Changeset 8c945ec in sasview for src/sas/sasgui/perspectives/fitting

Timestamp:

Sep 18, 2017 8:07:49 PM (7 years ago)

Author:

GitHub <noreply@…>

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

Children:

66acafe, fca1f50

Parents:

3152a02 (diff), 5c1c486 (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.

git-author:

Paul Butler <butlerpd@…> (09/18/17 20:07:49)

git-committer:

GitHub <noreply@…> (09/18/17 20:07:49)

Message:

Merge pull request #101 from lewisodriscoll/4.2.0-fixes

4.2.0 fixes

Location:

src/sas/sasgui/perspectives/fitting

Files:

• basepage.py (modified) (4 diffs)
• fitpage.py (modified) (6 diffs)
• fitpanel.py (modified) (1 diff)
• fitting.py (modified) (3 diffs)
• media/fitting_help.rst (modified) (2 diffs)
• media/plugin.rst (modified) (1 diff)

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

@@ -2929 +2929 @@
             return False
 
+
+    def _get_copy_params_details(self):
+        """
+        Combines polydisperse parameters with self.parameters so that they can
+        be written to the clipboard (for Excel or LaTeX). Also returns a list of
+        the names of parameters that have been fitted
+
+        :returns: all_params - A list of all parameters, in the format of 
+        self.parameters
+        :returns: fitted_par_names - A list of the names of parameters that have
+        been fitted
+        """
+        # Names of params that are being fitted
+        fitted_par_names = [param[1] for param in self.param_toFit]
+        # Names of params with associated polydispersity
+        disp_params = [param[1].split('.')[0] for param in self.fittable_param]
+
+        # Create array of all parameters
+        all_params = copy.copy(self.parameters)
+        for param in self.parameters:
+            if param[1] in disp_params:
+                # Polydisperse params aren't in self.parameters, so need adding
+                # to all_params
+                name = param[1] + ".width"
+                index = all_params.index(param) + 1
+                to_insert = []
+                if name in fitted_par_names:
+                    # Param is fitted, so already has a param list in self.param_toFit
+                    to_insert = self.param_toFit[fitted_par_names.index(name)]
+                else:
+                    # Param isn't fitted, so mockup a param list
+                    to_insert = [None, name, self.model.getParam(name), None, None]
+                all_params.insert(index, to_insert)
+        return all_params, fitted_par_names
+
     def get_copy_excel(self):
         """
@@ -2942 +2977 @@
         Get the string copies of the param names and values in the tap
         """
+        if not self.parameters:
+            # Do nothing if parameters doesn't exist
+            return False
+
         content = ''
-
         crlf = chr(13) + chr(10)
         tab = chr(9)
 
-        # Do it if params exist
-        if self.parameters:
-
-            for param in self.parameters:
-                content += param[1]  # parameter name
+        all_params, fitted_param_names = self._get_copy_params_details()
+
+        # Construct row of parameter names
+        for param in all_params:
+            name = param[1] # Parameter name
+            content += name
+            content += tab
+            if name in fitted_param_names:
+                # Only print errors for fitted parameters
+                content += name + "_err"
                 content += tab
-                content += param[1] + "_err"
-                content += tab
-
-            content += crlf
-
-            # row of values and errors...
-            for param in self.parameters:
-                content += param[2].GetValue()  # value
-                content += tab
-                content += param[4].GetValue()  # error
-                content += tab
-
-            return content
-        else:
-            return False
+
+        content += crlf
+
+        # Construct row of parameter values and errors
+        for param in all_params:
+            value = param[2]
+            if hasattr(value, 'GetValue'):
+                # param[2] is a text box
+                value = value.GetValue()
+            else:
+                # param[2] is a float (from our self._get_copy_params_details)
+                value = str(value)
+            content += value
+            content += tab
+            if param[1] in fitted_param_names:
+                # Only print errors for fitted parameters
+                content += param[4].GetValue()
+                content += tab 
+
+        return content
 
     def get_copy_latex(self):
@@ -2982 +3030 @@
         Get the string copies of the param names and values in the tap
         """
+        if not self.parameters:
+            # Do nothing if self.parameters doesn't exist
+            return False
+        
         content = '\\begin{table}'
         content += '\\begin{tabular}[h]'
@@ -2988 +3040 @@
         tab = chr(9)
 
