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Last change
on this file since aa8542 was aa8542, checked in by Frederik Heber <heber@…>, 16 years ago |
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BUGFIX: BondGraphUnitTest was not working.
Changes:
- atoms are now carbon, not hydrogen
- added covalent and van-der-Waals radii to element creation
- FIX: carbon now has Z = 2.
- added test case for NULL BondTable (i.e. from covalent radii)
Signed-off-by: Frederik Heber <heber@…>
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Property mode
set to
100644
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File size:
1.0 KB
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| 1 | /*
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| 2 | * bondgraphunittest.hpp
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| 3 | *
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| 4 | * Created on: Oct 29, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef BONDGRAPHUNITTEST_HPP_
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| 9 | #define BONDGRAPHUNITTEST_HPP_
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| 10 |
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| 11 | #include <cppunit/extensions/HelperMacros.h>
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| 12 |
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| 13 | #include "bondgraph.hpp"
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| 14 |
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| 15 | class element;
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| 16 | class molecule;
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| 17 | class periodentafel;
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| 18 |
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| 19 | /********************************************** Test classes **************************************/
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| 20 |
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| 21 | class BondGraphTest : public CppUnit::TestFixture
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| 22 | {
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| 23 | CPPUNIT_TEST_SUITE( BondGraphTest) ;
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| 24 | CPPUNIT_TEST ( LoadTableTest );
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| 25 | CPPUNIT_TEST ( ConstructGraphFromTableTest );
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| 26 | CPPUNIT_TEST ( ConstructGraphFromCovalentRadiiTest );
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| 27 | CPPUNIT_TEST_SUITE_END();
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| 28 |
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| 29 | public:
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| 30 | void setUp();
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| 31 | void tearDown();
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| 32 | void LoadTableTest();
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| 33 | void ConstructGraphFromTableTest();
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| 34 | void ConstructGraphFromCovalentRadiiTest();
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| 35 |
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| 36 | private:
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| 37 |
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| 38 | molecule *TestMolecule;
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| 39 | element *hydrogen;
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| 40 | element *carbon;
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| 41 | periodentafel *tafel;
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| 42 |
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| 43 | BondGraph *BG;
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| 44 | string *filename;
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| 45 | string *dummyname;
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| 46 | };
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| 47 |
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| 48 | #endif /* BONDGRAPHUNITTEST_HPP_ */
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