From 368184371ecedaf7882569c25b6f09643a419999 Mon Sep 17 00:00:00 2001
From: Will Boyd <wbinventor@gmail.com>
Date: Mon, 13 Oct 2014 09:19:55 -0400
Subject: [PATCH] Implemented reflective example input file using Python API

---
 examples/python/reflective/build-xml.py  | 92 ++++++++++++++++++++++++
 examples/python/reflective/geometry.xml  | 32 ++++-----
 examples/python/reflective/materials.xml | 12 ++--
 examples/python/reflective/settings.xml  | 15 ++--
 examples/xml/basic/materials.xml         |  2 +-
 5 files changed, 118 insertions(+), 35 deletions(-)
 create mode 100644 examples/python/reflective/build-xml.py

diff --git a/examples/python/reflective/build-xml.py b/examples/python/reflective/build-xml.py
new file mode 100644
index 0000000000..ef54e8b2e8
--- /dev/null
+++ b/examples/python/reflective/build-xml.py
@@ -0,0 +1,92 @@
+import openmc
+
+
+###############################################################################
+#                      Simulation Input File Parameters
+###############################################################################
+
+# OpenMC simulation parameters
+batches = 500
+inactive = 10
+particles = 10000
+
+
+###############################################################################
+#                 Exporting to OpenMC materials.xml File
+###############################################################################
+
+# Instantiate a Nuclides
+u235 = openmc.Nuclide('U-235')
+
+# Instantiate a Material and register the Nuclide
+fuel = openmc.Material(material_id=1, name='fuel')
+fuel.setDensity('g/cc', 4.5)
+fuel.addNuclide(u235, 1.)
+
+# Instantiate a MaterialsFile, register Material, and export to XML
+materials_file = openmc.MaterialsFile()
+materials_file.setDefaultXS('71c')
+materials_file.addMaterial(fuel)
+materials_file.exportToXML()
+
+
+###############################################################################
+#                 Exporting to OpenMC geometry.xml File
+###############################################################################
+
+# Instantiate Surfaces
+surf1 = openmc.XPlane(surface_id=1, x0=-1, name='surf 1')
+surf2 = openmc.XPlane(surface_id=2, x0=+1, name='surf 2')
+surf3 = openmc.YPlane(surface_id=3, y0=-1, name='surf 3')
+surf4 = openmc.YPlane(surface_id=4, y0=+1, name='surf 4')
+surf5 = openmc.ZPlane(surface_id=5, z0=-1, name='surf 5')
+surf6 = openmc.ZPlane(surface_id=6, z0=+1, name='surf 6')
+
+surf1.setBoundaryType('vacuum')
+surf2.setBoundaryType('vacuum')
+surf3.setBoundaryType('reflective')
+surf4.setBoundaryType('reflective')
+surf5.setBoundaryType('reflective')
+surf6.setBoundaryType('reflective')
+
+# Instantiate Cell
+cell = openmc.Cell(cell_id=1, name='cell 1')
+
+# Register Surfaces with Cell
+cell.addSurface(surface=surf1, halfspace=+1)
+cell.addSurface(surface=surf2, halfspace=-1)
+cell.addSurface(surface=surf3, halfspace=+1)
+cell.addSurface(surface=surf4, halfspace=-1)
+cell.addSurface(surface=surf5, halfspace=+1)
+cell.addSurface(surface=surf6, halfspace=-1)
+
+# Register Material with Cell
+cell.setFill(fuel)
+
+# Instantiate Universes
+root = openmc.Universe(universe_id=0, name='root universe')
+
+# Register Cell with Universe
+root.addCell(cell)
+
+# Instantiate a Geometry and register the root Universe
+geometry = openmc.Geometry()
+geometry.setRootUniverse(root)
+
+# Instantiate a GeometryFile, register Geometry, and export to XML
+geometry_file = openmc.GeometryFile()
+geometry_file.setGeometry(geometry)
+geometry_file.exportToXML()
+
+
+###############################################################################
+#                   Exporting to OpenMC settings.xml File
