Candidate_v1.6.1
Candidate_v1.7.0
stable
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Last change
on this file since a844d8 was 154e88, checked in by Frederik Heber <heber@…>, 12 years ago |
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Added CompoundPotential as container for multiple FunctionModels.
- added unit test that uses libMolecuilderFragmentation_getFromKeysetStub.la
as HomologyGraphUnitTest. Hence, we are not dependent full libMolecuilder.
- so far, we simply test with a wrapped PairPotential_Morse.
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-
Property mode
set to
100644
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File size:
1.3 KB
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| 1 | /*
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| 2 | * CompoundPotentialUnitTest.hpp
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| 3 | *
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| 4 | * Created on: May 08, 2013
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef COMPOUNDPOTENTIALUNITTEST_HPP_
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| 9 | #define COMPOUNDPOTENTIALUNITTEST_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | #include <cppunit/extensions/HelperMacros.h>
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| 18 |
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| 19 | #include "Fragmentation/Homology/FragmentEdge.hpp"
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| 20 | #include "Fragmentation/Homology/FragmentNode.hpp"
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| 21 | #include "Fragmentation/Homology/HomologyGraph.hpp"
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| 22 |
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| 23 | class CompoundPotential;
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| 24 |
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| 25 | /********************************************** Test classes **************************************/
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| 26 |
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| 27 | class CompoundPotentialTest : public CppUnit::TestFixture
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| 28 | {
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| 29 | CPPUNIT_TEST_SUITE( CompoundPotentialTest) ;
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| 30 | CPPUNIT_TEST ( operatorTest );
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| 31 | // CPPUNIT_TEST ( derivativeTest );
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| 32 | CPPUNIT_TEST ( parameter_derivativeTest );
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| 33 | CPPUNIT_TEST_SUITE_END();
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| 34 |
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| 35 | public:
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| 36 | void setUp();
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| 37 | void tearDown();
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| 38 | void operatorTest();
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| 39 | // void derivativeTest();
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| 40 | void parameter_derivativeTest();
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| 41 |
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| 42 | private:
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| 43 | HomologyGraph *graph;
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| 44 | HomologyGraph::nodes_t nodes;
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| 45 | HomologyGraph::edges_t edges;
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| 46 | HomologyGraph::nodes_t othernodes;
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| 47 | HomologyGraph::edges_t otheredges;
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| 48 |
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| 49 | typedef std::vector<double> data_t;
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| 50 | data_t input;
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| 51 | data_t output;
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| 52 | double a,c,d,D;
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| 53 | };
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| 54 |
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| 55 | #endif /* COMPOUNDPOTENTIALUNITTEST_HPP_ */
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