Changeset 9258c43c in sasview for src/sas/sasgui/perspectives/fitting

Timestamp:

Jun 3, 2018 6:33:35 AM (6 years ago)

Author:

GitHub <noreply@…>

Branches:

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

Children:

316b9c1

Parents:

de43192 (diff), 8b89396 (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@…> (06/03/18 06:33:35)

git-committer:

GitHub <noreply@…> (06/03/18 06:33:35)

Message:

Merge pull request #151 from SasView?/ticket885b

Ticket885b

This reverts to no polydisperse parameters — ticket #885 needs to be updated to be a feature request adding polydispersity … correctly this time.

Location:

src/sas/sasgui/perspectives/fitting

Files:

• media/fitting_help.rst (modified) (2 diffs)
• basepage.py (modified) (5 diffs)
• fitpage.py (modified) (2 diffs)
• media/residuals_help.rst (modified) (3 diffs)

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

@@ -180 +180 @@
 *checked*\ .
 
-Also note that the 'Fit Parameters' have been split into two sections: those
-which can be polydisperse (shape and orientation parameters) and those which are
-not (eg, scattering length densities).
-
 A model file generated by this option can be viewed and further modified using
 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.
+Note that the New Plugin Model Feature currently does not allow for parameters
+to be polydisperse.  However they can be edited in the Advanced 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::
@@ -200 +200 @@
      structure_factor = True
 
-If the plugin is a structure factor it is *also* necessary to add two variables to
-the parameter list::
+If the plugin is a structure factor it is *also* necessary to add two variables
+to the parameter list::
 
      parameters = [

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

@@ -641 +641 @@
         # get the strings for report
         report_str, text_str = self.state.report(fig_urls=refs)
-
         # Show the dialog
         report_list = [report_str, text_str, images]
-        dialog = ReportDialog(report_list, None, wx.ID_ANY, "")
+        dialog = ReportDialog(report_list, imgRAM, refs, None, wx.ID_ANY, "")
         dialog.Show()
 
@@ -677 +676 @@
             refs.append('memory:' + name)
             imgRAM.AddFile(name, canvas.bitmap, wx.BITMAP_TYPE_PNG)
-
             # append figs
             images.append(fig)
@@ -1472 +1470 @@
             # we need to check here ourselves.
             if not is_modified:
-                is_modified = (self._check_value_enter(self.fittable_param)
-                               or self._check_value_enter(self.fixed_param)
-                               or self._check_value_enter(self.parameters))
+                is_modified = self._check_value_enter(self.fittable_param)
+                is_modified = self._check_value_enter(
+                    self.fixed_param) or is_modified
+                is_modified = self._check_value_enter(
+                    self.parameters) or is_modified
 
             # Here we should check whether the boundaries have been modified.
@@ -1536 +1536 @@
                         data=[self.data])
             # Check the values
-            is_modified = (self._check_value_enter(self.fittable_param)
-                           or self._check_value_enter(self.fixed_param)
-                           or self._check_value_enter(self.parameters))
+            is_modified = self._check_value_enter(self.fittable_param)
+            is_modified = self._check_value_enter(self.fixed_param) or is_modified
+            is_modified = self._check_value_enter(self.parameters) or is_modified
 
             # If qmin and qmax have been modified, update qmin and qmax and
@@ -2324 +2324 @@
 
             # Update value in model if it has changed
-            if value != self.model.getParam(name):
+            if (value != self.model.getParam(name) or
+                    (np.isnan(value) and np.isnan(self.model.getParam(name)))):
                 self.model.setParam(name, value)
                 is_modified = True

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

@@ -365 +365 @@
         # StaticText for chi2, N(for fitting), Npts + Log/linear spacing
         self.tcChi = BGTextCtrl(self, wx.ID_ANY, "-", size=(75, 20), style=0)
-        self.tcChi.SetToolTipString("Chi2/Npts(Fit)")
+        self.tcChi.SetToolTipString("Chi2/DOF (DOF=Npts-Npar fitted)")
         self.Npts_fit = BGTextCtrl(self, wx.ID_ANY, "-", size=(75, 20), style=0)
         self.Npts_fit.SetToolTipString(
@@ -391 +391 @@
         self.points_sizer.Add(self.pointsbox)
 
-        box_description_1 = wx.StaticText(self, wx.ID_ANY, '   Chi2/Npts')
+        box_description_1 = wx.StaticText(self, wx.ID_ANY, 'Reduced Chi2')
         box_description_2 = wx.StaticText(self, wx.ID_ANY, 'Npts(Fit)')
 

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

@@ -27 +27 @@
 
 $\chi^2$ is a statistical parameter that quantifies the differences between
-an observed data set and an expected dataset (or 'theory').
-
-When showing the a model with the data, *SasView* displays this parameter
-normalized to the number of data points, $N_\mathrm{pts}$ such that
+an observed data set and an expected dataset (or 'theory') calculated as
 
 .. math::
 
-  \chi^2_N
-  =  \sum[(Y_i - \mathrm{theory}_i)^2 / \mathrm{error}_i^2] / N_\mathrm{pts}
+  \chi^2
+  =  \sum[(Y_i - \mathrm{theory}_i)^2 / \mathrm{error}_i^2]
 
-When performing a fit, *SasView* instead displays the reduced $\chi^2_R$,
-which takes into account the number of fitting parameters $N_\mathrm{par}$
-(to calculate the number of 'degrees of freedom'). This is computed as
+Fitting typically minimizes the value of $\chi^2$.  For assessing the quality of
+the model and its "fit" however, *SasView* displays the traditional reduced
+$\chi^2_R$ which normalizes this parameter by dividing it by the number of
+degrees of freedom (or DOF). The DOF is the number of data points being
+considered, $N_\mathrm{pts}$, reduced by the number of free (i.e. fitted)
+parameters, $N_\mathrm{par}$. Note that model parameters that are kept fixed do
+*not* contribute to the DOF (they are not "free"). This reduced value is then
+given as
 
 .. math::
@@ -47 +49 @@
   / [N_\mathrm{pts} - N_\mathrm{par}]
 
-The normalized $\chi^2_N$ and the reduced $\chi^2_R$ are very close to each
-other when $N_\mathrm{pts} \gg N_\mathrm{par}$.
+Note that this means the displayed value will vary depending on the number of
+parameters used in the fit. In particular, when doing a calculation without a
+fit (e.g. manually changing a parameter) the DOF will now equal $N_\mathrm{pts}$
+and the $\chi^2_R$ will be the smallest possible for that combination of model,
+data set, and set of parameter values.
+
+When $N_\mathrm{pts} \gg N_\mathrm{par}$ as it should for proper fitting, the
+value of the reduced $\chi^2_R$ will not change very much.
 
 For a good fit, $\chi^2_R$ tends to 1.
@@ -90 +98 @@
 | 2015-06-08 Steve King
 | 2017-09-28 Paul Kienzle
+| 2018-03-04 Paul Butler