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#include "utils/simError.h" |
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#include "applications/staticProps/StaticPropsCmd.h" |
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#include "applications/staticProps/StaticAnalyser.hpp" |
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#include "applications/staticProps/GofR.hpp" |
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#include "applications/staticProps/GofRAngle.hpp" |
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#include "applications/staticProps/GofAngle2.hpp" |
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#include "applications/staticProps/GofXyz.hpp" |
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#include "applications/staticProps/P2OrderParameter.hpp" |
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|
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using namespace oopse; |
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int main(int argc, char* argv[]){ |
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maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0; |
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} |
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|
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< |
RadialDistrFunc* rdf; |
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> |
StaticAnalyser* analyser; |
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if (args_info.gofr_given){ |
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< |
rdf= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); |
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analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); |
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} else if (args_info.r_theta_given) { |
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< |
rdf = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
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analyser = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
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} else if (args_info.r_omega_given) { |
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rdf = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
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> |
analyser = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg); |
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} else if (args_info.theta_omega_given) { |
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< |
rdf = new GofAngle2(info, dumpFileName, sele1, sele2, args_info.nanglebins_arg); |
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> |
analyser = new GofAngle2(info, dumpFileName, sele1, sele2, args_info.nanglebins_arg); |
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} else if (args_info.gxyz_given) { |
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if (args_info.refsele_given) { |
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< |
rdf= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, maxLen, args_info.nrbins_arg); |
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> |
analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, maxLen, args_info.nrbins_arg); |
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} else { |
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sprintf( painCave.errMsg, |
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"--refsele must set when --gxyz is used"); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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} else if (args_info.p2_given) { |
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analyser = new P2OrderParameter(info, dumpFileName, sele1, sele2); |
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} |
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|
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if (args_info.output_given) { |
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< |
rdf->setOutputName(args_info.output_arg); |
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> |
analyser->setOutputName(args_info.output_arg); |
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} |
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if (args_info.step_given) { |
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< |
rdf->setStep(args_info.step_arg); |
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> |
analyser->setStep(args_info.step_arg); |
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} |
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|
| 157 |
< |
rdf->process(); |
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> |
analyser->process(); |
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|
| 159 |
< |
delete rdf; |
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> |
delete analyser; |
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delete info; |
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|
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return 0; |
