Merge pull request spacetelescope#1864 from kecnry/model-residuals

Model fitting residuals

CHANGES.rst

@@ -8,6 +8,9 @@ New Features
 
 - Spinner in plot options while processing changes to contour settings. [#1794]
 
+- Model fitting plugin can optionally expose the residuals as an additional data collection entry.
+  [#1864]
+
 Cubeviz
 ^^^^^^^
 

jdaviz/components/plugin_add_results.vue

@@ -40,6 +40,8 @@
       </v-switch>
     </v-row>
 
+    <slot></slot>
+
     <v-row justify="end">
       <j-tooltip :tooltipcontent="label_overwrite ? action_tooltip+' and replace existing entry' : action_tooltip">
         <v-btn :disabled="label_invalid_msg.length > 0 || action_disabled"

jdaviz/configs/default/plugins/model_fitting/model_fitting.py

@@ -59,10 +59,15 @@ class ModelFitting(PluginTemplateMixin, DatasetSelectMixin,
     * :meth:`get_model_component`
     * :meth:`set_model_component`
     * ``equation`` (:class:`~jdaviz.core.template_mixin.AutoTextField`)
-    * ``add_results`` (:class:`~jdaviz.core.template_mixin.AddResults`)
     * ``cube_fit``
       Only exposed for Cubeviz.  Whether to fit the model to the cube instead of to the
       collapsed spectrum.
+    * ``add_results`` (:class:`~jdaviz.core.template_mixin.AddResults`)
+    * ``residuals_expose`` (bool)
+      Whether to calculate and expose the residuals (model minus data).
+    * ``residuals`` (:class:`~jdaviz.core.template_mixin.AutoTextField`)
+      Label of the residuals to apply when calling :meth:`calculate_fit` if ``residuals_expose``
+      is ``True``.
     * :meth:`calculate_fit`
     """
     dialog = Bool(False).tag(sync=True)
@@ -93,6 +98,13 @@ class ModelFitting(PluginTemplateMixin, DatasetSelectMixin,
 
     cube_fit = Bool(False).tag(sync=True)
 
+    # residuals (non-cube fit only)
+    residuals_expose = Bool(False).tag(sync=True)
+    residuals_label = Unicode().tag(sync=True)
+    residuals_label_default = Unicode().tag(sync=True)
+    residuals_label_auto = Bool(True).tag(sync=True)
+    residuals_label_invalid_msg = Unicode('').tag(sync=True)
+
     def __init__(self, *args, **kwargs):
         self._spectrum1d = None
         super().__init__(*args, **kwargs)
@@ -138,6 +150,9 @@ def __init__(self, *args, **kwargs):
         self.equation = AutoTextField(self, 'model_equation', 'model_equation_default',
                                       'model_equation_auto', 'model_equation_invalid_msg')
 
+        self.residuals = AutoTextField(self, 'residuals_label', 'residuals_label_default',
+                                       'residuals_label_auto', 'residuals_label_invalid_msg')
+
         # set the filter on the viewer options
         self._update_viewer_filters()
 
@@ -149,7 +164,7 @@ def user_api(self):
         expose += ['spectral_subset', 'model_component', 'poly_order', 'model_component_label',
                    'model_components', 'create_model_component', 'remove_model_component',
                    'get_model_component', 'set_model_component',
-                   'equation', 'add_results']
+                   'equation', 'add_results', 'residuals_expose', 'residuals']
         if self.config == "cubeviz":
             expose += ['cube_fit']
         expose += ['calculate_fit']
@@ -620,6 +635,10 @@ def _set_default_results_label(self, event={}):
         label_comps += ["model"]
         self.results_label_default = " ".join(label_comps)
 
+    @observe("results_label")
+    def _set_residuals_label_default(self, event={}):
+        self.residuals_label_default = self.results_label+" residuals"
+
     @observe("cube_fit")
     def _update_viewer_filters(self, event={}):
         if event.get('new', self.cube_fit):
@@ -643,6 +662,7 @@ def calculate_fit(self, add_data=True):
         -------
         fitted model
         fitted spectrum/cube
+        residuals (if ``residuals_expose`` is set to ``True``)
         """
         if self.cube_fit:
             return self._fit_model_to_cube(add_data=add_data)
@@ -684,7 +704,16 @@ def _fit_model_to_spectrum(self, add_data):
 
         if add_data:
             self.app.fitted_models[self.results_label] = fitted_model
-            self._register_spectrum({"spectrum": fitted_spectrum})
+            self.add_results.add_results_from_plugin(fitted_spectrum)
+
+            if self.residuals_expose:
+                # NOTE: this will NOT load into the viewer since we have already called
+                # add_results_from_plugin above.
+                self.add_results.add_results_from_plugin(self._spectrum1d-fitted_spectrum,
+                                                         label=self.residuals.value,
+                                                         replace=False)
+
+        self._set_default_results_label()
 
         # Update component model parameters with fitted values
         if isinstance(self._fitted_model, QuantityModel):
@@ -699,6 +728,8 @@ def _fit_model_to_spectrum(self, add_data):
         # Reset the data mask in case we use a different subset next time
         self._spectrum1d.mask = self._original_mask
 
