--- trunk/src/applications/staticProps/NanoVolume.cpp 2007/11/22 16:39:45 1188 +++ trunk/src/applications/staticProps/NanoVolume.cpp 2007/12/06 20:04:02 1195 @@ -45,7 +45,7 @@ * * Created by Charles F. Vardeman II on 14 Dec 2006. * @author Charles F. Vardeman II - * @version $Id: NanoVolume.cpp,v 1.2 2007-11-22 16:39:44 chuckv Exp $ + * @version $Id: NanoVolume.cpp,v 1.4 2007-12-06 20:04:01 cpuglis Exp $ * */ @@ -62,7 +62,7 @@ NanoVolume::NanoVolume(SimInfo* info, const std::string& filename, const std::string& sele) : StaticAnalyser(info, filename), selectionScript_(sele), evaluator_(info), seleMan_(info) { - setOutputName(getPrefix(filename) + ".off"); + setOutputName(getPrefix(filename) + ".avol"); evaluator_.loadScriptString(sele); if (!evaluator_.isDynamic()) { @@ -73,7 +73,7 @@ void NanoVolume::process() { } void NanoVolume::process() { - +#if defined(HAVE_CGAL) Molecule* mol; Atom* atom; RigidBody* rb; @@ -129,5 +129,19 @@ void NanoVolume::process() { totalVolume_ += hull->getVolume(); } RealType avgVolume = totalVolume_/(RealType) frameCounter_; - std::cout << avgVolume << std::endl; + //std::cout.precision(7); + //std::cout << avgVolume << std::endl; + + std::ofstream osq(getOutputFileName().c_str()); + osq.precision(7); + if (osq.is_open()){ + osq << avgVolume << std::endl; + + } + osq.close(); +#else + sprintf(painCave.errMsg, "NanoVolume: CGAL support was not compiled in!\n"); + painCave.isFatal = 1; + simError(); +#endif }