| 44 |
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* |
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* Created by Charles F. Vardeman II on 11 Dec 2006. |
| 46 |
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* @author Charles F. Vardeman II |
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< |
* @version $Id: ConvexHull.cpp,v 1.9 2008-10-07 17:12:48 chuckv Exp $ |
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> |
* @version $Id: ConvexHull.cpp,v 1.10 2008-10-15 18:26:01 chuckv Exp $ |
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* |
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*/ |
| 50 |
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|
| 369 |
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#else |
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#ifdef HAVE_QHULL |
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/* Old options Qt Qu Qg QG0 FA */ |
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< |
ConvexHull::ConvexHull() : Hull(), dim_(3), options_("qhull Qt Qci Tcv Pp"), Ns_(200) { |
| 372 |
> |
/* More old opts Qc Qi Pp*/ |
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> |
ConvexHull::ConvexHull() : Hull(), dim_(3), options_("qhull Qt Pp"), Ns_(200) { |
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//If we are doing the mpi version, set up some vectors for data communication |
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#ifdef IS_MPI |
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Triangle* face = new Triangle(); |
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Vector3d V3dNormal(facet->normal[0],facet->normal[1],facet->normal[2]); |
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face->setNormal(V3dNormal); |
| 606 |
< |
//face->setCentroid(V3dCentroid); |
| 606 |
> |
|
| 607 |
> |
|
| 608 |
> |
|
| 609 |
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RealType faceArea = 0.5*V3dNormal.length(); |
| 610 |
< |
//face->setArea(faceArea); |
| 610 |
> |
face->setArea(faceArea); |
| 611 |
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|
| 612 |
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| 613 |
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vertices = qh_facet3vertex(facet); |
| 614 |
+ |
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| 615 |
+ |
coordT *center = qh_getcenter(vertices); |
| 616 |
+ |
Vector3d V3dCentroid(center[0], center[1], center[2]); |
| 617 |
+ |
face->setCentroid(V3dCentroid); |
| 618 |
+ |
|
| 619 |
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FOREACHvertex_(vertices){ |
| 620 |
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id = qh_pointid(vertex->point); |
| 621 |
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int localindex = id; |
| 642 |
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} |
| 643 |
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#endif |
| 644 |
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} //Foreachvertex |
| 645 |
+ |
/* |
| 646 |
+ |
if (!SETempty_(facet->coplanarset)){ |
| 647 |
+ |
FOREACHpoint_(facet->coplanarset){ |
| 648 |
+ |
id = qh_pointid(point); |
| 649 |
+ |
surfaceSDs_.push_back(bodydoubles[id]); |
| 650 |
+ |
} |
| 651 |
+ |
} |
| 652 |
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|
| 653 |
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Triangles_.push_back(face); |
| 654 |
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qh_settempfree(&vertices); |
| 655 |
< |
|
| 655 |
> |
*/ |
| 656 |
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} //FORALLfacets |
| 657 |
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| 658 |
< |
|
| 658 |
> |
/* |
| 659 |
> |
std::cout << surfaceSDs_.size() << std::endl; |
| 660 |
> |
for (SD = surfaceSDs_.begin(); SD != surfaceSDs_.end(); ++SD){ |
| 661 |
> |
Vector3d thisatom = (*SD)->getPos(); |
| 662 |
> |
std::cout << "Au " << thisatom.x() << " " << thisatom.y() << " " << thisatom.z() << std::endl; |
| 663 |
> |
} |
| 664 |
> |
*/ |
| 665 |
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|
| 645 |
– |
Ns_ = surfaceSDs_.size(); |
| 666 |
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|
| 667 |
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|
| 668 |
< |
qh_getarea(qh facet_list); |
| 669 |
< |
volume_ = qh totvol; |
| 670 |
< |
area_ = qh totarea; |
| 671 |
< |
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| 672 |
< |
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| 673 |
< |
|
| 674 |
< |
qh_freeqhull(!qh_ALL); |
| 675 |
< |
qh_memfreeshort(&curlong, &totlong); |
| 676 |
< |
if (curlong || totlong) |
| 677 |
< |
std::cerr << "qhull internal warning (main): did not free %d bytes of long memory (%d pieces) " |
| 678 |
< |
<< totlong << curlong << std::endl; |
| 679 |
< |
|
| 680 |
< |
|
| 681 |
< |
|
| 668 |
> |
Ns_ = surfaceSDs_.size(); |
| 669 |
> |
|
| 670 |
> |
|
| 671 |
> |
qh_getarea(qh facet_list); |
| 672 |
> |
volume_ = qh totvol; |
| 673 |
> |
area_ = qh totarea; |
| 674 |
> |
|
| 675 |
> |
|
| 676 |
> |
|
| 677 |
> |
qh_freeqhull(!qh_ALL); |
| 678 |
> |
qh_memfreeshort(&curlong, &totlong); |
| 679 |
> |
if (curlong || totlong) |
| 680 |
> |
std::cerr << "qhull internal warning (main): did not free %d bytes of long memory (%d pieces) " |
| 681 |
> |
<< totlong << curlong << std::endl; |
| 682 |
> |
|
| 683 |
> |
|
| 684 |
> |
|
| 685 |
|
} |
| 686 |
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| 687 |
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