Changeset 706d48 for src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp

Timestamp:

May 18, 2016, 10:03:09 PM (10 years ago)

Author:

Frederik Heber <heber@…>

Children:

c9b843

Parents:

00ea61

git-author:

Frederik Heber <heber@…> (03/10/16 14:40:45)

git-committer:

Frederik Heber <heber@…> (05/18/16 22:03:09)

Message:

Added getRoughBoundingBox to SaturatedFragment.

File:

• src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (modified) (5 diffs)

src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp

@@ -50 +50 @@
 #include "CodePatterns/Assert.hpp"
 
+#include "Atom/atom.hpp"
+#include "Atom/AtomObserver.hpp"
+#include "Element/element.hpp"
+#include "Element/periodentafel.hpp"
 #include "Fragmentation/HydrogenSaturation_enum.hpp"
+#include "molecule.hpp"
+#include "World.hpp"
+#include "WorldTime.hpp"
 
 #ifdef HAVE_TESTRUNNER
@@ -69 +76 @@
   ASSERT_DO(Assert::Throw);
 
+  // construct element
+  hydrogen = World::getInstance().getPeriode()->FindElement(1);
+  CPPUNIT_ASSERT(hydrogen != NULL && "could not find element hydrogen");
+  oxygen = World::getInstance().getPeriode()->FindElement(8);
+  CPPUNIT_ASSERT(oxygen != NULL && "could not find element oxygen");
+
+  // construct molecule (tetraeder of hydrogens)
+  TestMolecule = World::getInstance().createMolecule();
+  CPPUNIT_ASSERT(TestMolecule != NULL && "could not create molecule");
+  atom * Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
+  Walker->setType(oxygen);
+  Walker->setPosition(Vector(1., 0., 1. ));
+  TestMolecule->AddAtom(Walker);
+  Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
+  Walker->setType(hydrogen);
+  Walker->setPosition(Vector(0., 1., 1. ));
+  TestMolecule->AddAtom(Walker);
+  Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
+  Walker->setType(hydrogen);
+  Walker->setPosition(Vector(1., 1., 0. ));
+
+  // construct fragment keyset
   SaturatedFragment::GlobalSaturationPositions_t globalpositions;
   set = new KeySet;
+  set->insert(0);
+  set->insert(1);
+  set->insert(2);
   fragment = new SaturatedFragment(
       *set,
@@ -78 +113 @@
       DoSaturate,
       globalpositions);
+
 }
 
@@ -85 +121 @@
   delete fragment;
   delete set;
+
+  // remove
+  World::getInstance().destroyMolecule(TestMolecule);
+  // note that all the atoms, molecules, the tafel and the elements
+  // are all cleaned when the world is destroyed
+  World::purgeInstance();
+  AtomObserver::purgeInstance();
+  logger::purgeInstance();
+  errorLogger::purgeInstance();
+  WorldTime::purgeInstance();
 }
 
@@ -93 +139 @@
   CPPUNIT_ASSERT_EQUAL( *set, fragment->getKeySet() );
 }
+
+/** UnitTest for getRoughBoundingBox()
+ */
+void SaturatedFragmentTest::getRoughBoundingBox()
+{
+  const std::pair<Vector, Vector> minmax = fragment->getRoughBoundingBox();
+  for (size_t i=0;i<NDIM;++i) {
+    CPPUNIT_ASSERT( minmax.first[i] >= 0. );
+    CPPUNIT_ASSERT( minmax.second[i] <= 1. );
+  }
+}