def test_rebuild_multichain_missing(self):
"""Convert multichain missing atom struct to, from internal coords."""
# 2XHE has regions of missing chain, last residue has only N
r = structure_rebuild_test(self.pdb_2XHE, False)
self.assertEqual(r["residues"], 787)
self.assertEqual(r["rCount"], 835)
self.assertEqual(r["rMatchCount"], 835)
self.assertEqual(r["aCount"], 6267)
self.assertEqual(r["disAtmCount"], 0)
self.assertEqual(r["aCoordMatchCount"], 6267)
self.assertEqual(len(r["chains"]), 2)
self.assertTrue(r["pass"])
def test_rebuild_disordered_atoms_residues(self):
"""Convert disordered protein to internal coordinates and back."""
# 3jqh has both disordered residues
# and disordered atoms in ordered residues
with warnings.catch_warnings(record=True):
warnings.simplefilter("always", PDBConstructionWarning)
r = structure_rebuild_test(self.cif_3JQH, False)
# print(r)
self.assertEqual(r["residues"], 26)
self.assertEqual(r["rCount"], 47)
self.assertEqual(r["rMatchCount"], 47)
self.assertEqual(r["aCount"], 217)
self.assertEqual(r["disAtmCount"], 50)
self.assertEqual(r["aCoordMatchCount"], 217)
self.assertEqual(len(r["chains"]), 1)
self.assertTrue(r["pass"])