--- trunk/src/applications/staticProps/StaticProps.cpp 2006/09/26 01:30:32 1052 +++ trunk/src/applications/staticProps/StaticProps.cpp 2008/01/23 21:21:50 1213 @@ -52,18 +52,23 @@ #include "applications/staticProps/StaticPropsCmd.h" #include "applications/staticProps/StaticAnalyser.hpp" #include "applications/staticProps/GofR.hpp" +#include "applications/staticProps/GofZ.hpp" #include "applications/staticProps/GofRAngle.hpp" #include "applications/staticProps/GofAngle2.hpp" #include "applications/staticProps/GofXyz.hpp" #include "applications/staticProps/P2OrderParameter.hpp" #include "applications/staticProps/BondOrderParameter.hpp" +#include "applications/staticProps/BOPofR.hpp" #include "applications/staticProps/RippleOP.hpp" #include "applications/staticProps/SCDOrderParameter.hpp" #include "applications/staticProps/DensityPlot.hpp" #include "applications/staticProps/RhoZ.hpp" +#include "applications/staticProps/BondAngleDistribution.hpp" +#include "applications/staticProps/NanoVolume.hpp" #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) #include "applications/staticProps/Hxy.hpp" #endif +#include "applications/staticProps/RhoR.hpp" using namespace oopse; @@ -178,6 +183,9 @@ int main(int argc, char* argv[]){ if (args_info.gofr_given){ analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nbins_arg); + } else if (args_info.gofz_given) { + analyser= new GofZ(info, dumpFileName, sele1, sele2, maxLen, + args_info.nbins_arg); } else if (args_info.r_theta_given) { analyser = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nbins_arg, args_info.nanglebins_arg); @@ -210,6 +218,28 @@ int main(int argc, char* argv[]){ } else { sprintf( painCave.errMsg, "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters"); + painCave.severity = OOPSE_ERROR; + painCave.isFatal = 1; + simError(); + } + } else if (args_info.bor_given){ + if (args_info.rcut_given) { + analyser = new BOPofR(info, dumpFileName, sele1, args_info.rcut_arg, + args_info.nbins_arg, maxLen); + } else { + sprintf( painCave.errMsg, + "A cutoff radius (rcut) must be specified when calculating Bond Order Parameters"); + painCave.severity = OOPSE_ERROR; + painCave.isFatal = 1; + simError(); + } + } else if (args_info.bad_given){ + if (args_info.rcut_given) { + analyser = new BondAngleDistribution(info, dumpFileName, sele1, args_info.rcut_arg, + args_info.nbins_arg); + } else { + sprintf( painCave.errMsg, + "A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions"); painCave.severity = OOPSE_ERROR; painCave.isFatal = 1; simError(); @@ -233,6 +263,18 @@ int main(int argc, char* argv[]){ analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nbins_arg); #endif + }else if (args_info.rho_r_given) { + if (args_info.radius_given){ + analyser = new RhoR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg,args_info.radius_arg); + }else{ + sprintf( painCave.errMsg, + "A particle radius (radius) must be specified when calculating Rho(r)"); + painCave.severity = OOPSE_ERROR; + painCave.isFatal = 1; + simError(); + } + }else if (args_info.hullvol_given) { + analyser = new NanoVolume(info, dumpFileName, sele1); } if (args_info.output_given) {