added to diagnostics

idaes/core/util/model_diagnostics.py

@@ -100,6 +100,7 @@
     deactivated_objectives_set,
     variables_in_activated_constraints_set,
     variables_not_in_activated_constraints_set,
+    variables_with_none_value_in_activated_equalities_set,
     number_activated_greybox_equalities,
     number_deactivated_greybox_equalities,
     activated_greybox_block_set,
@@ -631,6 +632,50 @@ def display_variables_with_none_value(self, stream=None):
             footer="=",
         )
 
+    def display_variables_with_none_value_in_activated_constraints(self, stream=None):
+        """
+        Prints a list of variables with values of None that are present in the 
+        mathematical program generated to solve the model. This list includes only 
+        variables in active constraints that are reachable through active blocks.
+
+        Args:
+            stream: an I/O object to write the list to (default = stdout)
+
+        Returns:
+            None
+
+        """
+        if stream is None:
+            stream = sys.stdout
+
+        _write_report_section(
+            stream=stream,
+            lines_list=[
+                f"{v.name}"
+                for v in variables_with_none_value_in_activated_equalities_set(self._model)
+            ],
+            title=f"The following variable(s) have a value of None:",
+            header="=",
+            footer="=",
+        )
+
+    def _verify_active_variables_initialized(self, stream=None):
+        """
+        Validate that all variables are initialized (i.e., have values set to 
+        something other than None) before doing further numerical analysis. 
+        Stream argument provided for forward compatibility (in case we want 
+        to print a list or something).
+        """
+        n_uninit = len(variables_with_none_value_in_activated_equalities_set(self._model))
+        if n_uninit > 0:
+            raise RuntimeError(
+                f"Found {n_uninit} variables with a value of None in the mathematical "
+                "program generated by the model. They must be initialized with non-None "
+                "values before numerical analysis can proceed. Run "
+                + self.display_variables_with_none_value_in_activated_constraints.__name__
+                + " to display a list of these variables."
+            )
+
     def display_variables_with_value_near_zero(self, stream=None):
         """
         Prints a list of variables with a value close to zero. The tolerance
@@ -928,6 +973,8 @@ def display_overconstrained_set(self, stream=None):
 
         stream.write("=" * MAX_STR_LENGTH + "\n")
 
+
+
     def display_variables_with_extreme_jacobians(self, stream=None):
         """
         Prints the variables associated with columns in the Jacobian with extreme
@@ -942,6 +989,8 @@ def display_variables_with_extreme_jacobians(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -977,6 +1026,8 @@ def display_constraints_with_extreme_jacobians(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1013,6 +1064,8 @@ def display_extreme_jacobian_entries(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1046,6 +1099,8 @@ def display_near_parallel_constraints(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1078,6 +1133,8 @@ def display_near_parallel_variables(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1161,6 +1218,8 @@ def display_constraints_with_mismatched_terms(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1194,6 +1253,8 @@ def display_constraints_with_canceling_terms(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1232,6 +1293,8 @@ def display_problematic_constraint_terms(
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1321,6 +1384,11 @@ def display_constraints_with_no_free_variables(self, stream=None):
             None
 
         """
+        # Although, in principle, this method doesn't require
+        # all variables to be initialized, its current 
+        # implementation does.
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
 
@@ -1803,6 +1871,8 @@ def report_numerical_issues(self, stream=None):
             None
 
         """
+        self._verify_active_variables_initialized(stream=stream)
+
         if stream is None:
             stream = sys.stdout
         jac, nlp = get_jacobian(self._model, scaled=False)

idaes/core/util/model_statistics.py

@@ -1729,37 +1729,38 @@ def number_active_variables_in_deactivated_blocks(block):
     """
     return len(active_variables_in_deactivated_blocks_set(block))
 
-def uninitialized_variables_in_activated_equalities_set(block):
+def variables_with_none_value_in_activated_equalities_set(block):
     """
-    Method to return a ComponentSet of all fixed Var components which appear
-    within an equality Constraint in a model.
+    Method to return a ComponentSet of all Var components which 
+    have a value of None in the set of activated constraints.
 
     Args:
         block : model to be studied
 
     Returns:
-        A ComponentSet including all fixed Var components which appear within
-        activated equality Constraints in block
+        A ComponentSet including all Var components which 
+        have a value of None in the set of activated constraints.
     """
     var_set = ComponentSet()
     for v in variables_in_activated_equalities_set(block):
         if v.value is None:
             var_set.add(v)
     return var_set
 
-def number_uninitialized_variables_in_activated_equalities(block):
+def number_variables_with_none_value_in_activated_equalities(block):
     """
-    Method to return the number of Var components which appear within an active
-    Constraint but belong to a deactivated Block in a model.
+    Method to return the number of Var components which 
+    have a value of None in the set of activated constraints.
 
     Args:
         block : model to be studied
 
     Returns:
-        Number of Var components which belong to a deactivated Block but appear
-        in an activate Constraint in block
+        Number of Var components which 
+        have a value of None in the set of activated constraints.
     """
-    return len(uninitialized_variables_in_activated_equalities_set(block))
+
+    return len(variables_with_none_value_in_activated_equalities_set(block))
 
 # -------------------------------------------------------------------------
 # Reporting methods

idaes/core/util/tests/test_model_diagnostics.py

@@ -184,6 +184,128 @@ def test_vars_near_zero(model):
     for i in near_zero_vars:
         assert i is model.v1
 
