Changeset a6fccd7 in sasview for src/sas/sasgui/perspectives/fitting

Timestamp:

Dec 21, 2016 8:48:31 AM (8 years ago)

Author:

krzywon

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-4.1.1, release-4.1.2, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

fa487d93

Parents:

9e0aa69a (diff), bb3eb744 (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 ticket-795

Location:

src/sas/sasgui/perspectives/fitting

Files:

• basepage.py (modified) (7 diffs)
• fitpage.py (modified) (7 diffs)
• fitting.py (modified) (2 diffs)
• model_thread.py (modified) (2 diffs)
• models.py (modified) (2 diffs)
• pagestate.py (modified) (5 diffs)

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

@@ -52 +52 @@
     FONT_VARIANT = 1
     ON_MAC = True
-
 
 class BasicPage(ScrolledPanel, PanelBase):
@@ -1042 +1041 @@
                         disp_model = POLYDISPERSITY_MODELS['array']()
                         if hasattr(state, "values") and \
-                                 self.disp_cb_dict[item].GetValue() is True:
+                                 self.disp_cb_dict[item].GetValue():
                             if len(state.values) > 0:
                                 self.values = state.values
@@ -1451 +1450 @@
                 self.state_change = True
                 self._draw_model()
+                # Time delay has been introduced to prevent _handle error
+                # on Windows
+                # This part of code is executed when model is selected and
+                # it's parameters are changed (with respect to previously
+                # selected model). There are two Iq evaluations occuring one
+                # after another and therefore there may be compilation error
+                # if model is calculated for the first time.
+                # This seems to be Windows only issue - haven't tested on Linux
+                # though.The proper solution (other than time delay) requires
+                # more fundemental code refatoring
+                # Wojtek P. Nov 7, 2016
+                if not ON_MAC:
+                    time.sleep(0.1)
                 self.Refresh()
 
@@ -2129 +2141 @@
                 flag = False
             else:
-                self.Npts_fit.SetValue(str(len(index_data[index_data is True])))
+                self.Npts_fit.SetValue(str(len(index_data[index_data])))
                 self.fitrange = True
 
@@ -2164 +2176 @@
                 flag = False
             else:
-                val = index_data[index_data is True]
-                val = len(val) if isinstance(val, list) else 1
-                self.Npts_fit.SetValue(str(val))
+                self.Npts_fit.SetValue(str(len(index_data[index_data])))
                 self.fitrange = True
 
@@ -2390 +2400 @@
 
         # Redraw the model
-        self._draw_model()
+        #  Wojtek P. Nov 7, 2016: Redrawing seems to be unnecessary here
+        # self._draw_model()
         # self._undo.Enable(True)
         event = PageInfoEvent(page=self)
@@ -2609 +2620 @@
             Layout after self._draw_model
         """
-        if ON_MAC is True:
+        if ON_MAC:
             time.sleep(1)
 

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

@@ -81 +81 @@
         flag = check_data_validity(self.data) & (self.model is not None)
         self.btFit.Enable(flag)
-        
+
     def on_set_focus(self, event):
         """
-        Override the basepage focus method to ensure the save flag is set 
+        Override the basepage focus method to ensure the save flag is set
         properly when focusing on the fit page.
         """
@@ -238 +238 @@
 
         weighting_set_box = wx.StaticBox(self, wx.ID_ANY,
-                                'Set Weighting by Selecting dI Source')
+                                         'Set Weighting by Selecting dI Source')
         weighting_box = wx.StaticBoxSizer(weighting_set_box, wx.HORIZONTAL)
         sizer_weighting = wx.BoxSizer(wx.HORIZONTAL)
@@ -1164 +1164 @@
         if event is not None:
             if (event.GetEventObject() == self.formfactorbox
-                        and self.structurebox.GetLabel() != 'None')\
-                        or event.GetEventObject() == self.structurebox\
-                        or event.GetEventObject() == self.multifactorbox:
+                    and self.structurebox.GetLabel() != 'None')\
+                    or event.GetEventObject() == self.structurebox\
+                    or event.GetEventObject() == self.multifactorbox:
                 copy_flag = self.get_copy_params()
                 is_poly_enabled = self.enable_disp.GetValue()
@@ -1206 +1206 @@
                     self._keep.Enable(not self.batch_on)
                     self._set_save_flag(True)
-                    self._set_smear(self.data)
+            #Setting smearing for cases with and without data.
+            self._set_smear(self.data)
 
