Add density to ComponentSystem

CADETProcess/processModel/componentSystem.py

@@ -24,11 +24,14 @@ class Species(Structure):
         The charge of the species. Default is 0.
     molecular_weight : float
         The molecular weight of the species.
+    density : float
+        Density of the species.
 
     """
     name = String()
     charge = Integer(default=0)
     molecular_weight = UnsignedFloat()
+    density = UnsignedFloat()
 
 
 class Component(Structure):
@@ -50,6 +53,8 @@ class Component(Structure):
         Charge of component (including species).
     molecular_weight : list
         Molecular weight of component (including species).
+    density : list
+        Density of component (including species).
 
     See Also
     --------
@@ -60,7 +65,13 @@ class Component(Structure):
     name = String()
 
     def __init__(
-            self, name=None, species=None, charge=None, molecular_weight=None):
+            self,
+            name=None,
+            species=None,
+            charge=None,
+            molecular_weight=None,
+            density=None
+            ):
         """
         Parameters
         ----------
@@ -72,14 +83,16 @@ def __init__(
             Charges of the subspecies.
         molecular_weight : float or list of float or None, optional
             Molecular weights of the subspecies.
+        density : list
+            Density of component (including species).
         """
         self.name = name
         self._species = []
 
         if species is None:
-            self.add_species(name, charge, molecular_weight)
+            self.add_species(name, charge, molecular_weight, density)
         elif isinstance(species, str):
-            self.add_species(species, charge, molecular_weight)
+            self.add_species(species, charge, molecular_weight, density)
         elif isinstance(species, list):
             if charge is None:
                 charge = len(species) * [None]
@@ -136,6 +149,11 @@ def molecular_weight(self):
         """list of float or None: The molecular weights of the subspecies."""
         return [spec.molecular_weight for spec in self.molecular_weight]
 
+    @property
+    def density(self):
+        """list of float or None: The density of the subspecies."""
+        return [spec.density for spec in self.density]
+
     def __str__(self):
         """String representation of the component."""
         return self.name
@@ -379,6 +397,15 @@ def molecular_weights(self):
 
         return molecular_weights
 
+    @property
+    def densities(self):
+        """list: List of species densities."""
+        densities = []
+        for comp in self.components:
+            densities += comp.density
+
+        return densities
+
     def __repr__(self):
         return f'{self.__class__.__name__}({self.names})'