Index: src/Jobs/unittests/MPQCDataUnitTest.cpp
===================================================================
--- src/Jobs/unittests/MPQCDataUnitTest.cpp	(revision 4bc75d97ed72e9069dfe436ea18f8e2fbc540afd)
+++ 	(revision )
@@ -1,155 +1,0 @@
-/*
- * Project: MoleCuilder
- * Description: creates and alters molecular systems
- * Copyright (C)  2012 University of Bonn. All rights reserved.
- * 
- *
- *   This file is part of MoleCuilder.
- *
- *    MoleCuilder is free software: you can redistribute it and/or modify
- *    it under the terms of the GNU General Public License as published by
- *    the Free Software Foundation, either version 2 of the License, or
- *    (at your option) any later version.
- *
- *    MoleCuilder is distributed in the hope that it will be useful,
- *    but WITHOUT ANY WARRANTY; without even the implied warranty of
- *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
- *    GNU General Public License for more details.
- *
- *    You should have received a copy of the GNU General Public License
- *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
- */
-
-/*
- * MPQCDataUnitTest.cpp
- *
- *  Created on: Feb 09, 2012
- *      Author: heber
- */
-
-// include config.h
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
-#include <cppunit/CompilerOutputter.h>
-#include <cppunit/extensions/TestFactoryRegistry.h>
-#include <cppunit/ui/text/TestRunner.h>
-
-// include headers that implement a archive in simple text format
-#include <boost/archive/text_oarchive.hpp>
-#include <boost/archive/text_iarchive.hpp>
-
-#include <limits>
-#include <vector>
-
-#include "MPQCDataUnitTest.hpp"
-
-#include "Jobs/MPQCData.hpp"
-
-#include "CodePatterns/Assert.hpp"
-
-#ifdef HAVE_TESTRUNNER
-#include "UnitTestMain.hpp"
-#endif /*HAVE_TESTRUNNER*/
-
-/********************************************** Test classes **************************************/
-
-// Registers the fixture into the 'registry'
-CPPUNIT_TEST_SUITE_REGISTRATION( MPQCDataTest );
-
-
-void MPQCDataTest::setUp()
-{
-  // Throw assertions
-  ASSERT_DO(Assert::Throw);
-
-  data = new MPQCData;
-
-  data->energies.total = -37.3479855;
-  std::vector<double> force;
-  std::vector< std::vector<double> > forces;
-  force.push_back(-2.35);
-  force.push_back(-0.54);
-  force.push_back(0.345);
-  data->forces.push_back(force);
-  force.clear();
-  force.push_back(-2.35);
-  force.push_back(-0.54);
-  force.push_back(0.345);
-  data->forces.push_back( force );
-
-  CPPUNIT_ASSERT_EQUAL( (size_t)2, data->forces.size() );
-}
-
-
-void MPQCDataTest::tearDown()
-{
-  delete data;
-}
-
-/** UnitTest for operator==()
- */
-void MPQCDataTest::operatorTest()
-{
-  MPQCData otherData;
-
-  // ascertain unequality
-  CPPUNIT_ASSERT( !(*data == otherData) );
-  CPPUNIT_ASSERT( *data != otherData );
-
-  // construct closer and closer pendant
-  otherData.energies.total = -37.3479855;
-  CPPUNIT_ASSERT( *data != otherData );
-  std::vector<double> force;
-  std::vector< std::vector<double> > forces;
-  force.push_back(-2.35);
-  force.push_back(-0.54);
-  force.push_back(0.345);
-  otherData.forces.push_back(force);
-  CPPUNIT_ASSERT( *data != otherData );
-  force.clear();
-  force.push_back(-2.35);
-  force.push_back(-0.54);
-  force.push_back(0.345);
-  otherData.forces.push_back( force );
-  CPPUNIT_ASSERT( *data == otherData );
-
-  // change energy
-  otherData.energies.total = -4;
-  CPPUNIT_ASSERT( *data != otherData );
-  otherData.energies.total = -37.3479855;
-  CPPUNIT_ASSERT( *data == otherData );
-
-  // change force component
-  otherData.forces[0][2] = -4;
-  CPPUNIT_ASSERT( *data != otherData );
-  otherData.forces[0][2] = 0.345;
-  CPPUNIT_ASSERT( *data == otherData );
-
-  // check sensibility
-  otherData.energies.total -= 1e-1*std::numeric_limits<double>::epsilon();
-  CPPUNIT_ASSERT( *data == otherData );
-  otherData.forces[1][0] -= 1e-1*std::numeric_limits<double>::epsilon();
-  CPPUNIT_ASSERT( *data == otherData );
-}
-
-/** UnitTest for serialization
- */
-void MPQCDataTest::serializationTest()
-{
-  // serialize
-  std::stringstream outputstream;
-  boost::archive::text_oarchive oa(outputstream);
-  oa << data;
-
-  // deserialize
-  MPQCData *extractedData;
-  std::stringstream returnstream(outputstream.str());
-  boost::archive::text_iarchive ia(returnstream);
-  ia >> extractedData;
-
-  CPPUNIT_ASSERT( *data == *extractedData );
-
-  delete extractedData;
-}
Index: src/Jobs/unittests/MPQCDataUnitTest.hpp
===================================================================
--- src/Jobs/unittests/MPQCDataUnitTest.hpp	(revision 4bc75d97ed72e9069dfe436ea18f8e2fbc540afd)
+++ 	(revision )
@@ -1,42 +1,0 @@
-/*
- * MPQCDataUnitTest.hpp
- *
- *  Created on: Feb 9, 2012
- *      Author: heber
- */
-
-#ifndef MPQCDATAUNITTEST_HPP_
-#define MPQCDATAUNITTEST_HPP_
-
-// include config.h
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
-
-#include <string>
-
-#include <cppunit/extensions/HelperMacros.h>
-
-class MPQCData;
-
-
-/********************************************** Test classes **************************************/
-
-class MPQCDataTest : public CppUnit::TestFixture
-{
-    CPPUNIT_TEST_SUITE( MPQCDataTest) ;
-    CPPUNIT_TEST ( operatorTest );
-    CPPUNIT_TEST ( serializationTest );
-    CPPUNIT_TEST_SUITE_END();
-
-public:
-      void setUp();
-      void tearDown();
-      void operatorTest();
-      void serializationTest();
-
-private:
-      MPQCData *data;
-};
-
-#endif /* MPQCDATAUNITTEST_HPP_ */
Index: src/Jobs/unittests/Makefile.am
===================================================================
--- src/Jobs/unittests/Makefile.am	(revision 4bc75d97ed72e9069dfe436ea18f8e2fbc540afd)
+++ src/Jobs/unittests/Makefile.am	(revision 8e84fee2b39a56651444a15cdef1d2ed8bad8999)
@@ -3,14 +3,11 @@
 
