1 files changed, 20 insertions, 0 deletions
diff --git a/plip/test/test_water_bridges.py b/plip/test/test_water_bridges.py
new file mode 100644
index 0000000..24bf128
--- /dev/null
+++ b/plip/test/test_water_bridges.py
@@ -0,0 +1,20 @@
+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)