Don't fail set_peek if file does not look like GRO file

2026-09-19 02:21:32 +08:00 · 2024-05-27 10:23:59 +02:00
parent 3cd64e7861
commit 54db4e9a7a
1 changed files with 6 additions and 2 deletions
@@ -1546,8 +1546,12 @@ class GRO(GenericMolFile):
    def set_peek(self, dataset: DatasetProtocol, **kwd) -> None:
        if not dataset.dataset.purged:
            dataset.peek = get_file_peek(dataset.get_file_name())
-            atom_number = int(dataset.peek.split("\n")[1])
-            dataset.blurb = f"{atom_number} atoms"
+            peek_lines = dataset.peek.split("\n")
+            try:
+                atom_number = int(peek_lines[1])
+                dataset.blurb = f"{atom_number} atoms"
+            except (ValueError, IndexError):
+                dataset.blurb = "file does not look like valid GRO file."
        else:
            dataset.peek = "file does not exist"
            dataset.blurb = "file purged from disk"