Merge pull request #51 from molssi-seamm/dev

Fixed crash due to multiple slashes in titles.
molssi-seamm · Nov 16, 2023 · ca03a31 · ca03a31
2 parents 53fce0a + 7a7b7c0
commit ca03a31
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diff --git a/HISTORY.rst b/HISTORY.rst
@@ -1,6 +1,10 @@
 =======
 History
 =======
+2023.11.16 -- Bugfix: titles in SDF files
+  * Crashed reading some SDF files write by SEAMM due to the system and configuration
+    names encoded in the title having multiple slashes (/).
+
 2023.11.5 -- Added writers for CIF and mmCIF.
 
 2023.11.2 -- Initial changes to structure handling

diff --git a/read_structure_step/formats/sdf/sdf.py b/read_structure_step/formats/sdf/sdf.py
@@ -200,7 +200,7 @@ def load_sdf(
             if "SEAMM=" in title:
                 for tmp in title.split("|"):
                     if "SEAMM=" in tmp and "/" in tmp:
-                        sysname, confname = tmp.split("=", 1)[1].split("/")
+                        sysname, confname = tmp.split("=", 1)[1].split("/", 1)
                         sysname = sysname.strip()
                         confname = confname.strip()
                         have_sysname = True