From 9dadfdb3332b073aaff508d126e90200ad09868d Mon Sep 17 00:00:00 2001 From: Navan Chauhan Date: Fri, 11 Sep 2020 16:18:38 +0530 Subject: removed downloaded plip --- plip/test/test_pi_stacking.py | 25 ------------------------- 1 file changed, 25 deletions(-) delete mode 100644 plip/test/test_pi_stacking.py (limited to 'plip/test/test_pi_stacking.py') diff --git a/plip/test/test_pi_stacking.py b/plip/test/test_pi_stacking.py deleted file mode 100644 index bb560a3..0000000 --- a/plip/test/test_pi_stacking.py +++ /dev/null @@ -1,25 +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 RingDetectionTest(unittest.TestCase): - - def test_consistent_ring_detection(self): - config.NOHYDRO = True - angles = set() - for i in range(0, 10): - interactions = characterize_complex('./pdb/4dst_protonated.pdb', 'GCP:A:202') - angles.add(interactions.pistacking[0].angle) - self.assertTrue(len(angles) == 1) - config.NOHYDRO = False -- cgit v1.2.3