removed downloaded plip

1 files changed, 0 insertions, 42 deletions

diff --git a/plip/test/test_hydrogen_bonds.py b/plip/test/test_hydrogen_bonds.py
deleted file mode 100644
index f673c6e..0000000
--- a/plip/test/test_hydrogen_bonds.py
+++ /dev/null
@@ -1,42 +0,0 @@
-import unittest
-
-from plip.basic import config
-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 HydrogenBondTestCase(unittest.TestCase):
-    def test_4dst_nondeterministic_protonation(self):
-        config.NOHYDRO = False
-        for i in range(0, 10):
-            interactions = characterize_complex("./pdb/4dst.pdb", "GCP:A:202")
-            all_hbonds = interactions.hbonds_ldon + interactions.hbonds_pdon
-            self.assertTrue(len(all_hbonds) == 16 or len(all_hbonds) == 17)
-
-    def test_4dst_deterministic_protonation(self):
-        config.NOHYDRO = True
-        for i in range(0, 10):
-            interactions = characterize_complex(
-                "./pdb/4dst_protonated.pdb", "GCP:A:202"
-            )
-            all_hbonds = interactions.hbonds_ldon + interactions.hbonds_pdon
-            self.assertTrue(len(all_hbonds) == 16)
-
-    def test_no_protonation(self):
-        config.NOHYDRO = True
-        interactions1 = characterize_complex("./pdb/1x0n_state_1.pdb", "DTF:A:174")
-        self.assertEqual(len(interactions1.hbonds_ldon), 0)
-        config.NOHYDRO = False
-        interactions2 = characterize_complex("./pdb/1x0n_state_1.pdb", "DTF:A:174")
-        self.assertEqual(len(interactions2.hbonds_ldon), 1)