             # more disables for 2D
@@ -1213 +1214 @@
             try:
                 # update smearer sizer
-                self.onSmear(None)
+                #This call for smearing set up caused double evaluation of
+                #I(q) and double compilation as results
+                #self.onSmear(None)
                 temp_smear = None
                 if not self.disable_smearer.GetValue():
@@ -1227 +1230 @@
             # set smearing value whether or not data contain the smearing info
             evt = ModelEventbox(model=self.model,
-                            smearer=temp_smear,
-                            enable_smearer=not self.disable_smearer.GetValue(),
-                            qmin=float(self.qmin_x),
-                            uid=self.uid,
-                            caption=self.window_caption,
-                            qmax=float(self.qmax_x))
+                                smearer=temp_smear,
+                                enable_smearer=not self.disable_smearer.GetValue(),
+                                qmin=float(self.qmin_x),
+                                uid=self.uid,
+                                caption=self.window_caption,
+                                qmax=float(self.qmax_x))
 
             self._manager._on_model_panel(evt=evt)
@@ -1616 +1619 @@
                 return
         # check if it is pinhole smear and get min max if it is.
-        if data.dx is not None and not numpy.any(data.dx):
+        if data.dx is not None and numpy.any(data.dx):
             self.smear_type = "Pinhole"
             self.dq_l = data.dx[0]

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

@@ -864 +864 @@
                 enable1D=enable1D, enable2D=enable2D,
                 qmin=qmin, qmax=qmax, weight=weight)
-            self._mac_sleep(0.2)
 
     def _mac_sleep(self, sec=0.2):
@@ -1964 +1963 @@
                 ## May need rethinking  
                 ##
-                ##    -PDB August 12, 2014                  
+                ##    -PDB August 12, 2014
                 while self.calc_1D.isrunning():
                     time.sleep(0.1)

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

@@ -82 +82 @@
             fn.set_model(self.model)
             fn.set_index(index_model)
-            # Get necessary data from self.data and set the data for smearing
-            fn.get_data()
             # Calculate smeared Intensity
             #(by Gaussian averaging): DataLoader/smearing2d/Smearer2D()
@@ -89 +87 @@
         else:
             # calculation w/o smearing
-            value = self.model.evalDistribution(\
-                [self.data.qx_data[index_model],
-                 self.data.qy_data[index_model]])
+            value = self.model.evalDistribution([
+                self.data.qx_data[index_model],
+                self.data.qy_data[index_model]
+            ])
         output = numpy.zeros(len(self.data.qx_data))
         # output default is None

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

@@ -23 +23 @@
 PLUGIN_LOG = os.path.join(os.path.expanduser("~"), '.sasview', PLUGIN_DIR,
                           "plugins.log")
+PLUGIN_NAME_BASE = '[plug-in] '
 
 def get_model_python_path():
@@ -181 +182 @@
             try:
                 model = load_custom_model(path)
-                model.name = "[plug-in] "+model.name
+                model.name = PLUGIN_NAME_BASE + model.name
                 plugins[model.name] = model
             except Exception:

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

@@ -25 +25 @@
 from lxml import etree
 
+from sasmodels import convert
 import sasmodels.weights
 
@@ -271 +272 @@
         # store value of chisqr
         self.tcChi = None
+        self.version = (1,0,0)
 
