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root/OpenMD/trunk/src/applications/dynamicProps/DynamicProps.cpp
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Comparing trunk/src/applications/dynamicProps/DynamicProps.cpp (file contents):
Revision 916 by tim, Fri Mar 24 16:49:09 2006 UTC vs.
Revision 1112 by chuckv, Wed Jan 3 20:47:00 2007 UTC

# Line 50 | Line 50
50  
51   #include "applications/dynamicProps/DynamicPropsCmd.h"
52   #include "applications/dynamicProps/DipoleCorrFunc.hpp"
53 – #include "applications/dynamicProps/RMSD.hpp"
53   #include "applications/dynamicProps/RCorrFunc.hpp"
54   #include "applications/dynamicProps/VCorrFunc.hpp"
55   #include "applications/dynamicProps/LegendreCorrFunc.hpp"
56 + #include "applications/dynamicProps/RadialRCorrFunc.hpp"
57 + #include "applications/dynamicProps/ThetaCorrFunc.hpp"
58  
59  
60   using namespace oopse;
# Line 73 | Line 74 | int main(int argc, char* argv[]){
74  
75    //get the dumpfile name and meta-data file name
76    std::string dumpFileName = args_info.input_arg;
76 –
77 –  std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md";
78 –
77      
78    std::string sele1;
79    std::string sele2;
# Line 108 | Line 106 | int main(int argc, char* argv[]){
106  
107    //parse md file and set up the system
108    SimCreator creator;
109 <  SimInfo* info = creator.createSim(mdFileName, false);
109 >  SimInfo* info = creator.createSim(dumpFileName, false);
110  
111  
112    TimeCorrFunc* corrFunc;
113 <  if (args_info.rmsd_given) {
116 <    corrFunc = new RMSD(info, dumpFileName, sele1, sele2);
117 <  } else if (args_info.dcorr_given){
113 >  if (args_info.dcorr_given){
114      corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2);
115    } else if (args_info.rcorr_given) {
116      corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2);
117 +  } else if (args_info.r_rcorr_given) {
118 +    corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2);
119 +  } else if (args_info.thetacorr_given) {
120 +    corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2);
121    }
122    else if (args_info.vcorr_given) {
123      corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);

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