addie/addiedriver.py b/addie/addiedriver.py
@@ -151,11 +151,7 @@ def calculate_gr(
             sq_pystog = np.insert(sq_pystog, 0, sq_pystog[0])
         transformer = Transformer()
         r_pystog = np.arange(0, max_r + delta_r, delta_r)
-        print(q_pystog)
-        print(sq_pystog)
         r_pystog, gr_pystog, _ = transformer.S_to_G(q_pystog, sq_pystog, r_pystog)
-        print(r_pystog)
-        print(gr_pystog)
 
         gr_ws_name = '%s(R)_%s_%d' % (prefix, self._currSqWsName, ws_seq_index)
         simpleapi.CreateWorkspace(
@@ -457,6 +453,7 @@ def load_gr(self, gr_file_name):
 
         return True, gr_ws_name
 
+
     def load_sq(self, file_name):
         """
         Load S(Q) to a numpy
@@ -472,20 +469,22 @@ def load_sq(self, file_name):
         # generate S(Q) workspace name
         sq_ws_name = os.path.basename(file_name).split('.')[0]
 
+        def count_header_lines(file_path):
+            header_characters = ['#', '%', '!', '-']
+            header_lines_count = 0
+
+            with open(file_path, 'r') as file:
+                for line in file:
+                    condt1 = line.strip().startswith(tuple(header_characters))
+                    condt2 = len(line.strip().split()) == 1
+                    if condt1 or condt2:
+                        header_lines_count += 1
+
+            return header_lines_count
+
         # call mantid LoadAscii
         ext = file_name.upper().split('.')[-1]
-        if ext == 'NXS':
-            simpleapi.LoadNexusProcessed(
-                Filename=file_name, OutputWorkspace=sq_ws_name)
-            simpleapi.ConvertUnits(
-                InputWorkspace=sq_ws_name,
-                OutputWorkspace=sq_ws_name,
-                EMode='Elastic',
-                Target='MomentumTransfer')
-            simpleapi.ConvertToPointData(
-                InputWorkspace=sq_ws_name,
-                OutputWorkspace=sq_ws_name)  # TODO REMOVE THIS LINE
-        elif ext == 'DAT' or ext == 'TXT':
+        if ext == 'DAT' or ext == 'TXT':
             try:
                 simpleapi.LoadAscii(
                     Filename=file_name,
@@ -494,17 +493,14 @@ def load_sq(self, file_name):
             except RuntimeError:
                 sq_ws_name, q_min, q_max = "InvalidInput", 0, 0
                 return sq_ws_name, q_min, q_max
-            # The S(Q) file is in fact S(Q)-1 in sq file.  So need to add 1 to
-            # the workspace
-            # out_ws = AnalysisDataService.retrieve(sq_ws_name)
-            # out_ws += 1
         elif ext == 'SQ':
+            num_hl = count_header_lines(file_name)
             try:
                 simpleapi.LoadAscii(
                     Filename=file_name,
                     OutputWorkspace=sq_ws_name,
                     Unit='MomentumTransfer',
-                    SkipNumLines=2)
+                    SkipNumLines=num_hl)
             except RuntimeError:
                 sq_ws_name, q_min, q_max = "InvalidInput", 0, 0
                 return sq_ws_name, q_min, q_max

diff --git a/addie/calculate_gr/event_handler.py b/addie/calculate_gr/event_handler.py
@@ -67,7 +67,7 @@ def load_sq(main_window):
         default_dir = get_default_dir(main_window, sub_dir='SofQ')
 
     # get the file
-    ext = 'dat (*.dat);;nxs (*.nxs);;All (*.*)'
+    ext = 'dat (*.dat);;SofQ (*.sq);;All (*.*)'
     sq_file_names = QFileDialog.getOpenFileNames(main_window,
                                                  'Choose S(Q) File',
                                                  default_dir,
@@ -408,10 +408,6 @@ def plot_gr(main_window, ws_name, line_color, line_style,
     # check whether the workspace is on the figure
     graphicsView_gr = main_window.calculategr_ui.graphicsView_gr
     has_gr = graphicsView_gr.has_gr(ws_name)
-    current_grs = graphicsView_gr.get_current_grs()
-    msg = '[DB...BAT] G(r) graphic has plot {0} is {1}. Keys are {2}'
-    msg = msg.format(ws_name, has_gr, current_grs)
-    print(msg)
 
     if graphicsView_gr.has_gr(ws_name):
         # update G(r) value of an existing plot

diff --git a/addie/calculate_gr/gofrview.py b/addie/calculate_gr/gofrview.py
@@ -113,7 +113,9 @@ def plot_gr(self, plot_key, ws_name, plotError=False, color='black', style='.',
 
         line_id = self.add_plot_1d(ws_name, wkspindex=0, marker=marker,
                                    color=color, line_style=style, alpha=alpha,
-                                   label=label, x_label=r'r ($\AA$)', plotError=plotError)
+                                   label=label, x_label=r'r ($\AA$)',
+                                   y_label="PDF, G(r), ...",
+                                   plotError=plotError)
         self._colorIndex += 1
         self._grDict[str(plot_key)] = line_id
 

diff --git a/addie/plot/canvas.py b/addie/plot/canvas.py
@@ -29,7 +29,7 @@ def __init__(self, parent):
         self.fig.patch.set_facecolor('white')
 
         self.axes = self.fig.add_subplot(111, projection='mantid')
-        self.fig.subplots_adjust(bottom=0.15)
+        self.fig.subplots_adjust(bottom=0.2)
 
         # Initialize parent class and set parent
         FigureCanvasQTAgg.__init__(self, self.fig)
@@ -123,9 +123,9 @@ def add_plot_1d(
 
         # set x-axis and y-axis label
         if x_label is not None:
-            self.axes.set_xlabel(x_label, fontsize=20)
+            self.axes.set_xlabel(x_label, fontsize=14)
         if y_label is not None:
-            self.axes.set_ylabel(y_label, fontsize=20)
+            self.axes.set_ylabel(y_label, fontsize=14)
 
         # set/update legend
         if show_legend: