- Timestamp:
- Feb 24, 2010, 4:21:12 PM (16 years ago)
- Children:
- 5bf941
- Parents:
- 01d28a
- git-author:
- Tillmann Crueger <crueger@…> (02/24/10 15:29:12)
- git-committer:
- Tillmann Crueger <crueger@…> (02/24/10 16:21:12)
- File:
-
- 1 edited
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molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
r01d28a r7bfc19 17 17 #include "AnalysisCorrelationToSurfaceUnitTest.hpp" 18 18 19 #include "World.hpp" 19 20 #include "atom.hpp" 20 21 #include "boundary.hpp" … … 61 62 // construct molecule (tetraeder of hydrogens) base 62 63 TestMolecule = new molecule(tafel); 63 Walker = new atom();64 Walker = World::get()->createAtom(); 64 65 Walker->type = hydrogen; 65 66 Walker->node->Init(1., 0., 1. ); 66 67 TestMolecule->AddAtom(Walker); 67 Walker = new atom();68 Walker = World::get()->createAtom(); 68 69 Walker->type = hydrogen; 69 70 Walker->node->Init(0., 1., 1. ); 70 71 TestMolecule->AddAtom(Walker); 71 Walker = new atom();72 Walker = World::get()->createAtom(); 72 73 Walker->type = hydrogen; 73 74 Walker->node->Init(1., 1., 0. ); 74 75 TestMolecule->AddAtom(Walker); 75 Walker = new atom();76 Walker = World::get()->createAtom(); 76 77 Walker->type = hydrogen; 77 78 Walker->node->Init(0., 0., 0. ); … … 94 95 95 96 // add outer atoms 96 Walker = new atom();97 Walker = World::get()->createAtom(); 97 98 Walker->type = carbon; 98 99 Walker->node->Init(4., 0., 4. ); 99 100 TestMolecule->AddAtom(Walker); 100 Walker = new atom();101 Walker = World::get()->createAtom(); 101 102 Walker->type = carbon; 102 103 Walker->node->Init(0., 4., 4. ); 103 104 TestMolecule->AddAtom(Walker); 104 Walker = new atom();105 Walker = World::get()->createAtom(); 105 106 Walker->type = carbon; 106 107 Walker->node->Init(4., 4., 0. ); 107 108 TestMolecule->AddAtom(Walker); 108 109 // add inner atoms 109 Walker = new atom();110 Walker = World::get()->createAtom(); 110 111 Walker->type = carbon; 111 112 Walker->node->Init(0.5, 0.5, 0.5 );
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