ForceAnnealing_goodresults
ForceAnnealing_tocheck
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Last change
on this file since adbeca was 34af97, checked in by Frederik Heber <heber@…>, 9 years ago |
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FIX: KeySetsContainer::insert(KeySetsContainer&) was not fully working.
- sets were simply appended and according to their index sets.
- this works for normal index sets but not for forceindexsets, which have the
additional (excluded) hydrogens that take not part when counting the bond
order.
- As FragmentationResultsContainer relied on index and forceindex to have the
same fragment order, this was no longer true.
- Added extensive unit test on KeySetsContainer::insert().
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-
Property mode
set to
100644
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File size:
1.1 KB
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| 1 | /*
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| 2 | * KeySetsContainerUnitTest.hpp
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| 3 | *
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| 4 | * Created on: Sep 16, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef KEYSETSCONTAINERUNITTEST_HPP_
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| 9 | #define KEYSETSCONTAINERUNITTEST_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 | class KeySetsContainer;
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| 20 |
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| 21 | /********************************************** Test classes **************************************/
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| 22 |
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| 23 | class KeySetsContainerTest : public CppUnit::TestFixture
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| 24 | {
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| 25 | CPPUNIT_TEST_SUITE( KeySetsContainerTest) ;
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| 26 | CPPUNIT_TEST ( EqualityTest );
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| 27 | CPPUNIT_TEST ( SerializationTest );
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| 28 | CPPUNIT_TEST ( insertIntoEmptyTest );
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| 29 | CPPUNIT_TEST ( insertEmptyIntoTest );
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| 30 | CPPUNIT_TEST ( insertSmallerIntoTest );
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| 31 | CPPUNIT_TEST ( insertLargerIntoTest );
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| 32 | CPPUNIT_TEST_SUITE_END();
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| 33 |
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| 34 | public:
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| 35 | void setUp();
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| 36 | void tearDown();
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| 37 | void EqualityTest();
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| 38 | void SerializationTest();
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| 39 | void insertIntoEmptyTest();
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| 40 | void insertEmptyIntoTest();
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| 41 | void insertSmallerIntoTest();
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| 42 | void insertLargerIntoTest();
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| 43 |
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| 44 | private:
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| 45 | KeySetsContainer *Keys;
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| 46 |
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| 47 | };
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| 48 |
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| 49 | #endif /* KEYSETSCONTAINERUNITTEST_HPP_ */
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