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src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp
r88b400 rbcf653 1 /* 2 * Project: MoleCuilder 3 * Description: creates and alters molecular systems 4 * Copyright (C) 2010 University of Bonn. All rights reserved. 5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. 6 */ 7 1 8 /* 2 9 * SurfaceCorrelationAction.cpp … … 5 12 * Author: heber 6 13 */ 14 15 // include config.h 16 #ifdef HAVE_CONFIG_H 17 #include <config.h> 18 #endif 7 19 8 20 #include "Helpers/MemDebug.hpp" … … 79 91 ofstream output; 80 92 ofstream binoutput; 81 std::vector< element *> elements;93 std::vector<const element *> elements; 82 94 string type; 83 95 Vector Point; … … 112 124 // find biggest molecule 113 125 std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules(); 126 std::cout << "There are " << molecules.size() << " selected molecules." << std::endl; 114 127 LCList = new LinkedCell(Boundary, LCWidth); 115 128 FindNonConvexBorder(Boundary, TesselStruct, LCList, radius, NULL);
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