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Expose basinThresh to the python layer (#8283)
* expose basinThresh to the python layer * docs: add the line about client code * docs: remove warning
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committed by
greg landrum
parent
d1204b4175
commit
187194a5d9
@@ -509,6 +509,8 @@ BOOST_PYTHON_MODULE(rdDistGeom) {
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.def_readwrite("optimizerForceTol", &PyEmbedParameters::optimizerForceTol,
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"the tolerance to be used during the distance-geometry "
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"force field minimization")
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.def_readwrite("basinThresh", &PyEmbedParameters::basinThresh,
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"set the basin threshold for the DGeom force field.")
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.def_readwrite("ignoreSmoothingFailures",
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&PyEmbedParameters::ignoreSmoothingFailures,
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"try and embed the molecule if if triangle smoothing of "
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