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Test chainID PDBQT attribute
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pgbarletta committed Sep 12, 2023
1 parent b682b2a commit 79b0bcf
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6 changes: 6 additions & 0 deletions testsuite/MDAnalysisTests/coordinates/test_pdbqt.py
Original file line number Diff line number Diff line change
Expand Up @@ -44,6 +44,12 @@ def test_segid(self, universe):
sel = universe.select_atoms('segid B')
assert_equal(sel.n_atoms, 896, "failed to select segment B")

def test_chainID(self, universe):
sel = universe.select_atoms('chainID A')
assert_equal(sel.n_atoms, 909, "failed to chainID segment A")
sel = universe.select_atoms('chainID B')
assert_equal(sel.n_atoms, 896, "failed to chainID segment B")

def test_protein(self, universe):
sel = universe.select_atoms('protein')
assert_equal(sel.n_atoms, 1805, "failed to select protein")
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