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add ./issues/test_issue876_pdb_PBC.py #878

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Merged
hainm merged 1 commit into from
Oct 5, 2015
Merged

add ./issues/test_issue876_pdb_PBC.py #878

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18 changes: 18 additions & 0 deletions tests/issues/test_issue876_pdb_PBC.py
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Original file line number Diff line number Diff line change
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#!/usr/bin/env python
from __future__ import print_function
import unittest
import pytraj as pt
from pytraj.utils import eq, aa_eq


class TestPBCFromPDB(unittest.TestCase):
def test_pbc(self):
traj = pt.load('data/small_pbc.pdb')
pt._verbose()
aa_eq(traj.unitcells[0], [51.263, 51.263, 51.263, 90.00, 90.00, 90.00])
assert traj.top.has_box() == True, 'Topology must has box'
assert traj.top.box.type == 'ortho', 'must be ortho box'


if __name__ == "__main__":
unittest.main()