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Better sanity checks in ConvertProjectToHDF.py

Open schwancr opened this issue 11 years ago • 3 comments

We have the machinery set up to do this (validators), but I don't think the script actually uses any of it!

This would have prevented issue #309

schwancr avatar Jan 30 '14 20:01 schwancr

I think this isn't too hard, but it does require us to preselect a reasonable distance or RMSD cutoff heuristic. The challenge here is that discarding data without justification (or warning) is an equally poor outcome.

kyleabeauchamp avatar Jan 30 '14 22:01 kyleabeauchamp

I think we can at least check for the really obvious things, like NaN's and infinities

schwancr avatar Jan 30 '14 22:01 schwancr

Yeah, good point we can do that always.

kyleabeauchamp avatar Jan 30 '14 22:01 kyleabeauchamp