34 |
|
* |
35 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
36 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
37 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
37 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
38 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
39 |
|
* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
40 |
|
* |
74 |
|
void AlphaHull::computeHull(std::vector<StuntDouble*> bodydoubles) { |
75 |
|
|
76 |
|
int numpoints = bodydoubles.size(); |
77 |
< |
bool alphashape=true; |
77 |
> |
// bool alphashape=true; |
78 |
|
|
79 |
|
Triangles_.clear(); |
80 |
|
|
81 |
< |
vertexT *vertex, **vertexp; |
81 |
> |
vertexT *vertex; |
82 |
> |
// vertexT **vertexp; |
83 |
|
facetT *facet, *neighbor; |
84 |
< |
setT *vertices, *verticestop, *verticesbottom; |
84 |
> |
// setT *vertices, *verticestop, *verticesbottom; |
85 |
|
int curlong, totlong; |
86 |
|
pointT *interiorPoint; |
87 |
|
|