--- trunk/src/applications/staticProps/StaticProps.cpp 2007/04/11 23:27:20 1128 +++ trunk/src/applications/staticProps/StaticProps.cpp 2007/09/17 20:05:51 1180 @@ -62,6 +62,8 @@ #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 @@ -227,6 +229,17 @@ int main(int argc, char* argv[]){ 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(); + } } else if (args_info.scd_given) { if (batchMode) { analyser = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg, @@ -256,6 +269,8 @@ int main(int argc, char* argv[]){ painCave.isFatal = 1; simError(); } + }else if (args_info.hullvol_given) { + analyser = new NanoVolume(info, dumpFileName, sele1); } if (args_info.output_given) {