--- trunk/src/applications/staticProps/StaticProps.cpp 2006/09/19 21:14:11 1039 +++ trunk/src/applications/staticProps/StaticProps.cpp 2006/09/25 22:08:33 1051 @@ -163,6 +163,7 @@ int main(int argc, char* argv[]){ //parse md file and set up the system SimCreator creator; + std::cout << "dumpFile = " << dumpFileName << "\n"; SimInfo* info = creator.createSim(dumpFileName); RealType maxLen; @@ -175,16 +176,21 @@ int main(int argc, char* argv[]){ StaticAnalyser* analyser; if (args_info.gofr_given){ - analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); + analyser= new GofR(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.nrbins_arg, args_info.nanglebins_arg); + 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.nrbins_arg, args_info.nanglebins_arg); + 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); + 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,args_info.refsele_arg, maxLen, args_info.nrbins_arg); + analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, + maxLen, args_info.nbins_arg); } else { sprintf( painCave.errMsg, "--refsele must set when --gxyz is used"); @@ -200,7 +206,8 @@ int main(int argc, char* argv[]){ if (args_info.rcut_given && args_info.LegendreL_given) { analyser = new BondOrderParameter(info, dumpFileName, sele1, args_info.rcut_arg, - args_info.LegendreL_arg); + args_info.LegendreL_arg, + args_info.nbins_arg); } else { sprintf( painCave.errMsg, "Both the cutoff radius (rcut) and LegendreL must be specified when calculating Bond Order Parameters"); @@ -217,13 +224,15 @@ int main(int argc, char* argv[]){ analyser = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3); } }else if (args_info.density_given) { - analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg); + analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, + args_info.nbins_arg); } else if (args_info.slab_density_given) { Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat(); - analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nrbins_arg); + analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nbins_arg); #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H) }else if (args_info.hxy_given) { - analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nrbins_arg); + analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, + args_info.nbins_y_arg, args_info.nbins_arg); #endif }