improvement to PO-sim

biosteam/_system.py

@@ -120,24 +120,29 @@ def solve(self):
                 values.append(value)
             return objs, np.array(values)
         A, objs = dictionaries2array(self.A)
-        b = np.array(b).T
-        if A.ndim == 2:
+        if A.ndim == 3:
+            A_ = A
+            b_ = np.array(b).T
+            objs_ = objs
+            values = []
+            for A, b in zip(A_, b_):
+                rows = A.any(axis=0)
+                cols = A.any(axis=1)
+                b = [j for (i, j) in zip(rows, b)]
+                A = A[rows][:, cols]
+                objs = [j for (i, j) in zip(cols, objs_) if i]
+                values.append(solve(A, b).T)
+            values = np.array(values).T
+        else:
             rows = A.any(axis=0)
             cols = A.any(axis=1)
+            b = np.array(b).T
             b = [j for (i, j) in zip(rows, b)]
             A = A[rows][:, cols]
             objs = [j for (i, j) in zip(cols, objs) if i]
-        else:
-            # TODO: A.ndim == 3
-            pass
-        try:
             values = solve(A, b).T
-        except Exception as e:
-            # for i in self.A:
-            #     print('--')
-            #     for i, j in i.items():
-            #         print(i.ID, j)
-            raise e
+        if np.isnan(values).any(): 
+            raise RuntimeError('nan value in variables')
         for obj, value in zip(objs, values): 
             obj._update_decoupled_variable(variable, value)
         if variable in ('mol', 'mol-LLE'):
@@ -685,7 +690,7 @@ class System:
     available_methods: Methods[str, tuple[Callable, bool, dict]] = Methods()
 
     #: Variable solution priority for phenomena oriented simulation.
-    variable_priority: list[str] = ['mol', ('mol-LLE', 'K-pseudo'), 'K', 'T', 'L', 'B']
+    variable_priority: list[str] = ['mol', ('mol-LLE', 'K-pseudo'), 'K', 'B', 'mol', 'T', 'L']
 
     @classmethod
     def register_method(cls, name, solver, conditional=False, **kwargs):
@@ -2222,7 +2227,7 @@ def run(self):
                     self.run_phenomena()
                 except:
                     warn('phenomena-oriented simulation failed; '
-                         'attempting one sequential-modular loop', RuntimeWarning)
+                          'attempting one sequential-modular loop', RuntimeWarning)
                     for i in self.unit_path: i.run()
         else:
             raise RuntimeError(f'unknown algorithm {algorithm!r}')

biosteam/units/phase_equilibrium.py

@@ -504,7 +504,7 @@ def _get_arrays(self):
 
     def _set_arrays(self, IDs, **kwargs):
         IDs_last = self.IDs
-        if IDs_last and IDs_last != IDs:
+        if IDs_last and IDs_last != IDs and len(IDs_last) > len(IDs):
             size = len(IDs_last)
             index = [IDs_last.index(i) for i in IDs]
             for name, array in kwargs.items():
@@ -668,7 +668,7 @@ def _run_vle(self, P=None, update=True):
             y_mol = 0
         K_new = y_mol / x_mol
         if B is None: 
-            if V_total and not L_total:
+            if not L_total:
                 self.B = inf
             else:
                 self.B = V_total / L_total

tests/test_phenomena_oriented_simulation.py

@@ -197,7 +197,7 @@ def fresh_solvent_flow_rate():
     for i in range(1): sm_sys.simulate()
     t1 = time.toc()
 
-    assert t0 < 0.75 * t1, 'phenomena-oriented simulation speed should be faster than sequential-modular'
+    assert t0 < 0.2 * t1, 'phenomena-oriented simulation speed should be faster than sequential-modular'
 
     for s_sm, s_dp in zip(sm_sys.streams, dp_sys.streams):
         actual = s_sm.mol
@@ -296,6 +296,7 @@ def adjust_fresh_solvent_flow_rate():
 
     time.tic()
     sm = create_system('sequential modular')
+    sm.flatten()
     sm.set_tolerance(rmol=1e-6, mol=1e-6, subsystems=True, method='fixed-point')
     sm.simulate()
     t_sequential = time.toc()