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* |
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* NanoVolume.hpp |
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* |
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* Purpose: To calculate convexhull, hull volume and radius |
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* using the CGAL library. |
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* |
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* Created by Charles F. Vardeman II on 14 Dec 2006. |
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* @author Charles F. Vardeman II |
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< |
* @version $Id: NanoVolume.hpp,v 1.2 2007-09-17 20:15:27 chuckv Exp $ |
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* @version $Id: NanoVolume.hpp,v 1.7 2009-10-22 14:19:26 gezelter Exp $ |
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* |
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*/ |
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#ifndef APPLICATIONS_STATICPROPS_NANOVOLUME_HPP_ |
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#define APPLICATIONS_STATICPROPS_NANOVOLUME_HPP_ |
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|
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#include <vector> |
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#include "config.h" |
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#include "math/Vector3.hpp" |
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#include "selection/SelectionEvaluator.hpp" |
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#include "selection/SelectionManager.hpp" |
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#include "applications/staticProps/StaticAnalyser.hpp" |
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|
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#ifdef HAVE_QHULL |
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#include "math/ConvexHull.hpp" |
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#endif |
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|
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namespace oopse { |
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class NanoVolume : public StaticAnalyser { |
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std::string selectionScript_; |
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SelectionManager seleMan_; |
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SelectionEvaluator evaluator_; |
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std::vector<Vector3d> pos_; |
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std::vector<StuntDouble*> theAtoms_; |
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int frameCounter_; |
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RealType totalVolume_; |
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|
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}; |
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} |
