From 828c39281a1557f79c7406e6d6cfe22cfdd66b01 Mon Sep 17 00:00:00 2001 From: Jochem Nelen Date: Thu, 22 Jan 2026 12:08:35 +0000 Subject: [PATCH 1/2] Download Fragalysis data when running pytest --- tests/config.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/config.py b/tests/config.py index 354c526..7f95b7b 100644 --- a/tests/config.py +++ b/tests/config.py @@ -18,7 +18,7 @@ ## CONFIGURE TESTS CLEANUP = True -DOWNLOAD = False +DOWNLOAD = True SETUP = True ADD_HITS = True SCAFFOLDS = True From bf4985cb6b0ec29fa260acec3ff526abf82f0bde Mon Sep 17 00:00:00 2001 From: Jochem Nelen Date: Thu, 22 Jan 2026 12:25:23 +0000 Subject: [PATCH 2/2] Implemented fix to ensure the correct ref_pdbs are exported, as suggested by @laurenreid1 as discussed in issue #249 --- hippo/animal.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/hippo/animal.py b/hippo/animal.py index c5a7fde..d2edfd5 100644 --- a/hippo/animal.py +++ b/hippo/animal.py @@ -848,14 +848,14 @@ def load_sdf( ref_str = row.get(reference_col) if ref_str: try: - reference = int(ref_str) + row_reference = int(ref_str) except ValueError: - reference = inspiration_map[ref_str] + row_reference = inspiration_map[ref_str] else: - reference = None + row_reference = None elif isinstance(reference, Pose): - reference = reference.id + row_reference = reference.id # metadata metadata = {} @@ -906,7 +906,7 @@ def load_sdf( path=pose_path, metadata=metadata, inspiration_ids=inspiration_list, - reference_id=reference, + reference_id=row_reference, mol=mol, inchikey=inchikey, smiles=smiles,