+###############################################################################
+
+# Instantiate a SettingsFile, set all runtime parameters, and export to XML
+settings_file = openmc.SettingsFile()
+settings_file.setBatches(batches)
+settings_file.setInactive(inactive)
+settings_file.setParticles(particles)
+settings_file.setSourceSpace('box', [-1, -1, -1, 1, 1, 1])
+settings_file.exportToXML()
diff --git a/examples/python/reflective/geometry.xml b/examples/python/reflective/geometry.xml
index 664ef0705f..85ee37f77f 100644
--- a/examples/python/reflective/geometry.xml
+++ b/examples/python/reflective/geometry.xml
@@ -1,19 +1,17 @@
-<?xml version="1.0"?>
+<?xml version='1.0' encoding='utf-8'?>
 <geometry>
-
-  <!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <material>1</material>
-    <surfaces>1 -2 3 -4 5 -6</surfaces>
-  </cell>
-
-  <!-- Defition of Surfaces -->
-  <surface id="1" type="x-plane" coeffs="-1" boundary="vacuum" />
-  <surface id="2" type="x-plane" coeffs="1" boundary="vacuum" />
-  <surface id="3" type="y-plane" coeffs="-1" boundary="reflective" /> 
-  <surface id="4" type="y-plane" coeffs="1" boundary="reflective" />
-  <surface id="5" type="z-plane" coeffs="-1" boundary="reflective" /> 
-  <surface id="6" type="z-plane" coeffs="1" boundary="reflective" />
-    
+  <!--cell 1-->
+<cell id="1" material="1" surfaces="1 -2 3 -4 5 -6" universe="0" />
+<!--surf 1-->
+<surface boundary="vacuum" coeffs="-1" id="1" type="x-plane" />
+<!--surf 2-->
+<surface boundary="vacuum" coeffs="1" id="2" type="x-plane" />
+<!--surf 3-->
+<surface boundary="reflective" coeffs="-1" id="3" type="y-plane" />
+<!--surf 4-->
+<surface boundary="reflective" coeffs="1" id="4" type="y-plane" />
+<!--surf 5-->
+<surface boundary="reflective" coeffs="-1" id="5" type="z-plane" />
+<!--surf 6-->
+<surface boundary="reflective" coeffs="1" id="6" type="z-plane" />
 </geometry>
diff --git a/examples/python/reflective/materials.xml b/examples/python/reflective/materials.xml
index 6da53a9b60..1c6a7fa54e 100644
--- a/examples/python/reflective/materials.xml
+++ b/examples/python/reflective/materials.xml
@@ -1,11 +1,9 @@
-<?xml version="1.0"?>
+<?xml version='1.0' encoding='utf-8'?>
 <materials>
-
   <default_xs>71c</default_xs>
-
-  <material id="1">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U-235" ao="1.0" />
+<!--fuel-->
+<material id="1">
+    <density units="g/cc" value="4.5" />
+  <nuclide ao="1.0" name="U-235" />
   </material>
-
 </materials>
diff --git a/examples/python/reflective/settings.xml b/examples/python/reflective/settings.xml
index 9f8cf8e959..db21c90668 100644
--- a/examples/python/reflective/settings.xml
+++ b/examples/python/reflective/settings.xml
@@ -1,18 +1,13 @@
-<?xml version="1.0"?>
+<?xml version='1.0' encoding='utf-8'?>
 <settings>
-
-  <!-- Parameters for k-eigenvalue calculation -->
   <eigenvalue>
-    <batches>500</batches>
-    <inactive>10</inactive>
     <particles>10000</particles>
+  <batches>500</batches>
+  <inactive>10</inactive>
   </eigenvalue>
-
-  <!-- Starting source -->
-  <source>
+<source>
     <space type="box">
-      <parameters>-1 -1 -1  1  1  1</parameters>
+      <parameters>-1 -1 -1 1 1 1</parameters>
     </space>
   </source>
-
 </settings>
diff --git a/examples/xml/basic/materials.xml b/examples/xml/basic/materials.xml
index d858d8ae71..75ab74dbba 100644
--- a/examples/xml/basic/materials.xml
+++ b/examples/xml/basic/materials.xml
@@ -10,8 +10,8 @@
 
   <material id="41">
     <density value="1.0" units="g/cc" />
-    <nuclide name="O-16" ao="1.0" />
     <nuclide name="H-1" ao="2.0" />
+    <nuclide name="O-16" ao="1.0" />
     <sab name="HH2O" xs="71t" />
   </material>