--- branches/development/src/rnemd/RNEMD.cpp 2013/05/17 14:41:42 1875 +++ branches/development/src/rnemd/RNEMD.cpp 2013/05/17 17:10:11 1876 @@ -1737,10 +1737,19 @@ namespace OpenMD { sd = seleManA_.nextSelected(isd)) { aSites.push_back(sd); } +#if defined(HAVE_QHULL) ConvexHull* surfaceMeshA = new ConvexHull(); surfaceMeshA->computeHull(aSites); areaA = surfaceMeshA->getArea(); delete surfaceMeshA; +#else + sprintf( painCave.errMsg, + "RNEMD::getDividingArea : Hull calculation is not possible\n" + "\twithout libqhull. Please rebuild OpenMD with qhull enabled."); + painCave.severity = OPENMD_ERROR; + painCave.isFatal = 1; + simError(); +#endif } else { if (usePeriodicBoundaryConditions_) { @@ -1754,8 +1763,6 @@ namespace OpenMD { areaA = 4.0 * M_PI * pow(sphereARadius_, 2); } } - - if (hasSelectionB_) { int isd; @@ -1766,10 +1773,21 @@ namespace OpenMD { sd = seleManB_.nextSelected(isd)) { bSites.push_back(sd); } + +#if defined(HAVE_QHULL) ConvexHull* surfaceMeshB = new ConvexHull(); surfaceMeshB->computeHull(bSites); areaB = surfaceMeshB->getArea(); delete surfaceMeshB; +#else + sprintf( painCave.errMsg, + "RNEMD::getDividingArea : Hull calculation is not possible\n" + "\twithout libqhull. Please rebuild OpenMD with qhull enabled."); + painCave.severity = OPENMD_ERROR; + painCave.isFatal = 1; + simError(); +#endif + } else { if (usePeriodicBoundaryConditions_) {