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-rw-r--r--plip/test/test_water_bridges.py20
1 files changed, 0 insertions, 20 deletions
diff --git a/plip/test/test_water_bridges.py b/plip/test/test_water_bridges.py
deleted file mode 100644
index 24bf128..0000000
--- a/plip/test/test_water_bridges.py
+++ /dev/null
@@ -1,20 +0,0 @@
-import unittest
-
-from plip.structure.preparation import PDBComplex, PLInteraction
-
-
-def characterize_complex(pdb_file: str, binding_site_id: str) -> PLInteraction:
- pdb_complex = PDBComplex()
- pdb_complex.load_pdb(pdb_file)
- for ligand in pdb_complex.ligands:
- if ':'.join([ligand.hetid, ligand.chain, str(ligand.position)]) == binding_site_id:
- pdb_complex.characterize_complex(ligand)
- return pdb_complex.interaction_sets[binding_site_id]
-
-
-class WaterBridgeTest(unittest.TestCase):
-
- def test_3ems(self):
- interactions = characterize_complex('./pdb/3ems.pdb', 'ARG:A:131')
- water_bridges = interactions.water_bridges
- self.assertEqual(len(water_bridges), 4)