--- trunk/src/applications/staticProps/StaticProps.cpp 2014/08/13 20:42:43 2015 +++ trunk/src/applications/staticProps/StaticProps.cpp 2014/10/02 14:35:14 2023 @@ -98,6 +98,7 @@ int main(int argc, char* argv[]){ std::string dumpFileName = args_info.input_arg; std::string sele1; std::string sele2; + std::string sele3; // check the first selection argument, or set it to the environment // variable, or failing that, set it to "select all" @@ -129,6 +130,11 @@ int main(int argc, char* argv[]){ } } + // check the third selection argument, which is only set if + // requested by the user + + if (args_info.sele3_given) sele3 = args_info.sele3_arg; + bool batchMode; if (args_info.scd_given){ if (args_info.sele1_given && @@ -184,14 +190,27 @@ int main(int argc, char* argv[]){ analyser = new GofRZ(info, dumpFileName, sele1, sele2, maxLen, zmaxLen, args_info.nbins_arg, args_info.nbins_z_arg); } else if (args_info.r_theta_given) { - analyser = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, - args_info.nbins_arg, args_info.nanglebins_arg); + if (args_info.sele3_given) + analyser = new GofRTheta(info, dumpFileName, sele1, sele2, sele3, maxLen, + args_info.nbins_arg, args_info.nanglebins_arg); + else + analyser = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, + args_info.nbins_arg, args_info.nanglebins_arg); } else if (args_info.r_omega_given) { - analyser = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, - args_info.nbins_arg, args_info.nanglebins_arg); + if (args_info.sele3_given) + analyser = new GofROmega(info, dumpFileName, sele1, sele2, sele3, maxLen, + args_info.nbins_arg, args_info.nanglebins_arg); + else + analyser = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, + args_info.nbins_arg, args_info.nanglebins_arg); + } else if (args_info.theta_omega_given) { - analyser = new GofAngle2(info, dumpFileName, sele1, sele2, - args_info.nanglebins_arg); + if (args_info.sele3_given) + analyser = new GofAngle2(info, dumpFileName, sele1, sele2, sele3, + args_info.nanglebins_arg); + else + analyser = new GofAngle2(info, dumpFileName, sele1, sele2, + args_info.nanglebins_arg); } else if (args_info.gxyz_given) { if (args_info.refsele_given) { analyser= new GofXyz(info, dumpFileName, sele1, sele2, @@ -342,7 +361,6 @@ int main(int argc, char* argv[]){ args_info.molname_arg, args_info.begin_arg, args_info.end_arg); } else{ - std::string sele3 = args_info.sele3_arg; analyser = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3); }