Changeset 729198e in sasview for src/sas/sasgui/perspectives

Timestamp:

Sep 11, 2017 6:55:51 AM (7 years ago)

Author:

lewis

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

ff65d02

Parents:

2d9526d (diff), e2b2473 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'master' into FixingTicket741

Location:

src/sas/sasgui/perspectives

Files:

• file_converter/converter_panel.py (modified) (12 diffs)
• file_converter/file_converter.py (modified) (1 diff)
• file_converter/media/file_converter_help.rst (modified) (4 diffs)
• fitting/fitting.py (modified) (2 diffs)
• fitting/model_thread.py (modified) (3 diffs)

src/sas/sasgui/perspectives/file_converter/converter_panel.py

@@ -24 +24 @@
 from sas.sascalc.file_converter.otoko_loader import OTOKOLoader
 from sas.sascalc.file_converter.bsl_loader import BSLLoader
+from sas.sascalc.file_converter.ascii2d_loader import ASCII2DLoader
 from sas.sascalc.file_converter.nxcansas_writer import NXcanSASWriter
 from sas.sascalc.dataloader.data_info import Detector
@@ -35 +36 @@
     _STATICBOX_WIDTH = 410
     _BOX_WIDTH = 200
-    PANEL_SIZE = 480
+    PANEL_SIZE = 520
     FONT_VARIANT = 0
 else:
@@ -41 +42 @@
     _STATICBOX_WIDTH = 430
     _BOX_WIDTH = 200
-    PANEL_SIZE = 500
+    PANEL_SIZE = 540
     FONT_VARIANT = 1
 
@@ -352 +353 @@
             w.write(frame_data, output_path)
 
+    def convert_2d_data(self, dataset):
+        metadata = self.get_metadata()
+        for key, value in metadata.iteritems():
+            setattr(dataset[0], key, value)
+
+        w = NXcanSASWriter()
+        w.write(dataset, self.output.GetPath())
+
     def on_convert(self, event):
         """Called when the Convert button is clicked"""
@@ -367 +376 @@
                 qdata, iqdata = self.extract_otoko_data(self.q_input.GetPath())
                 self.convert_1d_data(qdata, iqdata)
+            elif self.data_type == 'ascii2d':
+                loader = ASCII2DLoader(self.iq_input.GetPath())
+                data = loader.load()
+                dataset = [data] # ASCII 2D only ever contains 1 frame
+                self.convert_2d_data(dataset)
             else: # self.data_type == 'bsl'
                 dataset = self.extract_bsl_data(self.iq_input.GetPath())
@@ -372 +386 @@
                     # Cancelled by user
                     return
-
-                metadata = self.get_metadata()
-                for key, value in metadata.iteritems():
-                    setattr(dataset[0], key, value)
-
-                w = NXcanSASWriter()
-                w.write(dataset, self.output.GetPath())
+                self.convert_2d_data(dataset)
+
         except Exception as ex:
             msg = str(ex)
@@ -399 +408 @@
     def validate_inputs(self):
         msg = "You must select a"
-        if self.q_input.GetPath() == '' and self.data_type != 'bsl':
+        if self.q_input.GetPath() == '' and self.data_type != 'bsl' \
+            and self.data_type != 'ascii2d':
             msg += " Q Axis input file."
         elif self.iq_input.GetPath() == '':
@@ -472 +482 @@
         dtype = event.GetEventObject().GetName()
         self.data_type = dtype
-        if dtype == 'bsl':
+        if dtype == 'bsl' or dtype == 'ascii2d':
             self.q_input.SetPath("")
             self.q_input.Disable()
@@ -500 +510 @@
 
         instructions = (
-        "Select linked single column 1D ASCII files containing the Q-axis and "
-        "Intensity-axis data, or 1D BSL/OTOKO files, or a 2D BSL/OTOKO file, "
-        "then choose where to save the converted file, and click Convert.\n"
-        "1D ASCII and BSL/OTOKO files can be converted to CanSAS (XML) or "
-        "NXcanSAS (HDF5) formats. 2D BSL/OTOKO files can only be converted to "
-        "the NXcanSAS format.\n"
-        "Metadata can be optionally added for the CanSAS XML format."
+        "If converting a 1D dataset, select linked single-column ASCII files "
+        "containing the Q-axis and intensity-axis data, or a 1D BSL/OTOKO file."
+        " If converting 2D data, select an ASCII file in the ISIS 2D file "
+        "format, or a 2D BSL/OTOKO file. Choose where to save the converted "
+        "file and click convert.\n"
+        "One dimensional ASCII and BSL/OTOKO files can be converted to CanSAS "
+        "(XML) or NXcanSAS (HDF5) formats. Two dimensional datasets can only be"
+        " converted to the NXcanSAS format.\n"
+        "Metadata can also be optionally added to the output file."
         )
 
