Merge pull request #697 from KulaginVladimir/DerQuant_list-and-Traps_…

…list

`F.Traps` and `F.DerivedQuantities` -> subclasses of list

festim/concentration/mobile.py

@@ -109,7 +109,7 @@ def create_diffusion_form(
         # add the trapping terms
         F_trapping = 0
         if traps is not None:
-            for trap in traps.traps:
+            for trap in traps:
                 for i, mat in enumerate(trap.materials):
                     if type(trap.k_0) is list:
                         k_0 = trap.k_0[i]

festim/concentration/traps/traps.py

@@ -1,52 +1,89 @@
 import festim
 import fenics as f
+import warnings
 
 
-class Traps:
-    def __init__(self, traps=[]) -> None:
-        self.traps = traps
+class Traps(list):
+    """
+    A list of festim.Trap objects
+    """
+
+    def __init__(self, *args):
+        # checks that input is list
+        if not isinstance(*args, list):
+            raise TypeError("festim.Traps must be a list")
+        super().__init__(self._validate_trap(item) for item in args[0])
+
         self.F = None
         self.extrinsic_formulations = []
         self.sub_expressions = []
 
         # add ids if unspecified
-        for i, trap in enumerate(self.traps, 1):
+        for i, trap in enumerate(self, 1):
             if trap.id is None:
                 trap.id = i
 
     @property
     def traps(self):
-        return self._traps
+        warnings.warn(
+            "The traps attribute will be deprecated in a future release, please use festim.Traps as a list instead",
+            DeprecationWarning,
+        )
+        return self
 
     @traps.setter
     def traps(self, value):
+        warnings.warn(
+            "The traps attribute will be deprecated in a future release, please use festim.Traps as a list instead",
+            DeprecationWarning,
+        )
         if isinstance(value, list):
             if not all(isinstance(t, festim.Trap) for t in value):
                 raise TypeError("traps must be a list of festim.Trap")
-            self._traps = value
+            super().__init__(value)
         else:
             raise TypeError("traps must be a list")
 
+    def __setitem__(self, index, item):
+        super().__setitem__(index, self._validate_trap(item))
+
+    def insert(self, index, item):
+        super().insert(index, self._validate_trap(item))
+
+    def append(self, item):
+        super().append(self._validate_trap(item))
+
+    def extend(self, other):
+        if isinstance(other, type(self)):
+            super().extend(other)
+        else:
+            super().extend(self._validate_trap(item) for item in other)
+
+    def _validate_trap(self, value):
+        if isinstance(value, festim.Trap):
+            return value
+        raise TypeError("festim.Traps must be a list of festim.Trap")
+
     def make_traps_materials(self, materials):
-        for trap in self.traps:
+        for trap in self:
             trap.make_materials(materials)
 
     def create_forms(self, mobile, materials, T, dx, dt=None):
         self.F = 0
-        for trap in self.traps:
+        for trap in self:
             trap.create_form(mobile, materials, T, dx, dt=dt)
             self.F += trap.F
             self.sub_expressions += trap.sub_expressions
 
     def get_trap(self, id):
-        for trap in self.traps:
+        for trap in self:
             if trap.id == id:
                 return trap
         raise ValueError("Couldn't find trap {}".format(id))
 
     def initialise_extrinsic_traps(self, V):
         """Add functions to ExtrinsicTrapBase objects for density form"""
-        for trap in self.traps:
+        for trap in self:
             if isinstance(trap, festim.ExtrinsicTrapBase):
                 trap.density = [f.Function(V)]
                 trap.density_test_function = f.TestFunction(V)
@@ -63,14 +100,14 @@ def define_variational_problem_extrinsic_traps(self, dx, dt, T):
         """
         self.extrinsic_formulations = []
         expressions_extrinsic = []
-        for trap in self.traps:
+        for trap in self:
             if isinstance(trap, festim.ExtrinsicTrapBase):
                 trap.create_form_density(dx, dt, T)
                 self.extrinsic_formulations.append(trap.form_density)
         self.sub_expressions.extend(expressions_extrinsic)
 
     def solve_extrinsic_traps(self):
-        for trap in self.traps:
+        for trap in self:
             if isinstance(trap, festim.ExtrinsicTrapBase):
                 du_t = f.TrialFunction(trap.density[0].function_space())
                 J_t = f.derivative(trap.form_density, trap.density[0], du_t)
@@ -91,6 +128,6 @@ def solve_extrinsic_traps(self):
                 solver.solve()
 
     def update_extrinsic_traps_density(self):
-        for trap in self.traps:
+        for trap in self:
             if isinstance(trap, festim.ExtrinsicTrapBase):
                 trap.density_previous_solution.assign(trap.density[0])

festim/exports/derived_quantities/derived_quantities.py

@@ -7,13 +7,14 @@
 import os
 import numpy as np
 from typing import Union
+import warnings
 
 
-class DerivedQuantities:
+class DerivedQuantities(list):
     """
+    A list of festim.DerivedQuantity objects
+
     Args:
-        derived_quantities (list, optional): list of F.DerivedQuantity
-            object. Defaults to None.
         filename (str, optional): the filename (must end with .csv).
             If None, the data will not be exported. Defaults to None.
         nb_iterations_between_compute (int, optional): number of
@@ -26,22 +27,68 @@ class DerivedQuantities:
 
     def __init__(
         self,
-        derived_quantities: list = None,
+        *args,
         filename: str = None,
         nb_iterations_between_compute: int = 1,
         nb_iterations_between_exports: int = None,
     ) -> None:
+        # checks that input is list
+        if not isinstance(*args, list):
+            raise TypeError("festim.DerivedQuantities must be a list")
+        super().__init__(self._validate_derived_quantity(item) for item in args[0])
+
         self.filename = filename
         self.nb_iterations_between_compute = nb_iterations_between_compute
         self.nb_iterations_between_exports = nb_iterations_between_exports
 