+class TestVariablesWithNoneValue:
+    def err_msg(self, j):
+        return  (
+            f"Found {j} variables with a value of None in the mathematical "
+            "program generated by the model. They must be initialized with non-None "
+            "values before numerical analysis can proceed. Run "
+            + DiagnosticsToolbox.display_variables_with_none_value_in_activated_constraints.__name__
+            + " to display a list of these variables."
+        )
+
+    @pytest.fixture(scope="function")
+    def model(self):
+        m = ConcreteModel()
+        m.u = Var()
+        m.w = Var(initialize=1)
+        m.x = Var(initialize=1)
+        m.y = Var(range(3), initialize=[1, None, 2])
+        m.z = Var()
+
+        m.con_w = Constraint(expr= m.w == 0)
+        m.con_x = Constraint(expr= m.x == 1)
+        def rule_con_y(b, i):
+            return b.y[i] == 3
+        m.con_y = Constraint(range(3), rule=rule_con_y)
+        m.con_z = Constraint(expr= m.x + m.z == -1)
+
+        m.block1 = Block()
+        m.block1.a = Var()
+        m.block1.b = Var(initialize=7)
+        m.block1.c = Var(initialize=-5)
+        m.block1.d = Var()
+
+        m.block1.con_a = Constraint(expr= m.block1.a**2 + m.block1.b == 1)
+        m.block1.con_b = Constraint(expr= m.block1.b + m.block1.c == 3)
+        m.block1.con_c = Constraint(expr= m.block1.c + m.block1.a == -4)
+        return m
+    @pytest.mark.unit
+    def test_verify_active_variables_initialized(self, model):
+        diag_tbx = DiagnosticsToolbox(model)
+        with pytest.raises(
+            RuntimeError,
+            match=self.err_msg(3),
+        ):
+            diag_tbx._verify_active_variables_initialized()
+
+        model.block1.deactivate()
+        with pytest.raises(
+            RuntimeError,
+            match=self.err_msg(2),
+        ):
+            diag_tbx._verify_active_variables_initialized()
+
+        model.con_y[1].deactivate()
+        model.con_z.deactivate()
+        # No uninitialized variables in remaining constraints
+        diag_tbx._verify_active_variables_initialized()
+
+    @pytest.mark.unit
+    def test_error_handling(self, model):
+        diag_tbx = DiagnosticsToolbox(model)
+        methods = [
+            "display_variables_with_extreme_jacobians",
+            "display_constraints_with_extreme_jacobians",
+            "display_extreme_jacobian_entries",
+            "display_near_parallel_constraints",
+            "display_near_parallel_variables",
+            "display_constraints_with_mismatched_terms",
+            "display_constraints_with_canceling_terms",
+            # "display_problematic_constraint_terms",
+            "display_constraints_with_no_free_variables",
+            "report_numerical_issues",
+        ]
+        for mthd in methods:
+            mthd_obj = getattr(diag_tbx, mthd)
+            with pytest.raises(
+                RuntimeError,
+                match=self.err_msg(3),
+            ):
+                mthd_obj()
+
+    @pytest.mark.unit
+    def test_display_problematic_constraint_terms(self, model):
+        """
+        This method needs to be split in a separate function 
+        because it takes a constraint as an argument.
+        """
+        diag_tbx = DiagnosticsToolbox(model)
+        with pytest.raises(
+            RuntimeError,
+            match=self.err_msg(3),
+        ):
+            diag_tbx.display_problematic_constraint_terms(
+                model.con_y[1]
+            )
+        # Right now the error message should show whether or not
+        # a problematic constraint is called.
+        with pytest.raises(
+            RuntimeError,
+            match=self.err_msg(3),
+        ):
+            diag_tbx.display_problematic_constraint_terms(
+                model.con_y[0]
+            )
+    @pytest.mark.unit
+    def test_display_variables_with_none_value_in_activated_constraints(self, model):
+        diag_tbx = DiagnosticsToolbox(model)
+        stream = StringIO()
+
+        diag_tbx.display_variables_with_none_value_in_activated_constraints(
+            stream=stream,
+        )
+
+        expected = """====================================================================================
+The following variable(s) have a value of None:
+
+    y[1]
+    z
+    block1.a
+
+====================================================================================
+"""
+        assert stream.getvalue() == expected
 
 @pytest.mark.unit
 def test_vars_with_none_value(model):

idaes/core/util/tests/test_model_statistics.py

@@ -657,23 +657,23 @@ def rule_con_y(b, i):
 
     active_uninit_set = ComponentSet([m.y[1], m.z, m.block1.a])
 
-    assert uninitialized_variables_in_activated_equalities_set(m) == active_uninit_set
-    assert number_uninitialized_variables_in_activated_equalities(m) == len(active_uninit_set)
+    assert variables_with_none_value_in_activated_equalities_set(m) == active_uninit_set
+    assert number_variables_with_none_value_in_activated_equalities(m) == len(active_uninit_set)
 
     m.block1.deactivate()
 
     active_uninit_set = ComponentSet([m.y[1], m.z])
 
-    assert uninitialized_variables_in_activated_equalities_set(m) == active_uninit_set
-    assert number_uninitialized_variables_in_activated_equalities(m) == len(active_uninit_set)
+    assert variables_with_none_value_in_activated_equalities_set(m) == active_uninit_set
+    assert number_variables_with_none_value_in_activated_equalities(m) == len(active_uninit_set)
 
     m.block1.activate()
     m.con_z.deactivate()
 
     active_uninit_set = ComponentSet([m.y[1], m.block1.a])
 
-    assert uninitialized_variables_in_activated_equalities_set(m) == active_uninit_set
-    assert number_uninitialized_variables_in_activated_equalities(m) == len(active_uninit_set)
+    assert variables_with_none_value_in_activated_equalities_set(m) == active_uninit_set
+    assert number_variables_with_none_value_in_activated_equalities(m) == len(active_uninit_set)
 
 # -------------------------------------------------------------------------
 # Objective methods