-        # Do it if params exist
-        if self.parameters:
-
-            content += '{|'
-            for param in self.parameters:
-                content += 'l|l|'
-            content += '}\hline'
-            content += crlf
-
-            for index, param in enumerate(self.parameters):
-                content += param[1].replace('_', '\_')  # parameter name
+        all_params, fitted_param_names = self._get_copy_params_details()
+
+        content += '{|'
+        for param in all_params:
+            content += 'l|l|'
+        content += '}\hline'
+        content += crlf
+
+        # Construct row of parameter names
+        for index, param in enumerate(all_params):
+            name = param[1] # Parameter name
+            content += name.replace('_', '\_')  # Escape underscores
+            if name in fitted_param_names:
+                # Only print errors for fitted parameters
                 content += ' & '
-                content += param[1].replace('_', '\_') + "\_err"
-                if index < len(self.parameters) - 1:
-                    content += ' & '
-            content += '\\\\ \\hline'
-            content += crlf
-
-            # row of values and errors...
-            for index, param in enumerate(self.parameters):
-                content += param[2].GetValue()  # parameter value
+                content += name.replace('_', '\_') + "\_err"
+            if index < len(all_params) - 1:
                 content += ' & '
-                content += param[4].GetValue()  # parameter error
-                if index < len(self.parameters) - 1:
-                    content += ' & '
-            content += '\\\\ \\hline'
-            content += crlf
-
-            content += '\\end{tabular}'
-            content += '\\end{table}'
-            return content
-        else:
-            return False
+
+        content += '\\\\ \\hline'
+        content += crlf
+
+        # Construct row of values and errors
+        for index, param in enumerate(all_params):
+            value = param[2]
+            if hasattr(value, "GetValue"):
+                # value is a text box
+                value = value.GetValue()
+            else:
+                # value is a float (from self._get_copy_params_details)
+                value = str(value)
+            content += value
+            if param[1] in fitted_param_names:
+                # Only print errors for fitted params
+                content += ' & '
+                content += param[4].GetValue()
+            if index < len(all_params) - 1:
+                content += ' & '
+        
+        content += '\\\\ \\hline'
+        content += crlf
+        content += '\\end{tabular}'
+        content += '\\end{table}'
+
+        return content
 
     def set_clipboard(self, content=None):

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

@@ -289 +289 @@
         self.btFitHelp.SetToolTipString("General fitting help.")
         self.btFitHelp.Bind(wx.EVT_BUTTON, self._onFitHelp)
-        
+
         # Resolution Smearing Help button (for now use same technique as
         # used for dI help to get tiniest possible button that works
@@ -303 +303 @@
         self.btSmearHelp.SetToolTipString("Resolution smearing help.")
         self.btSmearHelp.Bind(wx.EVT_BUTTON, self._onSmearHelp)
-        
+
         # textcntrl for custom resolution
         self.smear_pinhole_percent = ModelTextCtrl(self, wx.ID_ANY,
@@ -564 +564 @@
         sizer.Add(self.draw_button, 0, 0)
         sizer.Add((-1, 5))
-        
+
         sizer.Add(self.tcChi, 0, 0)
         sizer.Add(self.Npts_fit, 0, 0)
@@ -570 +570 @@
         sizer.Add(self.btFit, 0, 0)
         sizer.Add(self.btFitHelp, 0, 0)
-        
+
         boxsizer_range.Add(sizer_chi2)
         boxsizer_range.Add(sizer)
@@ -2181 +2181 @@
         self.save_current_state()
 
+        if not self.is_mac:
+            self.Layout()
+            self.Refresh()
         # plot model ( when drawing, do not update chisqr value again)
         self._draw_model(update_chisqr=False, source='fit')
@@ -2775 +2778 @@
             else:
                 return cmp(a.lower(), b.lower())
-        
+
         # keys obtained now from ordered dict, so commenting alphabetical
         # ordering keys.sort(custom_compare)

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

@@ -501 +501 @@
             if data is None:
                 return None
+        focused_page = self.GetPage(self.GetSelection())
         for page in self.opened_pages.values():
             # check if the selected data existing in the fitpanel
             pos = self.GetPageIndex(page)
             if not check_data_validity(page.get_data()) and not page.batch_on:
+                if page.model is not None and page != focused_page:
+                    # Page has an active theory and is in background - don't
+                    # send data here.
+                    continue
                 # make sure data get placed in 1D empty tab if data is 1D
                 # else data get place on 2D tab empty tab

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

@@ -1326 +1326 @@
 
                 is_data2d = issubclass(data.__class__, Data2D)
-                #check consistency of arrays
+                # Check consistency of arrays
                 if not is_data2d:
                     if len(res.theory) == len(res.index[res.index]) and \
@@ -1337 +1337 @@
                     new_theory[res.index == False] = np.nan
                     correct_result = True
-                #get all fittable parameters of the current model
+                # Get all fittable parameters of the current model
                 param_list = model.getParamList()
                 for param in model.getDispParamList():
-                    if not model.is_fittable(param) and \
+                    if '.' in param and param in param_list:
+                        # Ensure polydispersity results are displayed
+                        p1, p2 = param.split('.')
+                        if not model.is_fittable(p1) and not (p2 == 'width' and param in res.param_list)\
+                            and param in param_list:
+                            param_list.remove(param)
+                    elif not model.is_fittable(param) and \
                         param in param_list:
                         param_list.remove(param)
@@ -1361 +1367 @@
                     batch_outputs["Chi2"].append(ERROR)
                     for param in param_list:
-                        # save value of  fixed parameters
+                        # Save value of  fixed parameters
                         if param not in res.param_list:
                             batch_outputs[str(param)].append(ERROR)
                         else:
-                            #save only fitted values
+                            # Save only fitted values
                             batch_outputs[param].append(ERROR)
                             batch_inputs["error on %s" % str(param)].append(ERROR)

