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Verified Commit e04275f7 authored by Xavier Robin's avatar Xavier Robin
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test: SCHWED-5783 speedup test

parent 7d956e81
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......@@ -267,14 +267,17 @@ class TestLigandScoring(unittest.TestCase):
"""Test check_resname argument works
"""
# 4C0A has mismatching sequence and fails with check_resnames=True
trg, trg_seqres = io.LoadMMCIF(os.path.join('testfiles', "1r8q.cif.gz"), seqres=True)
mdl_1r8q, _ = io.LoadMMCIF(os.path.join('testfiles', "1r8q.cif.gz"), seqres=True)
trg_4c0a, _ = io.LoadMMCIF(os.path.join('testfiles', "4c0a.cif.gz"), seqres=True)
mdl = mdl_1r8q.Select("cname=D or cname=F")
trg = trg_4c0a.Select("cname=C or cname=I")
with self.assertRaises(RuntimeError):
sc = LigandScorer(trg, trg_4c0a, None, None, check_resnames=True)
sc = LigandScorer(mdl, trg, [mdl.FindResidue("F", 1)], [trg.FindResidue("I", 1)], check_resnames=True)
sc._compute_scores()
sc = LigandScorer(trg, trg_4c0a, None, None, check_resnames=False)
sc = LigandScorer(mdl, trg, [mdl.FindResidue("F", 1)], [trg.FindResidue("I", 1)], check_resnames=False)
sc._compute_scores()
......
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