--- trunk/src/applications/staticProps/GofRAngle.cpp 2005/02/17 15:23:56 359 +++ trunk/src/applications/staticProps/GofRAngle.cpp 2005/02/17 16:21:07 360 @@ -127,19 +127,23 @@ void GofRAngle::writeRdf() { rdfStream << "#radial distribution function\n"; rdfStream << "#selection1: (" << selectionScript1_ << ")\t"; rdfStream << "selection2: (" << selectionScript2_ << ")\n"; - rdfStream << "#r\tcorrValue\n"; + rdfStream << "#nRBins = " << nRBins_ << "\t maxLen = " << len_ << "deltaR = " << deltaR_ <<"\n"; + rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n"; for (int i = 0; i < avgGofr_.size(); ++i) { double r = deltaR_ * (i + 0.5); for(int j = 0; j < avgGofr_[i].size(); ++j) { double cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_; - rdfStream << r << "\t" << cosAngle << "\t" << avgGofr_[i][j]/nProcessed_ << "\n"; + rdfStream << avgGofr_[i][j]/nProcessed_ << "\t"; } + + rdfStream << "\n"; } } else { - - + sprintf(painCave.errMsg, "GofRAngle: unable to open %s\n", outputFilename_.c_str()); + painCave.isFatal = 1; + simError(); } rdfStream.close();