| 54 |
|
#include "types/FixedChargeAdapter.hpp" |
| 55 |
|
#include "types/FluctuatingChargeAdapter.hpp" |
| 56 |
|
#include "types/MultipoleAdapter.hpp" |
| 57 |
+ |
#ifdef HAVE_QHULL |
| 58 |
|
#include "math/ConvexHull.hpp" |
| 59 |
|
#include "math/AlphaHull.hpp" |
| 60 |
+ |
#endif |
| 61 |
|
|
| 62 |
|
using namespace std; |
| 63 |
|
namespace OpenMD { |
| 866 |
|
|
| 867 |
|
RealType Thermo::getHullVolume(){ |
| 868 |
|
Snapshot* snap = info_->getSnapshotManager()->getCurrentSnapshot(); |
| 869 |
< |
|
| 869 |
> |
|
| 870 |
> |
#ifdef HAVE_QHULL |
| 871 |
|
if (!snap->hasHullVolume) { |
| 869 |
– |
|
| 872 |
|
Hull* surfaceMesh_; |
| 873 |
|
|
| 874 |
|
Globals* simParams = info_->getSimParams(); |
| 904 |
|
snap->setHullVolume(surfaceMesh_->getVolume()); |
| 905 |
|
} |
| 906 |
|
return snap->getHullVolume(); |
| 907 |
< |
} |
| 907 |
> |
#else |
| 908 |
> |
return 0.0; |
| 909 |
> |
#endif |
| 910 |
> |
} |
| 911 |
|
} |
