| 40 |
|
* |
| 41 |
|
* NanoVolume.cpp |
| 42 |
|
* |
| 43 |
– |
* Purpose: To calculate convexhull, hull volume and radius |
| 44 |
– |
* using the CGAL library. |
| 45 |
– |
* |
| 43 |
|
* Created by Charles F. Vardeman II on 14 Dec 2006. |
| 44 |
|
* @author Charles F. Vardeman II |
| 45 |
< |
* @version $Id: NanoVolume.cpp,v 1.8 2008-10-15 18:26:01 chuckv Exp $ |
| 45 |
> |
* @version $Id: NanoVolume.cpp,v 1.9 2009-10-22 14:19:26 gezelter Exp $ |
| 46 |
|
* |
| 47 |
|
*/ |
| 48 |
|
|
| 49 |
|
#include "applications/staticProps/NanoVolume.hpp" |
| 50 |
|
#include "math/ConvexHull.hpp" |
| 54 |
– |
//#include "math/AlphaShape.hpp" |
| 51 |
|
#include "utils/simError.h" |
| 52 |
|
#include "io/DumpReader.hpp" |
| 53 |
|
#include "primitives/Molecule.hpp" |
| 70 |
|
} |
| 71 |
|
|
| 72 |
|
void NanoVolume::process() { |
| 73 |
< |
#if defined(HAVE_CGAL) || defined(HAVE_QHULL) |
| 73 |
> |
#if defined(HAVE_QHULL) |
| 74 |
|
Molecule* mol; |
| 75 |
|
Atom* atom; |
| 76 |
|
RigidBody* rb; |
| 85 |
|
#ifdef HAVE_QHULL |
| 86 |
|
ConvexHull* thishull = new ConvexHull(); |
| 87 |
|
#endif |
| 92 |
– |
#ifdef HAVE_CGAL |
| 93 |
– |
// AlphaShape* hull = new AlphaShape(); |
| 94 |
– |
ConvexHull* thishull = new ConvexHull(); |
| 95 |
– |
#endif |
| 88 |
|
|
| 89 |
|
DumpReader reader(info_, dumpFilename_); |
| 90 |
|
int nFrames = reader.getNFrames(); |
| 150 |
|
osq.close(); |
| 151 |
|
*/ |
| 152 |
|
#else |
| 153 |
< |
sprintf(painCave.errMsg, "NanoVolume: Neither CGAL nor qhull support was compiled in!\n"); |
| 153 |
> |
sprintf(painCave.errMsg, "NanoVolume: qhull support was not compiled in!\n"); |
| 154 |
|
painCave.isFatal = 1; |
| 155 |
|
simError(); |
| 156 |
|
|
