- Timestamp:
- Apr 15, 2010, 10:54:26 AM (16 years ago)
- Children:
- 32842d8
- Parents:
- 1f591b
- File:
-
- 1 edited
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molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
r1f591b re7ea64 40 40 void AnalysisCorrelationToSurfaceUnitTest::setUp() 41 41 { 42 ASSERT_DO(Assert::Throw);42 //ASSERT_DO(Assert::Throw); 43 43 44 44 atom *Walker = NULL; … … 73 73 Walker = World::getInstance().createAtom(); 74 74 Walker->type = hydrogen; 75 Walker->node->Init(1., 0., 1. );76 TestMolecule->AddAtom(Walker); 77 Walker = World::getInstance().createAtom(); 78 Walker->type = hydrogen; 79 Walker->node->Init(0., 1., 1. );80 TestMolecule->AddAtom(Walker); 81 Walker = World::getInstance().createAtom(); 82 Walker->type = hydrogen; 83 Walker->node->Init(1., 1., 0. );84 TestMolecule->AddAtom(Walker); 85 Walker = World::getInstance().createAtom(); 86 Walker->type = hydrogen; 87 Walker->node->Init(0., 0., 0. );75 *Walker->node = Vector(1., 0., 1. ); 76 TestMolecule->AddAtom(Walker); 77 Walker = World::getInstance().createAtom(); 78 Walker->type = hydrogen; 79 *Walker->node = Vector(0., 1., 1. ); 80 TestMolecule->AddAtom(Walker); 81 Walker = World::getInstance().createAtom(); 82 Walker->type = hydrogen; 83 *Walker->node = Vector(1., 1., 0. ); 84 TestMolecule->AddAtom(Walker); 85 Walker = World::getInstance().createAtom(); 86 Walker->type = hydrogen; 87 *Walker->node = Vector(0., 0., 0. ); 88 88 TestMolecule->AddAtom(Walker); 89 89 … … 106 106 Walker = World::getInstance().createAtom(); 107 107 Walker->type = carbon; 108 Walker->node->Init(4., 0., 4. );109 TestMolecule->AddAtom(Walker); 110 Walker = World::getInstance().createAtom(); 111 Walker->type = carbon; 112 Walker->node->Init(0., 4., 4. );113 TestMolecule->AddAtom(Walker); 114 Walker = World::getInstance().createAtom(); 115 Walker->type = carbon; 116 Walker->node->Init(4., 4., 0. );108 *Walker->node = Vector(4., 0., 4. ); 109 TestMolecule->AddAtom(Walker); 110 Walker = World::getInstance().createAtom(); 111 Walker->type = carbon; 112 *Walker->node = Vector(0., 4., 4. ); 113 TestMolecule->AddAtom(Walker); 114 Walker = World::getInstance().createAtom(); 115 Walker->type = carbon; 116 *Walker->node = Vector(4., 4., 0. ); 117 117 TestMolecule->AddAtom(Walker); 118 118 // add inner atoms 119 119 Walker = World::getInstance().createAtom(); 120 120 Walker->type = carbon; 121 Walker->node->Init(0.5, 0.5, 0.5 );121 *Walker->node = Vector(0.5, 0.5, 0.5 ); 122 122 TestMolecule->AddAtom(Walker); 123 123
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