last chance fix for coerce_estimates. bug-fix for clip_composition.

elphick/geomet/base.py

@@ -372,12 +372,14 @@ def clip_composition(self, ranges: Optional[dict[str, list[float]]] = None, epsi
         affected_indexes = set()
         for component, component_range in component_ranges.items():
             before_clip = self._mass_data[component].copy()
+            # add a small value to the range to ensure the clipped values lie marginally inside the specified range.
+            component_range = [component_range[0] + epsilon, component_range[1] - epsilon]
             # define the component mass that aligns with the lower and upper bounds
             component_mass_limits = self._mass_data[self.mass_dry_var].values[:, np.newaxis] * np.array(
                 component_range) / self.composition_factor
             # apply the clip to the mass data
-            self._mass_data[component] = self._mass_data[component].clip(lower=component_mass_limits[:, 0] + epsilon,
-                                                                         upper=component_mass_limits[:, 1] - epsilon)
+            self._mass_data[component] = self._mass_data[component].clip(lower=component_mass_limits[:, 0],
+                                                                         upper=component_mass_limits[:, 1])
             affected_indexes.update(self._mass_data.index[before_clip != self._mass_data[component]])
 
         # log the action, including the first 50 indexes affected

elphick/geomet/utils/estimates.py

@@ -49,6 +49,12 @@ def coerce_estimates(estimate_stream: Stream, input_stream: Stream,
                                                name=f"{fs_name}: Balance prior to coercion")
         fs.table_plot(plot_type='network', table_area=0.2, table_pos='top').show()
 
+        # # debugging snippet to show a failing record
+        # qry: str = 'index==1000'
+        # fs_debug: Flowsheet = fs.query(qry)
+        # fs_debug.name = f"{fs_name}: Balance prior to coercion: [{qry}]"
+        # fs_debug.table_plot(plot_type='network', table_area=0.2, table_pos='top').show()
+
     if input_stream.status.ok is False:
         raise ValueError('Input stream is not OK')
 
@@ -78,7 +84,14 @@ def coerce_estimates(estimate_stream: Stream, input_stream: Stream,
                                        include_supplementary_data=True)
 
     if estimate_stream.status.ok is False:
-        raise ValueError('Estimate stream is not OK after adjustment')
+        # This can occur in cases where the complement grade has been reduced (by balance_composition) to a point
+        # where the resultant estimate grade is out of range.  In this case, we need to adjust the complement grade.
+
+        estimate_stream = estimate_stream.clip_composition()
+        complement_stream = input_stream.sub(estimate_stream, name=complement_name)
+
+        if estimate_stream.status.ok is False:
+            raise ValueError('Estimate stream is not OK after adjustment')
 
     fs2: Flowsheet = Flowsheet.from_objects([input_stream, estimate_stream, complement_stream],
                                             name=f"{fs_name}: Coerced Estimates")