AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since 7b4e67 was 7b4e67, checked in by Frederik Heber <frederik.heber@…>, 7 years ago |
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Added failing weights test case to BondVectors.
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-
Property mode
set to
100644
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File size:
1.5 KB
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| 1 | /*
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| 2 | * BondVectorsUnitTest.hpp
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| 3 | *
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| 4 | * Created on: Jun 29, 2017
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef BONDVECTORSUNITTEST_HPP_
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| 9 | #define BONDVECTORSUNITTEST_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 <vector>
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| 20 |
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| 21 | #include "Bond/bond.hpp"
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| 22 |
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| 23 | class atom;
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| 24 | class BondVectors;
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| 25 | class element;
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| 26 |
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| 27 | /********************************************** Test classes **************************************/
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| 28 |
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| 29 | class BondVectorsTest : public CppUnit::TestFixture
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| 30 | {
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| 31 | CPPUNIT_TEST_SUITE( BondVectorsTest) ;
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| 32 | CPPUNIT_TEST ( current_mappedTest );
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| 33 | CPPUNIT_TEST ( weights_singlebondTest );
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| 34 | CPPUNIT_TEST ( weights_linearchainTest );
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| 35 | CPPUNIT_TEST ( weights_rightangleTest );
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| 36 | CPPUNIT_TEST ( weights_triangleTest );
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| 37 | CPPUNIT_TEST ( weights_complexTest );
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| 38 | CPPUNIT_TEST_SUITE_END();
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| 39 |
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| 40 | public:
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| 41 | void setUp();
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| 42 | void tearDown();
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| 43 | void current_mappedTest();
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| 44 | void weights_singlebondTest();
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| 45 | void weights_linearchainTest();
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| 46 | void weights_rightangleTest();
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| 47 | void weights_triangleTest();
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| 48 | void weights_complexTest();
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| 49 |
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| 50 | private:
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| 51 | enum atomPositions
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| 52 | {
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| 53 | left,
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| 54 | center,
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| 55 | right,
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| 56 | top,
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| 57 | topright,
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| 58 | bottom,
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| 59 | bottomright
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| 60 | };
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| 61 |
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| 62 | BondVectors *bv;
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| 63 | std::vector<atom *> atoms;
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| 64 | std::vector<atom *> atomvector;
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| 65 | std::vector<bond::ptr> bondvector;
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| 66 | atom * _atom;
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| 67 | bond * _bond;
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| 68 | const element * carbon;
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| 69 | };
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| 70 |
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| 71 | #endif /* BONDVECTORSUNITTEST_HPP_ */
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