@@ -526 +538 @@
             wx.ALIGN_CENTER_VERTICAL, 5)
         radio_sizer = wx.BoxSizer(wx.HORIZONTAL)
-        ascii_btn = wx.RadioButton(self, -1, "ASCII", name="ascii",
+        ascii_btn = wx.RadioButton(self, -1, "ASCII 1D", name="ascii",
             style=wx.RB_GROUP)
         ascii_btn.Bind(wx.EVT_RADIOBUTTON, self.datatype_changed)
         radio_sizer.Add(ascii_btn)
+        ascii2d_btn = wx.RadioButton(self, -1, "ASCII 2D", name="ascii2d")
+        ascii2d_btn.Bind(wx.EVT_RADIOBUTTON, self.datatype_changed)
+        radio_sizer.Add(ascii2d_btn)
         otoko_btn = wx.RadioButton(self, -1, "BSL 1D", name="otoko")
         otoko_btn.Bind(wx.EVT_RADIOBUTTON, self.datatype_changed)
         radio_sizer.Add(otoko_btn)
-        input_grid.Add(radio_sizer, (y,1), (1,1), wx.ALL, 5)
         bsl_btn = wx.RadioButton(self, -1, "BSL 2D", name="bsl")
         bsl_btn.Bind(wx.EVT_RADIOBUTTON, self.datatype_changed)
         radio_sizer.Add(bsl_btn)
+        input_grid.Add(radio_sizer, (y,1), (1,1), wx.ALL, 5)
         y += 1
 
@@ -549 +564 @@
         y += 1
 
-        iq_label = wx.StaticText(self, -1, "Intensity-Axis Data: ")
+        iq_label = wx.StaticText(self, -1, "Intensity Data: ")
         input_grid.Add(iq_label, (y,0), (1,1), wx.ALIGN_CENTER_VERTICAL, 5)
 
@@ -647 +662 @@
 
     def __init__(self, parent=None, title='File Converter', base=None,
-        manager=None, size=(PANEL_SIZE * 1.05, PANEL_SIZE / 1.1),
+        manager=None, size=(PANEL_SIZE * 0.96, PANEL_SIZE * 0.9),
         *args, **kwargs):
         kwargs['title'] = title

src/sas/sasgui/perspectives/file_converter/file_converter.py

@@ -25 +25 @@
         Returns a set of menu entries
         """
-        help_txt = "Convert single column ASCII data to CanSAS format"
+        help_txt = "Convert ASCII or BSL/OTOKO data to CanSAS or NXcanSAS formats"
         return [("File Converter", help_txt, self.on_file_converter)]
 

src/sas/sasgui/perspectives/file_converter/media/file_converter_help.rst

@@ -18 +18 @@
 *   Single-column ASCII data, with lines that end without any delimiter,
     or with a comma or semi-colon delimiter
+*   2D `ISIS ASCII formatted
+    <http://www.isis.stfc.ac.uk/instruments/loq/software/
+    colette-ascii-file-format-descriptions9808.pdf>`_ data
 *   `1D BSL/OTOKO format
     <http://www.diamond.ac.uk/Beamlines/Soft-Condensed-Matter/small-angle/
@@ -36 +39 @@
 
 1) Select the files containing your Q-axis and Intensity-axis data
-2) Choose whether the files are in ASCII, 1D BSL/OTOKO or 2D BSL/OTOKO format
+2) Choose whether the files are in ASCII 1D, ASCII 2D, 1D BSL/OTOKO or 2D BSL/OTOKO format
 3) Choose where you would like to save the converted file
 4) Optionally, input some metadata such as sample size, detector name, etc
@@ -47 +50 @@
 file, a dialog will appear asking which frames you would like converted. You
 may enter a start frame, end frame & increment, and all frames in that subset
-will be converted. For example, entering 0, 50 and 10 will convert frames 0, 
+will be converted. For example, entering 0, 50 and 10 will convert frames 0,
 10, 20, 30, 40 & 50.
 
@@ -56 +59 @@
 single file, so there is an option in the *Select Frame* dialog to output each
 frame to its own file. The single file option will produce one file with
-multiple `<SASdata>` elements. The multiple file option will output a separate 
-file with one `<SASdata>` element for each frame. The frame number will also be 
+multiple `<SASdata>` elements. The multiple file option will output a separate
+file with one `<SASdata>` element for each frame. The frame number will also be
 appended to the file name.
 
