Draft of coupling class

pipedream_solver/coupling.py

@@ -0,0 +1,32 @@
+class SpeciesCoupling():
+    def __init__(self, species={}, functions=[], parameters={}):
+        self.species = {}
+        self.functions = []
+        self.parameters = {}
+        for key, value in species.items():
+            if hasattr(self, key):
+                raise NameError
+            setattr(self, key, value)
+            self.species[key] = value
+        for function in functions:
+            if hasattr(self, function.__name__):
+                raise NameError
+            setattr(self, function.__name__, function)
+            self.functions.append(function)
+        for key, value in parameters.items():
+            if hasattr(self, key):
+                raise NameError
+            setattr(self, key, value)
+            self.parameters[key] = value
+
+    def step(self, **kwargs):
+        '''
+        Steps through all functions in `self.functions` in order.
+        '''
+        for function in self.functions:
+            arg_keys = function.__code__.co_varnames
+            # NOTE: Has potential to fail silently
+            arg_values = (getattr(self, key, None) for key in arg_keys)
+            function_inputs = dict(zip(arg_keys, arg_values))
+            function_inputs.update(kwargs)
+            result = function(**function_inputs)

pipedream_solver/nquality.py

@@ -223,7 +223,7 @@ def __init__(self, hydraulics, superjunction_params, superlink_params,
         self.N_process_sigma = superlink_params['KF_process_sigma'].values[0].astype(np.float64)
         self.N_measure_sigma = superlink_params['KF_measure_sigma'].values[0].astype(np.float64)
         self.step(dt=1e-6)
-        
+
     # TODO: It might be safer to have these as @properties
     def import_hydraulic_states(self, _dt):
         self._H_j_next = self.hydraulics.H_j
@@ -277,7 +277,27 @@ def import_hydraulic_states(self, _dt):
                self.hydraulics._geom_codes, self.hydraulics._g1_ik, self._H_j_next, self._z_inv_j, self._H_j_prev, self._Q_dk_next, self._B_dk, self._dx_dk,
                self._Q_uk_up_next, self._Q_uk_dn_next, self._Q_dk_up_next, self._Q_dk_dn_next,
                self._A_uk_next, self._A_dk_next, self._A_uk_prev, self._A_dk_prev)
-
+
+    @property
+    def c(self):
+        # NOTE: more performant to write in-place
+        result = np.concatenate([self._c_j, self._c_Ik, self._c_ik,
+                                 self._c_uk, self._c_dk])
+        return result
+
+    @c.setter
+    def c(self, value):
+        n1 = self._c_j.size
+        n2 = n1 + self._c_Ik.size
+        n3 = n2 + self._c_ik.size
+        n4 = n3 + self._c_uk.size
+        n5 = n4 + self._c_dk.size
+        self._c_j[:] = np.asarray(value[:n1])
+        self._c_Ik[:] = np.asarray(value[n1:n2])
+        self._c_ik[:] = np.asarray(value[n2:n3])
+        self._c_uk[:] = np.asarray(value[n3:n4])
+        self._c_dk[:] = np.asarray(value[n4:n5])
+
     @property
     def c_j(self):
         return self._c_j