+        if self.residuals_expose:
+            return fitted_model, fitted_spectrum, self._spectrum1d-fitted_spectrum
         return fitted_model, fitted_spectrum
 
     def _fit_model_to_cube(self, add_data):
@@ -780,29 +811,6 @@ def _fit_model_to_cube(self, add_data):
 
         return fitted_model, output_cube
 
-    def _register_spectrum(self, event):
-        """
-        Add a spectrum to the data collection based on the currently displayed
-        parameters (these could be user input or fit values).
-        """
-        if self._warn_if_no_equation():
-            return
-        # Make sure the initialized models are updated with any user-specified
-        # parameters
-        self._update_initialized_parameters()
-
-        # Need to run the model fitter with run_fitter=False to get spectrum
-        if "spectrum" in event:
-            spectrum = event["spectrum"]
-        else:
-            model, spectrum = fit_model_to_spectrum(self._spectrum1d,
-                                                    self._initialized_models.values(),
-                                                    self.model_equation,
-                                                    window=self._window)
-
-        self.add_results.add_results_from_plugin(spectrum)
-        self._set_default_results_label()
-
     def _apply_subset_masks(self, spectrum, subset_component):
         """
         For a spectrum/spectral cube ``spectrum``, add a mask attribute

jdaviz/configs/default/plugins/model_fitting/model_fitting.vue

@@ -192,7 +192,29 @@
         action_tooltip="Fit the model to the data"
         :action_disabled="model_equation_invalid_msg.length > 0"
         @click:action="apply"
-      ></plugin-add-results>
+      >
+        <div v-if="config!=='cubeviz' || !cube_fit">
+          <v-row>
+            <v-switch
+              v-model="residuals_expose"
+              label="Expose residuals"
+              hint="Whether to compute and export residuals (data minus model)."
+              persistent-hint
+            ></v-switch>
+          </v-row>
+
+          <plugin-auto-label
+            v-if="residuals_expose"
+            :value.sync="residuals_label"
+            :default="residuals_label_default"
+            :auto.sync="residuals_label_auto"
+            :invalid_msg="residuals_label_invalid_msg"
+            label="Residuals Data Label"
+            hint="Label for the residuals.  Data entry will not be loaded into the viewer automatically."
+          ></plugin-auto-label>
+
+        </div>
+      </plugin-add-results>
 
       <v-row>
         <span class="v-messages v-messages__message text--secondary">

jdaviz/configs/default/plugins/model_fitting/tests/test_plugin.py

@@ -202,7 +202,8 @@ def test_fit_gaussian_with_fixed_mean(specviz_helper, spectrum1d):
     old_mean = params[1]['value']
     old_std = params[2]['value']
 
-    result = modelfit_plugin.calculate_fit()[0]
+    modelfit_plugin.residuals_expose = True
+    result, spectrum, resids = modelfit_plugin.calculate_fit()
 
     # Make sure mean is really fixed.
     assert_allclose(result.mean.value, old_mean)

jdaviz/core/template_mixin.py

@@ -1696,14 +1696,17 @@ def _on_label_changed(self, msg={}):
         self.label_invalid_msg = ''
         self.label_overwrite = False
 
-    def add_results_from_plugin(self, data_item, replace=None):
+    def add_results_from_plugin(self, data_item, replace=None, label=None):
         """
         Add ``data_item`` to the app's data_collection according to the default or user-provided
         label and adds to any requested viewers.
         """
         if self.label_invalid_msg:
             raise ValueError(self.label_invalid_msg)
 
+        if label is None:
+            label = self.label
+
         if replace is None:
             replace = self.viewer.selected_reference != 'spectrum-viewer'
 
@@ -1714,29 +1717,29 @@ def add_results_from_plugin(self, data_item, replace=None):
             viewer_item = self.app._viewer_item_by_reference(viewer_reference)
             viewer = self.app.get_viewer(viewer_reference)
             viewer_loaded_labels = [layer.layer.label for layer in viewer.layers]
-            add_to_viewer_selected = viewer_reference if self.label in viewer_loaded_labels else 'None'  # noqa
-            visible = self.label in viewer_item['visible_layers']
+            add_to_viewer_selected = viewer_reference if label in viewer_loaded_labels else 'None'  # noqa
+            visible = label in viewer_item['visible_layers']
         else:
             add_to_viewer_selected = self.add_to_viewer_selected
             visible = True
 
-        if self.label in self.app.data_collection:
+        if label in self.app.data_collection:
             if add_to_viewer_selected != 'None':
-                self.app.remove_data_from_viewer(self.viewer.selected_reference, self.label)
-            self.app.data_collection.remove(self.app.data_collection[self.label])
+                self.app.remove_data_from_viewer(self.viewer.selected_reference, label)
+            self.app.data_collection.remove(self.app.data_collection[label])
 
         if not hasattr(data_item, 'meta'):
             data_item.meta = {}
         data_item.meta['Plugin'] = self._plugin.__class__.__name__
         if self.app.config == 'mosviz':
             data_item.meta['mosviz_row'] = self.app.state.settings['mosviz_row']
-        self.app.add_data(data_item, self.label)
+        self.app.add_data(data_item, label)
 
         if add_to_viewer_selected != 'None':
             # replace the contents in the selected viewer with the results from this plugin
             # TODO: switch to an instance/classname check?
             self.app.add_data_to_viewer(self.viewer.selected_id,
-                                        self.label,
+                                        label,
                                         visible=visible, clear_other_data=replace)
 
         # update overwrite warnings, etc