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fix typo in SiteStatsFingerprint
max_oxi (maximum site oxidation state for inclusion) argument in SiteStatsFingerprint did not work due to typo in the if-condition.
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  • src/matminer/featurizers/structure

src/matminer/featurizers/structure/sites.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -93,7 +93,7 @@ def featurize(self, s):
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vals = [[] for t in self._site_labels]
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for i, site in enumerate(s.sites):
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if (self.min_oxi is None or site.specie.oxi_state >= self.min_oxi) and (
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self.max_oxi is None or site.specie.oxi_state >= self.max_oxi
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self.max_oxi is None or site.specie.oxi_state <= self.max_oxi
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):
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opvalstmp = self.site_featurizer.featurize(s, i)
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for j, opval in enumerate(opvalstmp):

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