 JOBSTESTSSOURCES = \
-  ../Jobs/unittests/MPQCCommandJobUnitTest.cpp \
-  ../Jobs/unittests/MPQCDataUnitTest.cpp
+  ../Jobs/unittests/MPQCCommandJobUnitTest.cpp
   
 JOBSTESTSHEADERS = \
-  ../Jobs/unittests/MPQCCommandJobUnitTest.hpp \
-  ../Jobs/unittests/MPQCDataUnitTest.hpp
+  ../Jobs/unittests/MPQCCommandJobUnitTest.hpp
 
 JOBSTESTS = \
-  MPQCCommandJobUnitTest \
-  MPQCDataUnitTest
+  MPQCCommandJobUnitTest
 
 
@@ -20,9 +17,11 @@
 
 JOBSLIBS = \
-  ../libMolecuilderJobs.la \
-  $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
-  $(BOOST_THREAD_LDFLAGS) $(BOOST_THREAD_LIBS) \
-  $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
-  ${CodePatterns_LIBS}
+	../libMolecuilderJobs.la \
+	../libMolecuilderFragmentationContainers.la \
+	$(JobMarket_LIBS) \
+	$(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
+	$(BOOST_THREAD_LDFLAGS) $(BOOST_THREAD_LIBS) \
+	$(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
+	${CodePatterns_LIBS}
 
 MPQCCommandJobUnitTest_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl
@@ -31,21 +30,5 @@
   ../Jobs/unittests/MPQCCommandJobUnitTest.cpp \
   ../Jobs/unittests/MPQCCommandJobUnitTest.hpp
-MPQCCommandJobUnitTest_LDADD = \
-  ../libMolecuilderJobs.la \
-	$(JobMarket_LIBS) \
-  $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
-  $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
-  ${CodePatterns_LIBS}
-
-MPQCDataUnitTest_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl
-MPQCDataUnitTest_CPPFLAGS = ${BOOST_CPPFLAGS} $(CPPUNIT_CFLAGS) ${CodePatterns_CFLAGS}
-MPQCDataUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-  ../Jobs/unittests/MPQCDataUnitTest.cpp \
-  ../Jobs/unittests/MPQCDataUnitTest.hpp
-MPQCDataUnitTest_LDADD = \
-  ../libMolecuilderJobs.la \
-  $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
-  $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
-  ${CodePatterns_LIBS}
+MPQCCommandJobUnitTest_LDADD = ${JOBSLIBS}
 
 #AUTOMAKE_OPTIONS = parallel-test