-The multiple file option is not available when exporting to NXcanSAS because 
+The multiple file option is not available when exporting to NXcanSAS because
 the HDF5 format is more efficient at handling large amounts of data.
 

src/sas/sasgui/perspectives/fitting/fitting.py

@@ -1742 +1742 @@
             @param unsmeared_error: data error, rescaled to unsmeared model
         """
-
         number_finite = np.count_nonzero(np.isfinite(y))
         np.nan_to_num(y)
@@ -1748 +1747 @@
                                          data_description=model.name,
                                          data_id=str(page_id) + " " + data.name)
+        plots_to_update = [] # List of plottables that have changed since last calculation
+        # Create the new theories
         if unsmeared_model is not None:
-            self.create_theory_1D(x, unsmeared_model, page_id, model, data, state,
+            unsmeared_model_plot = self.create_theory_1D(x, unsmeared_model, 
+                                  page_id, model, data, state,
                                   data_description=model.name + " unsmeared",
                                   data_id=str(page_id) + " " + data.name + " unsmeared")
+            plots_to_update.append(unsmeared_model_plot)
 
             if unsmeared_data is not None and unsmeared_error is not None:
-                self.create_theory_1D(x, unsmeared_data, page_id, model, data, state,
+                unsmeared_data_plot = self.create_theory_1D(x, unsmeared_data, 
+                                      page_id, model, data, state,
                                       data_description="Data unsmeared",
                                       data_id="Data  " + data.name + " unsmeared",
                                       dy=unsmeared_error)
-        # Comment this out until we can get P*S models with correctly populated parameters
-        #if sq_model is not None and pq_model is not None:
-        #    self.create_theory_1D(x, sq_model, page_id, model, data, state,
-        #                          data_description=model.name + " S(q)",
-        #                          data_id=str(page_id) + " " + data.name + " S(q)")
-        #    self.create_theory_1D(x, pq_model, page_id, model, data, state,
-        #                          data_description=model.name + " P(q)",
-        #                          data_id=str(page_id) + " " + data.name + " P(q)")
+                plots_to_update.append(unsmeared_data_plot)
+        if sq_model is not None and pq_model is not None:
+            sq_id = str(page_id) + " " + data.name + " S(q)"
+            sq_plot = self.create_theory_1D(x, sq_model, page_id, model, data, state,
+                                  data_description=model.name + " S(q)",
+                                  data_id=sq_id)
+            plots_to_update.append(sq_plot)
+            pq_id = str(page_id) + " " + data.name + " P(q)"
+            pq_plot = self.create_theory_1D(x, pq_model, page_id, model, data, state,
+                                  data_description=model.name + " P(q)",
+                                  data_id=pq_id)
+            plots_to_update.append(pq_plot)
+        # Update the P(Q), S(Q) and unsmeared theory plots if they exist
+        wx.PostEvent(self.parent, NewPlotEvent(plots=plots_to_update, 
+                                              action='update'))
 
         current_pg = self.fit_panel.get_page_by_id(page_id)

src/sas/sasgui/perspectives/fitting/model_thread.py

@@ -71 +71 @@
                     (self.data.qy_data * self.data.qy_data))
 
-        # For theory, qmax is based on 1d qmax 
+        # For theory, qmax is based on 1d qmax
         # so that must be mulitified by sqrt(2) to get actual max for 2d
         index_model = (self.qmin <= radius) & (radius <= self.qmax)
@@ -91 +91 @@
                 self.data.qy_data[index_model]
             ])
-        output = np.zeros(len(self.data.qx_data))
+        # Initialize output to NaN so masked elements do not get plotted.
+        output = np.empty_like(self.data.qx_data)
         # output default is None
         # This method is to distinguish between masked
         #point(nan) and data point = 0.
-        output = output / output
+        output[:] = np.NaN
         # set value for self.mask==True, else still None to Plottools
         output[index_model] = value
@@ -198 +199 @@
             output[index] = self.model.evalDistribution(self.data.x[index])
 
+        x=self.data.x[index]
+        y=output[index]
         sq_values = None
         pq_values = None
-        s_model = None
-        p_model = None
         if isinstance(self.model, MultiplicationModel):
             s_model = self.model.s_model
             p_model = self.model.p_model
-        elif hasattr(self.model, "get_composition_models"):
-            p_model, s_model = self.model.get_composition_models()
-
-        if p_model is not None and s_model is not None:
-            sq_values = np.zeros((len(self.data.x)))
-            pq_values = np.zeros((len(self.data.x)))
-            sq_values[index] = s_model.evalDistribution(self.data.x[index])
-            pq_values[index] = p_model.evalDistribution(self.data.x[index])
+            sq_values = s_model.evalDistribution(x)
+            pq_values = p_model.evalDistribution(x)
+        elif hasattr(self.model, "calc_composition_models"):
+            results = self.model.calc_composition_models(x)
+            if results is not None:
+                pq_values, sq_values = results
+
 
         elapsed = time.time() - self.starttime
 
-        self.complete(x=self.data.x[index], y=output[index],
+        self.complete(x=x, y=y,
                       page_id=self.page_id,
                       state=self.state,