fix: if systre call fails, featurization should still work

kjappelbaum · Sep 25, 2023 · 9626b00 · 9626b00
1 parent 29ee1e0
commit 9626b00
Showing 1 changed file with 2 additions and 0 deletions.
diff --git 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: