# | Line 354 | Line 354 | namespace OpenMD { | |
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354 | SpatialStatistics(info, filename, sele, nbins), coordinateOrigin_(V3Zero) { | |
355 | ||
356 | binWidth_ = 1.0; | |
357 | + | |
358 | + | Globals* simParams = info->getSimParams(); |
359 | + | RNEMDParameters* rnemdParams = simParams->getRNEMDParameters(); |
360 | + | bool hasCoordinateOrigin = rnemdParams->haveCoordinateOrigin(); |
361 | + | |
362 | + | if (hasCoordinateOrigin) { |
363 | + | coordinateOrigin_ = rnemdParams->getCoordinateOrigin(); |
364 | + | } else { |
365 | + | coordinateOrigin_ = V3Zero; |
366 | + | } |
367 | ||
368 | r_ = new OutputData; | |
369 | r_->units = "Angstroms"; | |
# | Line 374 | Line 384 | namespace OpenMD { | |
384 | ShellStatistics::~ShellStatistics() { | |
385 | } | |
386 | ||
387 | < | int ShellStatistics::getBin(Vector3d pos) { |
387 | > | int ShellStatistics::getBin(Vector3d pos) { |
388 | Vector3d rPos = pos - coordinateOrigin_; | |
389 | return int(rPos.length() / binWidth_); | |
390 | } |
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