Add method GetRwHistory to lsq - #107
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LGTM Can merge when it is passing tests. btw @clemisch it has picked up a conflict along the way. |
turns internal std::vector<REAL> into Python list
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Thanks Simon, I fixed the conflict. I think the tests will work only after objcryst has a new release? |
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@clemisch please ping me to merge this when objcryst goes out and this passes. |
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Exposes new Rw history in LSQ object to Python via
lsq.GetRwHistory().Requires vincefn/objcryst#90 .
Rw history is stored in internal vector over one call of
lsq.Refine(). It's in "fractional" units ∈ [0, 1], not in percent. That's just because objcryst seems to handle mostly fractional Rw internally. We could change the user-facing value to Rwp.