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TabularUnified src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp ¶
r46d958 r49e1ae 17 17 #include "AnalysisCorrelationToSurfaceUnitTest.hpp" 18 18 19 #include "World.hpp"20 19 #include "atom.hpp" 21 20 #include "boundary.hpp" … … 62 61 // construct molecule (tetraeder of hydrogens) base 63 62 TestMolecule = new molecule(tafel); 64 Walker = World::get()->createAtom();63 Walker = new atom(); 65 64 Walker->type = hydrogen; 66 65 Walker->node->Init(1., 0., 1. ); 67 66 TestMolecule->AddAtom(Walker); 68 Walker = World::get()->createAtom();67 Walker = new atom(); 69 68 Walker->type = hydrogen; 70 69 Walker->node->Init(0., 1., 1. ); 71 70 TestMolecule->AddAtom(Walker); 72 Walker = World::get()->createAtom();71 Walker = new atom(); 73 72 Walker->type = hydrogen; 74 73 Walker->node->Init(1., 1., 0. ); 75 74 TestMolecule->AddAtom(Walker); 76 Walker = World::get()->createAtom();75 Walker = new atom(); 77 76 Walker->type = hydrogen; 78 77 Walker->node->Init(0., 0., 0. ); … … 95 94 96 95 // add outer atoms 97 Walker = World::get()->createAtom();96 Walker = new atom(); 98 97 Walker->type = carbon; 99 98 Walker->node->Init(4., 0., 4. ); 100 99 TestMolecule->AddAtom(Walker); 101 Walker = World::get()->createAtom();100 Walker = new atom(); 102 101 Walker->type = carbon; 103 102 Walker->node->Init(0., 4., 4. ); 104 103 TestMolecule->AddAtom(Walker); 105 Walker = World::get()->createAtom();104 Walker = new atom(); 106 105 Walker->type = carbon; 107 106 Walker->node->Init(4., 4., 0. ); 108 107 TestMolecule->AddAtom(Walker); 109 108 // add inner atoms 110 Walker = World::get()->createAtom();109 Walker = new atom(); 111 110 Walker->type = carbon; 112 111 Walker->node->Init(0.5, 0.5, 0.5 );
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