--- trunk/src/applications/dynamicProps/DynamicProps.cpp 2006/03/24 16:49:09 916 +++ trunk/src/applications/dynamicProps/DynamicProps.cpp 2007/01/03 20:47:00 1112 @@ -50,10 +50,11 @@ #include "applications/dynamicProps/DynamicPropsCmd.h" #include "applications/dynamicProps/DipoleCorrFunc.hpp" -#include "applications/dynamicProps/RMSD.hpp" #include "applications/dynamicProps/RCorrFunc.hpp" #include "applications/dynamicProps/VCorrFunc.hpp" #include "applications/dynamicProps/LegendreCorrFunc.hpp" +#include "applications/dynamicProps/RadialRCorrFunc.hpp" +#include "applications/dynamicProps/ThetaCorrFunc.hpp" using namespace oopse; @@ -73,9 +74,6 @@ int main(int argc, char* argv[]){ //get the dumpfile name and meta-data file name std::string dumpFileName = args_info.input_arg; - - std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md"; - std::string sele1; std::string sele2; @@ -108,16 +106,18 @@ int main(int argc, char* argv[]){ //parse md file and set up the system SimCreator creator; - SimInfo* info = creator.createSim(mdFileName, false); + SimInfo* info = creator.createSim(dumpFileName, false); TimeCorrFunc* corrFunc; - if (args_info.rmsd_given) { - corrFunc = new RMSD(info, dumpFileName, sele1, sele2); - } else if (args_info.dcorr_given){ + if (args_info.dcorr_given){ corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2); } else if (args_info.rcorr_given) { corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2); + } else if (args_info.r_rcorr_given) { + corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2); + } else if (args_info.thetacorr_given) { + corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2); } else if (args_info.vcorr_given) { corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);