src/sas/sasgui/perspectives/fitting/media/fitting_help.rst

@@ -195 +195 @@
 the :ref:`Advanced_Plugin_Editor` .
 
+**SasView version 4.2** made it possible to specify whether a plugin created with 
+the *New Plugin Model* dialog is actually a form factor P(Q) or a structure factor 
+S(Q). To do this, simply add one or other of the following lines under the *import* 
+statements.
+
+For a form factor::
+
+     form_factor = True
+         
+or for a structure factor::
+
+     structure_factor = True
+         
+If the plugin is a structure factor it is *also* necessary to add two variables to 
+the parameter list::
+
+     parameters = [ 
+                     ['radius_effective', '', 1, [0.0, numpy.inf], 'volume', ''],
+                     ['volfraction', '', 1, [0.0, 1.0], '', ''],
+                     [...],
+
+and to the declarations of the functions Iq and Iqxy:::
+
+     def Iq(x , radius_effective, volfraction, ...):
+
+     def Iqxy(x, y, radius_effective, volfraction, ...):
+
+Such a plugin should then be available in the S(Q) drop-down box on a FitPage (once 
+a P(Q) model has been selected).
+
 Sum|Multi(p1,p2)
 ^^^^^^^^^^^^^^^^
@@ -206 +236 @@
 or::
 
-     Plugin Model = scale_factor * model_1 /* model_2 + background
+     Plugin Model = scale_factor * (model1 * model2) + background
 
 In the *Easy Sum/Multi Editor* give the new model a function name and brief
 description (to appear under the *Details* button on the *FitPage*). Then select
 two existing models, as p1 and p2, and the required operator, '+' or '*' between
-them. Finally, click the *Apply* button to generate the model and then click *Close*.
-
-Any changes to a plugin model generated in this way only become effective *after* it is re-selected from the model drop-down menu on the FitPage.
+them. Finally, click the *Apply* button to generate and test the model and then click *Close*.
+
+Any changes to a plugin model generated in this way only become effective *after* it is re-selected 
+from the plugin models drop-down menu on the FitPage. If the model is not listed you can force a 
+recompilation of the plugins by selecting *Fitting* > *Plugin Model Operations* > *Load Plugin Models*.
+
+**SasView version 4.2** introduced a much simplified and more extensible structure for plugin models 
+generated through the Easy Sum/Multi Editor. For example, the code for a combination of a sphere model 
+with a power law model now looks like this::
+
+     from sasmodels.core import load_model_info
+     from sasmodels.sasview_model import make_model_from_info
+     
+     model_info = load_model_info('sphere+power_law')
+     model_info.name = 'MyPluginModel'
+     model_info.description = 'sphere + power_law'
+     Model = make_model_from_info(model_info)
+
+To change the models or operators contributing to this plugin it is only necessary to edit the string 
+in the brackets after *load_model_info*, though it would also be a good idea to update the model name 
+and description too!!!
+
+The model specification string can handle multiple models and combinations of operators (+ or *) which 
+are processed according to normal conventions. Thus 'model1+model2*model3' would be valid and would 
+multiply model2 by model3 before adding model1. In this example, parameters in the *FitPage* would be 
+prefixed A (for model2), B (for model3) and C (for model1). Whilst this might appear a little 
+confusing, unless you were creating a plugin model from multiple instances of the same model the parameter 
+assignments ought to be obvious when you load the plugin.
+
+If you need to include another plugin model in the model specification string, just prefix the name of 
+that model with *custom*. For instance::
+
+     sphere+custom.MyPluginModel
+
+To create a P(Q)*\S(Q) model use the @ symbol instead of * like this::
+
+     sphere@hardsphere
+     
+This streamlined approach to building complex plugin models from existing library models, or models 
+available on the *Model Marketplace*, also permits the creation of P(Q)*\S(Q) plugin models, something 
+that was not possible in earlier versions of SasView. 
 
 .. _Advanced_Plugin_Editor:

src/sas/sasgui/perspectives/fitting/media/plugin.rst

@@ -18 +18 @@
 * By writing a model from scratch outside of SasView (only recommended for
   code monkeys!)
+
+**What follows below is quite technical. If you just want a helping hand to get 
+started creating your own models see** :ref:`Adding_your_own_models`.
 
 Overview