     def clone(self):
@@ -355 +357 @@
             obj.saved_states[copy_name] = copy_state
         return obj
+
+    def _old_first_model(self):
+        """
+        Handle save states from 4.0.1 and before where the first item in the
+        selection boxes of category, formfactor and structurefactor were not
+        saved.
+        :return: None
+        """
+        if self.formfactorcombobox == '':
+            if self.categorycombobox == '' and len(self.parameters) == 3:
+                self.categorycombobox = "Shape-Independent"
+                self.formfactorcombobox = 'PowerLawAbsModel'
+            elif self.categorycombobox == '' and len(self.parameters) == 9:
+                self.categorycombobox = 'Cylinder'
+                self.formfactorcombobox = 'barbell'
+            elif self.categorycombobox == 'Shapes':
+                self.formfactorcombobox = 'BCCrystalModel'
+            elif self.categorycombobox == 'Uncategorized':
+                self.formfactorcombobox = 'LineModel'
+            elif self.categorycombobox == 'StructureFactor':
+                self.structurecombobox = 'HardsphereStructure'
+            elif self.categorycombobox == 'Customized Models':
+                self.formfactorcombobox = 'MySumFunction'
+            elif self.categorycombobox == 'Ellipsoid':
+                self.formfactorcombobox = 'core_shell_ellipsoid'
+            elif self.categorycombobox == 'Lamellae':
+                self.formfactorcombobox = 'lamellar'
+            elif self.categorycombobox == 'Paracrystal':
+                self.formfactorcombobox = 'bcc_paracrystal'
+            elif self.categorycombobox == 'Parallelepiped':
+                self.formfactorcombobox = 'core_shell_parallelepiped'
+            elif self.categorycombobox == 'Shape Independent':
+                self.formfactorcombobox = 'be_polyelectrolyte'
+            elif self.categorycombobox == 'Sphere':
+                self.formfactorcombobox = 'adsorbed_layer'
+            elif self.categorycombobox == 'Structure Factor':
+                self.formfactorcombobox = 'hardsphere'
+
+    @staticmethod
+    def param_remap_to_sasmodels_convert(params, is_string=False):
+        """
+        Remaps the parameters for sasmodels conversion
+
+        :param params: list of parameters (likely self.parameters)
+        :return: remapped dictionary of parameters
+        """
+        p = dict()
+        for fittable, name, value, _, uncert, lower, upper, units in params:
+            if not value:
+                value = numpy.nan
+            if not uncert or uncert[1] == '' or uncert[1] == 'None':
+                uncert[0] = False
+                uncert[1] = numpy.nan
+            if not upper or upper[1] == '' or upper[1] == 'None':
+                upper[0] = False
+                upper[1] = numpy.nan
+            if not lower or lower[1] == '' or lower[1] == 'None':
+                lower[0] = False
+                lower[1] = numpy.nan
+            if is_string:
+                p[name] = str(value)
+            else:
+                p[name] = float(value)
+            p[name + ".fittable"] = bool(fittable)
+            p[name + ".std"] = float(uncert[1])
+            p[name + ".upper"] = float(upper[1])
+            p[name + ".lower"] = float(lower[1])
+            p[name + ".units"] = units
+        return p
+
+    @staticmethod
+    def param_remap_from_sasmodels_convert(params):
+        """
+        Converts {name : value} map back to [] param list
+        :param params: parameter map returned from sasmodels
+        :return: None
+        """
+        p_map = []
+        for name, info in params.iteritems():
+            if ".fittable" in name or ".std" in name or ".upper" in name or \
+                            ".lower" in name or ".units" in name:
+                pass
+            else:
+                fittable = params.get(name + ".fittable", True)
+                std = params.get(name + ".std", '0.0')
+                upper = params.get(name + ".upper", 'inf')
+                lower = params.get(name + ".lower", '-inf')
+                units = params.get(name + ".units")
+                if std is not None and std is not numpy.nan:
+                    std = [True, str(std)]
+                else:
+                    std = [False, '']
+                if lower is not None and lower is not numpy.nan:
+                    lower = [True, str(lower)]
+                else:
+                    lower = [True, '-inf']
+                if upper is not None and upper is not numpy.nan:
+                    upper = [True, str(upper)]
+                else:
+                    upper = [True, 'inf']
+                param_list = [bool(fittable), str(name), str(info),
+                              "+/-", std, lower, upper, str(units)]
+                p_map.append(param_list)
+        return p_map
+
+    def _convert_to_sasmodels(self):
+        """
+        Convert parameters to a form usable by sasmodels converter
+
+        :return: None
+        """
+        # Create conversion dictionary to send to sasmodels
+        self._old_first_model()
+        p = self.param_remap_to_sasmodels_convert(self.parameters)
+        structurefactor, params = convert.convert_model(self.structurecombobox,
+                                                        p, False, self.version)
+        formfactor, params = convert.convert_model(self.formfactorcombobox,
+                                                   params, False, self.version)
+        if len(self.str_parameters) > 0:
+            str_pars = self.param_remap_to_sasmodels_convert(
+                self.str_parameters, True)
+            formfactor, str_params = convert.convert_model(
+                self.formfactorcombobox, str_pars)
+            for key, value in str_params.iteritems():
+                params[key] = value
+
+        # Only convert if old != new, otherwise all the same
+        if formfactor != self.formfactorcombobox or \
+                        structurefactor != self.structurecombobox:
+            # Spherical SLD number of layers changed between 3.1.2 and 4.0
+            if self.formfactorcombobox == 'SphericalSLDModel':
+                self.multi_factor += 1
+            self.formfactorcombobox = formfactor
+            self.structurecombobox = structurefactor
+            self.parameters = []
+            self.parameters = self.param_remap_from_sasmodels_convert(params)
 
     def _repr_helper(self, list, rep):
@@ -682 +820 @@
 
         attr = newdoc.createAttribute("version")
-        attr.nodeValue = '1.0'
+        import sasview
+        attr.nodeValue = sasview.__version__
+        # attr.nodeValue = '1.0'
         top_element.setAttributeNode(attr)
 
@@ -875 +1015 @@
             raise RuntimeError, msg
 
-        if node.get('version') and node.get('version') == '1.0':
-
+        if node.get('version'):
+
+            self.version = tuple(int(e) for e in
+                                 str.split(node.get('version'), "."))
             # Get file name
             entry = get_content('ns:filename', node)