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# Copyright 2017 by Francesco Gastaldello. All rights reserved.
#
# Converted by Francesco Gastaldello from an older unit test copyright 2004
# by Thomas Hamelryck.
#
# This file is part of the Biopython distribution and governed by your
# choice of the "Biopython License Agreement" or the "BSD 3-Clause License".
# Please see the LICENSE file that should have been included as part of this
# package.
"""Unit tests for the Bio.PDB.StructureAlignment module."""
import unittest
from Bio.PDB import StructureAlignment
from Bio.PDB import PDBParser
from Bio import AlignIO
class StructureAlignTests(unittest.TestCase):
"""Test module StructureAlignment."""
def test_StructAlign(self):
"""Tests on module to align two proteins according to a FASTA alignment file."""
al_file = "PDB/alignment_file.fa"
pdb2 = "PDB/1A8O.pdb"
pdb1 = "PDB/2XHE.pdb"
with open(al_file, 'r') as handle:
records = AlignIO.read(handle, "fasta")
p = PDBParser()
s1 = p.get_structure('1', pdb1)
p = PDBParser()
s2 = p.get_structure('2', pdb2)
m1 = s1[0]
m2 = s2[0]
al = StructureAlignment(records, m1, m2)
self.assertFalse(al.map12 == al.map21)
self.assertTrue(len(al.map12), 566)
self.assertTrue(len(al.map21), 70)
chain1_A = m1["A"]
chain2_A = m2["A"]
self.assertEqual(chain1_A[202].get_resname(), 'ILE')
self.assertEqual(chain2_A[202].get_resname(), 'LEU')
self.assertEqual(chain1_A[291].get_resname(), chain2_A[180].get_resname())
self.assertNotEqual(chain1_A[291].get_resname(), chain2_A[181].get_resname())
if __name__ == '__main__':
runner = unittest.TextTestRunner(verbosity=2)
unittest.main(testRunner=runner)
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