From acdf287c013dcf70799695307e95e3eb8703687b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 19 Feb 2017 21:19:30 -0600
Subject: [PATCH] Allow volume information to be added to materials and
 universes

---
 openmc/geometry.py                         |  8 +++++++
 openmc/material.py                         | 28 ++++++++++++++++++++++
 openmc/universe.py                         | 28 ++++++++++++++++++++++
 tests/test_volume_calc/test_volume_calc.py |  3 +--
 4 files changed, 65 insertions(+), 2 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index a272eec0a..023a7abd5 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -63,6 +63,14 @@ class Geometry(object):
             for cell in self.get_all_cells():
                 if cell.id in volume_calc.results:
                     cell.add_volume_information(volume_calc)
+        elif volume_calc.domain_type == 'material':
+            for material in self.get_all_materials():
+                if material.id in volume_calc.results:
+                    material.add_volume_information(volume_calc)
+        elif volume_calc.domain_type == 'universe':
+            for universe in self.get_all_universes():
+                if universe.id in volume_calc.results:
+                    universe.add_volume_information(volume_calc)
 
     def export_to_xml(self, path='geometry.xml'):
         """Export geometry to an XML file.
diff --git a/openmc/material.py b/openmc/material.py
index b9705243e..179d43579 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -71,6 +71,10 @@ class Material(object):
         The average molar mass of nuclides in the material in units of grams per
         mol.  For example, UO2 with 3 nuclides will have an average molar mass
         of 270 / 3 = 90 g / mol.
+    volume_information : dict
+        Estimate of the volume and total number of atoms of each nuclide from a
+        stochastic volume calculation. This information is set with the
+        :meth:`Material.add_volume_information` method.
 
     """
 
@@ -82,6 +86,7 @@ class Material(object):
         self._density = None
         self._density_units = ''
         self._depletable = False
+        self._volume_information = None
 
         # A list of tuples (nuclide, percent, percent type)
         self._nuclides = []
@@ -226,6 +231,10 @@ class Material(object):
         # Compute and return the molar mass
         return mass / moles
 
+    @property
+    def volume_information(self):
+        return self._volume_information
+
     @id.setter
     def id(self, material_id):
 
@@ -302,6 +311,25 @@ class Material(object):
 
         return material
 
+    def add_volume_information(self, volume_calc):
+        """Add volume information to a material.
+
+        Parameters
+        ----------
+        volume_calc : openmc.VolumeCalculation
+            Results from a stochastic volume calculation
+
+        """
+        if volume_calc.domain_type == 'material':
+            for mat_id in volume_calc.results:
+                if mat_id == self.id:
+                    self._volume_information = volume_calc.results[mat_id]
+                    break
+            else:
+                raise ValueError('No volume information found for this material.')
+        else:
+            raise ValueError('No volume information found for this material.')
+
     def set_density(self, units, density=None):
         """Set the density of the material
 
diff --git a/openmc/universe.py b/openmc/universe.py
index fa850968d..65d09f707 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -42,6 +42,10 @@ class Universe(object):
     cells : collections.OrderedDict
         Dictionary whose keys are cell IDs and values are :class:`Cell`
         instances
+    volume_information : dict
+        Estimate of the volume and total number of atoms of each nuclide from a
+        stochastic volume calculation. This information is set with the
+        :meth:`Universe.add_volume_information` method.
 
     """
 
@@ -49,6 +53,7 @@ class Universe(object):
         # Initialize Cell class attributes
         self.id = universe_id
         self.name = name
+        self._volume_information = None
 
         # Keys     - Cell IDs
         # Values - Cells
@@ -99,6 +104,10 @@ class Universe(object):
     def cells(self):
         return self._cells
 
+    @property
+    def volume_information(self):
+        return self._volume_information
+
     @id.setter
     def id(self, universe_id):
         if universe_id is None:
@@ -147,6 +156,25 @@ class Universe(object):
 
         return universe
 
+    def add_volume_information(self, volume_calc):
+        """Add volume information to a universe.
+
+        Parameters
+        ----------
+        volume_calc : openmc.VolumeCalculation
+            Results from a stochastic volume calculation
+
+        """
+        if volume_calc.domain_type == 'cell':
+            for univ_id in volume_calc.results:
+                if univ_id == self.id:
+                    self._volume_information = volume_calc.results[univ_id]
+                    break
+            else:
+                raise ValueError('No volume information found for this universe.')
+        else:
+            raise ValueError('No volume information found for this universe.')
+
     def find(self, point):
         """Find cells/universes/lattices which contain a given point
 
diff --git a/tests/test_volume_calc/test_volume_calc.py b/tests/test_volume_calc/test_volume_calc.py
index cb4ecc2d7..4461e231d 100644
--- a/tests/test_volume_calc/test_volume_calc.py
+++ b/tests/test_volume_calc/test_volume_calc.py
@@ -38,8 +38,7 @@ class VolumeTest(PyAPITestHarness):
         bottom_hemisphere = openmc.Cell(3, fill=water, region=-bottom_sphere & -top_plane)
         root = openmc.Universe(0, cells=(inside_cyl, top_hemisphere, bottom_hemisphere))
 
-        geometry = openmc.Geometry()
-        geometry.root_universe = root
+        geometry = openmc.Geometry(root)
         geometry.export_to_xml()
 
         # Set up stochastic volume calculation