Changes in / [ca04add:dd4f5ed] in sasmodels

File:

• sasmodels/sasview_model.py (modified) (3 diffs)

sasmodels/sasview_model.py

@@ -169 +169 @@
     return make_model_from_info(model_info)
 
-    
+
 def _register_old_models():
     # type: () -> None
@@ -597 +597 @@
                             % type(qdist))
 
-    def get_composition_models(self):
-        """
-            Returns usable models that compose this model
-        """
-        s_model = None
-        p_model = None
-        if hasattr(self._model_info, "composition") \
-           and self._model_info.composition is not None:
-            p_model = make_model_from_info(self._model_info.composition[1][0])()
-            s_model = make_model_from_info(self._model_info.composition[1][1])()
-        return p_model, s_model
+    def calc_composition_models(self, qx):
+        """
+        returns parts of the composition model or None if not a composition
+        model.
+        """
+        # TODO: have calculate_Iq return the intermediates.
+        #
+        # The current interface causes calculate_Iq() to be called twice,
+        # once to get the combined result and again to get the intermediate
+        # results.  This is necessary for now.
+        # Long term, the solution is to change the interface to calculate_Iq
+        # so that it returns a results object containing all the bits:
+        #     the A, B, C, ... of the composition model (and any subcomponents?)
+        #     the P and S of the product model,
+        #     the combined model before resolution smearing,
+        #     the sasmodel before sesans conversion,
+        #     the oriented 2D model used to fit oriented usans data,
+        #     the final I(q),
+        #     ...
+        #
+        # Have the model calculator add all of these blindly to the data
+        # tree, and update the graphs which contain them.  The fitter
+        # needs to be updated to use the I(q) value only, ignoring the rest.
+        #
+        # The simple fix of returning the existing intermediate results
+        # will not work for a couple of reasons: (1) another thread may
+        # sneak in to compute its own results before calc_composition_models
+        # is called, and (2) calculate_Iq is currently called three times:
+        # once with q, once with q values before qmin and once with q values
+        # after q max.  Both of these should be addressed before
+        # replacing this code.
+        composition = self._model_info.composition
+        if composition and composition[0] == 'product': # only P*S for now
+            with calculation_lock:
+                self._calculate_Iq(qx)
+                return self._intermediate_results
+        else:
+            return None
 
     def calculate_Iq(self, qx, qy=None):
@@ -648 +675 @@
         result = calculator(call_details, values, cutoff=self.cutoff,
                             magnetic=is_magnetic)
+        self._intermediate_results = getattr(calculator, 'results', None)
         calculator.release()
         self._model.release()