constained parameters

EasyScience · Nov 18, 2024 · 4c57068 · 4c57068
1 parent 0181639
commit 4c57068
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Showing 3 changed files with 30 additions and 12 deletions.
diff --git a/src/easyreflectometry/summary/html_templates.py b/src/easyreflectometry/summary/html_templates.py
@@ -13,6 +13,7 @@
 
     <body>
         <table>
+
             <!-- Summary title -->
             <tr>
                 <td><h1>Summary</h1></td>
@@ -25,23 +26,23 @@
 
             <!-- Sample -->
             <tr>
-                <td><h3>Sample</h3></td>
+                <td><h2>Sample</h2></td>
             </tr>
             sample_section
 
             <tr></tr>
 
             <!-- Experiments -->
             <tr>
-                <td><h3>Experiments</h3></td>
+                <td><h2>Experiments</h2></td>
             </tr>
             experiments_section
 
             <tr></tr>
             
             <!-- Analysis -->
             <tr>
-                <td><h3>Refinement</h3></td>
+                <td><h2>Refinement</h2></td>
             </tr>
             refinement_section
 
@@ -101,8 +102,8 @@
     <td>radiation_type</td>
 </tr>
 <tr>
-    <td>Measured range: min, max, inc (range_units)</td>
-    <td>range_min,&nbsp;&nbsp;range_max,&nbsp;&nbsp;range_inc</td>
+    <td>Measured range: min, max</td>
+    <td>range_min,&nbsp;&nbsp;range_max,&nbsp;&nbsp</td>
 </tr>
 <tr>
     <td>No. of data points</td>
@@ -119,10 +120,10 @@
     <td>Minimization engine</td>
     <td>minimization_engine</td>
 </tr>
-<tr>
-    <td>Goodness-of-fit: reduced <i>&chi;</i><sup>2</sup></td>
-    <td>goodness_of_fit</td>
-</tr>
+<!-- <tr> -->
+<!--     <td>Goodness-of-fit: reduced <i>&chi;</i><sup>2</sup></td> -->
+<!--     <td>goodness_of_fit</td> -->
+<!-- </tr> -->
 <tr>
     <td>No. of parameters: total, free, fixed</td>
     <td>num_total_params, num_free_params, num_fixed_params</td>

diff --git a/src/easyreflectometry/summary/summary.py b/src/easyreflectometry/summary/summary.py
@@ -1,6 +1,9 @@
+from easyscience import global_object
+
 from easyreflectometry import Project
 from easyreflectometry.utils import count_fixed_parameters
 from easyreflectometry.utils import count_free_parameters
+from easyreflectometry.utils import count_parameter_user_constraints
 
 from .html_templates import HTML_DATA_COLLECTION_TEMPLATE
 from .html_templates import HTML_PARAMETER_HEADER_TEMPLATE
@@ -45,7 +48,6 @@ def _project_information_section(self) -> None:
             short_description = self._project._info['short_description']
             html_project = html_project.replace('project_title', f'{name}')
             html_project = html_project.replace('project_description', f'{short_description}')
-            #            html_project = html_project.replace('num_phases', f'{self._project.status.phaseCount}')
             html_project = html_project.replace('num_experiments', f'{len(self._project.experiments)}')
         return html_project
 
@@ -60,7 +62,13 @@ def _sample_section(self) -> None:
         html_parameters.append(html_parameter)
 
         for parameter in self._project.parameters:
-            name = parameter.name
+            path = global_object.map.find_path(
+                self._project._models[self._project.current_model_index].unique_name, parameter.unique_name
+            )
+            if 0 < len(path):
+                name = f'{global_object.map.get_item_by_key(path[-2]).name} {global_object.map.get_item_by_key(path[-1]).name}'
+            else:
+                name = parameter.name
             value = parameter.value
             unit = parameter.unit
             error = parameter.error
@@ -157,7 +165,7 @@ def _refinement_section(
         num_params = num_free_params + num_fixed_params
         #        goodness_of_fit = self._project.status.goodnessOfFit
         #        goodness_of_fit = goodness_of_fit.split(' → ')[-1]
-        num_constraints = 0
+        num_constraints = count_parameter_user_constraints(self._project)
 
         html_refinement = html_refinement.replace('calculation_engine', f'{self._project._calculator.current_interface_name}')
         html_refinement = html_refinement.replace('minimization_engine', f'{self._project.minimizer.name}')

diff --git a/src/easyreflectometry/utils.py b/src/easyreflectometry/utils.py
@@ -89,3 +89,12 @@ def count_fixed_parameters(project) -> int:
         if not parameter.free:
             count = count + 1
     return count
+
+
+def count_parameter_user_constraints(project) -> int:
+    count = 0
+    parameters = project.parameters
+    for parameter in parameters:
+        if parameter.constraint:
+            count = count + len(parameter.user_constraints.keys())
+    return count