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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 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1213 by xsun, Wed Jan 23 21:21:50 2008 UTC

# Line 52 | Line 52
52   #include "applications/dynamicProps/DipoleCorrFunc.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 + #include "applications/dynamicProps/DirectionalRCorrFunc.hpp"
59  
60 +
61   using namespace oopse;
62  
63   int main(int argc, char* argv[]){
# Line 70 | Line 75 | int main(int argc, char* argv[]){
75  
76    //get the dumpfile name and meta-data file name
77    std::string dumpFileName = args_info.input_arg;
73 –
74 –  std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md";
75 –
78      
79    std::string sele1;
80    std::string sele2;
# Line 105 | Line 107 | int main(int argc, char* argv[]){
107  
108    //parse md file and set up the system
109    SimCreator creator;
110 <  SimInfo* info = creator.createSim(mdFileName, false);
110 >  SimInfo* info = creator.createSim(dumpFileName, false);
111  
112  
113    TimeCorrFunc* corrFunc;
# Line 113 | Line 115 | int main(int argc, char* argv[]){
115      corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2);
116    } else if (args_info.rcorr_given) {
117      corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2);
118 +  } else if (args_info.r_rcorr_given) {
119 +    corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2);
120 +  } else if (args_info.thetacorr_given) {
121 +    corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2);
122 +  } else if (args_info.drcorr_given) {
123 +    corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2);
124    }
125    else if (args_info.vcorr_given) {
126      corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);
127 +  } else if (args_info.lcorr_given) {
128 +    int order;
129 +    if (args_info.order_given)
130 +        order = args_info.order_arg;
131 +    else {
132 +      sprintf( painCave.errMsg,
133 +               "--order must be set if --lcoor is set\n");
134 +      painCave.severity = OOPSE_ERROR;
135 +      painCave.isFatal = 1;
136 +      simError();
137 +    }
138 +        
139 +    corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order);
140    }
141  
142    if (args_info.output_given) {

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