-        self.derived_quantities = derived_quantities
-        if derived_quantities is None:
-            self.derived_quantities = []
-
         self.data = [self.make_header()]
         self.t = []
 
+    @property
+    def derived_quantities(self):
+        warnings.warn(
+            "The derived_quantities attribute will be deprecated in a future release, please use festim.DerivedQuantities as a list instead",
+            DeprecationWarning,
+        )
+        return self
+
+    @derived_quantities.setter
+    def derived_quantities(self, value):
+        warnings.warn(
+            "The derived_quantities attribute will be deprecated in a future release, please use festim.DerivedQuantities as a list instead",
+            DeprecationWarning,
+        )
+        if isinstance(value, list):
+            if not all(isinstance(t, DerivedQuantity) for t in value):
+                raise TypeError(
+                    "derived_quantities must be a list of festim.DerivedQuantity"
+                )
+            super().__init__(value)
+        else:
+            raise TypeError("derived_quantities must be a list")
+
+    def __setitem__(self, index, item):
+        super().__setitem__(index, self._validate_derived_quantity(item))
+
+    def insert(self, index, item):
+        super().insert(index, self._validate_derived_quantity(item))
+
+    def append(self, item):
+        super().append(self._validate_derived_quantity(item))
+
+    def extend(self, other):
+        if isinstance(other, type(self)):
+            super().extend(other)
+        else:
+            super().extend(self._validate_derived_quantity(item) for item in other)
+
+    def _validate_derived_quantity(self, value):
+        if isinstance(value, DerivedQuantity):
+            return value
+        raise TypeError(
+            "festim.DerivedQuantities must be a list of festim.DerivedQuantity"
+        )
+
     @property
     def filename(self):
         return self._filename
@@ -57,13 +104,13 @@ def filename(self, value):
 
     def make_header(self):
         header = ["t(s)"]
-        for quantity in self.derived_quantities:
+        for quantity in self:
             header.append(quantity.title)
         return header
 
     def assign_measures_to_quantities(self, dx, ds):
         self.volume_markers = dx.subdomain_data()
-        for quantity in self.derived_quantities:
+        for quantity in self:
             quantity.dx = dx
             quantity.ds = ds
             quantity.n = f.FacetNormal(dx.subdomain_data().mesh())
@@ -75,7 +122,7 @@ def assign_properties_to_quantities(self, materials):
         Args:
             materials (festim.Materials): the materials
         """
-        for quantity in self.derived_quantities:
+        for quantity in self:
             quantity.D = materials.D
             quantity.S = materials.S
             quantity.thermal_cond = materials.thermal_cond
@@ -84,7 +131,7 @@ def assign_properties_to_quantities(self, materials):
     def compute(self, t):
         # TODO need to support for soret flag in surface flux
         row = [t]
-        for quantity in self.derived_quantities:
+        for quantity in self:
             if isinstance(quantity, (MaximumVolume, MinimumVolume)):
                 value = quantity.compute(self.volume_markers)
             else:
@@ -180,7 +227,7 @@ def filter(
         quantities = []
 
         # iterate through derived_quantities
-        for quantity in self.derived_quantities:
+        for quantity in self:
             # initialise flags to False
             match_surface, match_volume, match_field, match_instance = (
                 False,

festim/exports/exports.py

@@ -1,5 +1,6 @@
 import festim
 import fenics as f
+import warnings
 
 
 class Exports(list):
@@ -8,12 +9,65 @@ class Exports(list):
     """
 
     def __init__(self, *args):
-        super().__init__(*args)
+        # checks that input is list
+        if not isinstance(*args, list):
+            raise TypeError("festim.Exports must be a list")
+        super().__init__(self._validate_export(item) for item in args[0])
+
         self.t = None
         self.V_DG1 = None
         self.final_time = None
         self.nb_iterations = 0
 
+    @property
+    def exports(self):
+        warnings.warn(
+            "The exports attribute will be deprecated in a future release, please use festim.Exports as a list instead",
+            DeprecationWarning,
+        )
+        return self
+
+    @exports.setter
+    def exports(self, value):
+        warnings.warn(
+            "The exports attribute will be deprecated in a future release, please use festim.Exports as a list instead",
+            DeprecationWarning,
+        )
+        if isinstance(value, list):
+            if not all(
+                (
+                    isinstance(t, festim.Export)
+                    or isinstance(t, festim.DerivedQuantities)
+                )
+                for t in value
+            ):
+                raise TypeError("exports must be a list of festim.Export")
+            super().__init__(value)
+        else:
+            raise TypeError("exports must be a list")
+
+    def __setitem__(self, index, item):
+        super().__setitem__(index, self._validate_export(item))
+
+    def insert(self, index, item):
+        super().insert(index, self._validate_export(item))
+
+    def append(self, item):
+        super().append(self._validate_export(item))
+
+    def extend(self, other):
+        if isinstance(other, type(self)):
+            super().extend(other)
+        else:
+            super().extend(self._validate_export(item) for item in other)
+
+    def _validate_export(self, value):
+        if isinstance(value, festim.Export) or isinstance(
+            value, festim.DerivedQuantities
+        ):
+            return value
+        raise TypeError("festim.Exports must be a list of festim.Export")
+
     def write(self, label_to_function, dx):
         """writes to file
 
@@ -26,7 +80,7 @@ def write(self, label_to_function, dx):
                 # compute derived quantities
                 if export.is_compute(self.nb_iterations):
                     # check if function has to be projected
-                    for quantity in export.derived_quantities:
+                    for quantity in export:
                         if isinstance(
                             quantity, (festim.MaximumVolume, festim.MinimumVolume)
                         ):