--- trunk/src/applications/staticProps/SpatialStatistics.cpp 2013/06/18 17:48:52 1887 +++ trunk/src/applications/staticProps/SpatialStatistics.cpp 2013/11/07 16:42:46 1945 @@ -354,6 +354,16 @@ namespace OpenMD { SpatialStatistics(info, filename, sele, nbins), coordinateOrigin_(V3Zero) { binWidth_ = 1.0; + + Globals* simParams = info->getSimParams(); + RNEMDParameters* rnemdParams = simParams->getRNEMDParameters(); + bool hasCoordinateOrigin = rnemdParams->haveCoordinateOrigin(); + + if (hasCoordinateOrigin) { + coordinateOrigin_ = rnemdParams->getCoordinateOrigin(); + } else { + coordinateOrigin_ = V3Zero; + } r_ = new OutputData; r_->units = "Angstroms"; @@ -374,7 +384,7 @@ namespace OpenMD { ShellStatistics::~ShellStatistics() { } - int ShellStatistics::getBin(Vector3d pos) { + int ShellStatistics::getBin(Vector3d pos) { Vector3d rPos = pos - coordinateOrigin_; return int(rPos.length() / binWidth_); }