From a8b0632b5f05d6cf24bebcda2ca63cfcc0d981a4 Mon Sep 17 00:00:00 2001 From: romainsacchi Date: Sat, 7 Oct 2023 21:27:24 +0200 Subject: [PATCH] Fix formatting of string for SDF export. --- unfold/unfold.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/unfold/unfold.py b/unfold/unfold.py index 6d13aa4..6ac07c6 100644 --- a/unfold/unfold.py +++ b/unfold/unfold.py @@ -1224,7 +1224,10 @@ def write(self, superstructure: bool = False, export_dir: str = None): else: source_db = {"name": "unknown", "version": "unknown"} - filename = f"SDF {source_db['name']} {source_db['version']} {self.name or self.package.descriptor['name']}.csv" + if self.name: + filename = f"SDF {source_db['name']} {self.name}.csv" + else: + filename = f"SDF {source_db['name']} {source_db['version']} {self.package.descriptor['name']}.csv" if export_dir is None: export_dir = os.getcwd()