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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 1.7 2008-09-14 01:32:23 chuckv Exp $ |
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> |
* @version $Id: NanoVolume.cpp,v 1.8 2008-10-15 18:26:01 chuckv Exp $ |
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* |
| 50 |
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*/ |
| 51 |
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|
| 123 |
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} |
| 124 |
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|
| 125 |
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// outer loop is over the selected StuntDoubles: |
| 126 |
< |
/* |
| 126 |
> |
|
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for (sd = seleMan_.beginSelected(i); sd != NULL; |
| 128 |
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sd = seleMan_.nextSelected(i)) { |
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|
| 130 |
< |
pos_.push_back(sd->getPos()); |
| 130 |
> |
theAtoms_.push_back(sd); |
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myIndex = sd->getGlobalIndex(); |
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|
| 133 |
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} |
| 134 |
< |
*/ |
| 134 |
> |
|
| 135 |
> |
/* |
| 136 |
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for (mol = info_->beginMolecule(mi); mol != NULL; |
| 137 |
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mol = info_->nextMolecule(mi)) { |
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for (atom = mol->beginAtom(ai); atom != NULL; |
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theAtoms_.push_back(atom); |
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} |
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} |
| 143 |
< |
|
| 143 |
> |
*/ |
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// Generate convex hull for this frame. |
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thishull->computeHull(theAtoms_); |
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// totalVolume_ += hull->getVolume(); |
