--- trunk/src/applications/staticProps/NanoVolume.cpp 2010/01/08 17:15:27 1402 +++ trunk/src/applications/staticProps/NanoVolume.cpp 2013/06/16 15:15:42 1879 @@ -34,21 +34,23 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * - * * NanoVolume.cpp * * Created by Charles F. Vardeman II on 14 Dec 2006. * @author Charles F. Vardeman II - * @version $Id: NanoVolume.cpp,v 1.10 2009-11-25 20:01:59 gezelter Exp $ + * @version $Id$ * */ #include "applications/staticProps/NanoVolume.hpp" +#if defined(HAVE_QHULL) #include "math/ConvexHull.hpp" #include "math/AlphaHull.hpp" +#endif #include "utils/simError.h" #include "io/DumpReader.hpp" #include "primitives/Molecule.hpp" @@ -83,10 +85,8 @@ void NanoVolume::process() { Vector3d vec; int i,j; -#ifdef HAVE_QHULL - // ConvexHull* thishull = new ConvexHull(); - AlphaHull* thishull = new AlphaHull(2.0); -#endif + //ConvexHull* thishull = new ConvexHull(); + AlphaHull* thishull = new AlphaHull(2.0); DumpReader reader(info_, dumpFilename_); int nFrames = reader.getNFrames(); @@ -155,7 +155,6 @@ void NanoVolume::process() { sprintf(painCave.errMsg, "NanoVolume: qhull support was not compiled in!\n"); painCave.isFatal = 1; simError(); - #endif }