--- trunk/src/applications/staticProps/GofR.cpp 2005/02/16 19:36:30 353 +++ trunk/src/applications/staticProps/GofR.cpp 2005/02/17 18:30:54 361 @@ -46,8 +46,8 @@ namespace oopse { namespace oopse { -GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2) - : RadialDistrFunc(info, filename, sele1, sele2){ +GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins) + : RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins){ deltaR_ = len_ /nRBins_; @@ -94,7 +94,7 @@ void GofR::collectHistogram(StuntDouble* sd1, StuntDou Vector3d pos1 = sd1->getPos(); Vector3d pos2 = sd2->getPos(); - Vector3d r12 = pos1 - pos2; + Vector3d r12 = pos2 - pos1; currentSnapshot_->wrapVector(r12); double distance = r12.length(); @@ -120,7 +120,9 @@ void GofR::writeRdf() { } else { - + sprintf(painCave.errMsg, "GofR: unable to open %s\n", outputFilename_.c_str()); + painCave.isFatal = 1; + simError(); } rdfStream.close();