From 9626b00d21c5abd54d5e4f2f6317dfa916461393 Mon Sep 17 00:00:00 2001 From: Kevin Maik Jablonka Date: Mon, 25 Sep 2023 16:51:09 +0200 Subject: [PATCH] fix: if systre call fails, featurization should still work --- src/mofdscribe/featurizers/text/mofdscriber.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/mofdscribe/featurizers/text/mofdscriber.py b/src/mofdscribe/featurizers/text/mofdscriber.py index f39c056a..1aecd966 100644 --- a/src/mofdscribe/featurizers/text/mofdscriber.py +++ b/src/mofdscribe/featurizers/text/mofdscriber.py @@ -75,6 +75,8 @@ def _get_bb_description(self, structure: Structure, structure_graph: StructureGr rcsr_code = fragments.net_embedding.rcsr_code if rcsr_code and len(rcsr_code) > 1: rcsr_string = "RCSR code: {}. ".format(rcsr_code) + else: + rcsr_string = "" output_string = "" if self.incorporate_smiles: