/*========================================================================= Program: Visualization Toolkit Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen All rights reserved. See Copyright.txt or http://www.kitware.com/Copyright.htm for details. This software is distributed WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the above copyright notice for more information. =========================================================================*/ #include "vtkMolecule.h" #include "vtkNew.h" #include "vtkSimpleBondPerceiver.h" int TestSimpleBondPerceiver(int, char*[]) { vtkIdType numBonds; vtkNew mol; vtkNew bonder; bonder->SetInputData(mol); // bonder->DebugOn(); // First try out the render test molecule: mol->AppendAtom(8, 3.0088731969, 1.1344098673, 0.9985902874); mol->AppendAtom(8, -0.2616286966, 2.7806709534, 0.7027800226); mol->AppendAtom(6, -2.0738607910, 1.2298524695, 0.3421802228); mol->AppendAtom(6, -1.4140240045, 0.1045928523, 0.0352265378); mol->AppendAtom(6, 0.0000000000, 0.0000000000, 0.0000000000); mol->AppendAtom(6, 1.2001889412, 0.0000000000, 0.0000000000); mol->AppendAtom(6, -1.4612030913, 2.5403617582, 0.6885503164); mol->AppendAtom(6, 2.6528126498, 0.1432895796, 0.0427014196); mol->AppendAtom(1, -3.1589178142, 1.2268537165, 0.3536340040); mol->AppendAtom(1, -1.9782163251, -0.7930325394, -0.1986937306); mol->AppendAtom(1, 3.0459155564, 0.4511167867, -0.9307386568); mol->AppendAtom(1, 3.1371551056, -0.7952192984, 0.3266426961); mol->AppendAtom(1, 2.3344947615, 1.8381683043, 0.9310726537); mol->AppendAtom(1, -2.1991803919, 3.3206134015, 0.9413825084); bonder->Update(); numBonds = bonder->GetOutput()->GetNumberOfBonds(); if (numBonds != 13) { cout << "Number of bonds in test molecule: " << numBonds << " (should be 13)\n"; return EXIT_FAILURE; } return EXIT_SUCCESS; }