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* |
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* Created by Charles F. Vardeman II on 14 Dec 2006. |
| 47 |
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* @author Charles F. Vardeman II |
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< |
* @version $Id: NanoVolume.cpp,v 1.5 2007-12-06 20:40:30 chuckv Exp $ |
| 48 |
> |
* @version $Id: NanoVolume.cpp,v 1.6 2008-01-08 19:36:28 chuckv Exp $ |
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* |
| 50 |
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*/ |
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|
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#include "applications/staticProps/NanoVolume.hpp" |
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#include "math/ConvexHull.hpp" |
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+ |
#include "math/AlphaShape.hpp" |
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#include "utils/simError.h" |
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#include "io/DumpReader.hpp" |
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#include "primitives/Molecule.hpp" |
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} |
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// Generate convex hull for this frame. |
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hull->genHull(pos_); |
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< |
totalVolume_ += hull->getVolume(); |
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> |
// totalVolume_ += hull->getVolume(); |
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} |
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< |
RealType avgVolume = totalVolume_/(RealType) frameCounter_; |
| 137 |
> |
//RealType avgVolume = totalVolume_/(RealType) frameCounter_; |
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//std::cout.precision(7); |
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//std::cout << avgVolume << std::endl; |
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< |
|
| 140 |
> |
/* |
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std::ofstream osq(getOutputFileName().c_str()); |
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osq.precision(7); |
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if (osq.is_open()){ |
| 145 |
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|
| 146 |
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} |
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osq.close(); |
| 148 |
+ |
*/ |
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#else |
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sprintf(painCave.errMsg, "NanoVolume: Neither CGAL nor qhull support was compiled in!\n"); |
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painCave.isFatal = 1; |
| 152 |
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simError(); |
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+ |
|
| 154 |
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#endif |
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+ |
|
| 156 |
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} |
