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removed multi file lammps test to be addressed in another issue
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jrudz committed Nov 7, 2023
1 parent cf0270a commit 50d8a69
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions tests/test_lammpsparser.py
Original file line number Diff line number Diff line change
Expand Up @@ -128,15 +128,15 @@ def test_unwrapped_pos(parser):
assert sec_systems[1].atoms.positions[452][2].magnitude == approx(5.99898) # JFR - units are incorrect?!
assert sec_systems[2].atoms.velocities[457][-2].magnitude == approx(-0.928553) # JFR - velocities are not being read!!


def test_multiple_dump(parser):
archive = EntryArchive()
parser.parse('tests/data/lammps/2_xyz_files/log.lammps', archive, None)

sec_systems = archive.run[0].system
assert len(sec_systems) == 101
assert sec_systems[2].atoms.positions[468][0].magnitude == approx(3.00831)
assert sec_systems[-1].atoms.velocities[72][1].magnitude == approx(-4.61496) # JFR - universe cannot be built without positions
# TODO Fix dealing with multiple output files with archive_to_universe function, then add back in this test
# def test_multiple_dump(parser):
# archive = EntryArchive()
# parser.parse('tests/data/lammps/2_xyz_files/log.lammps', archive, None)

# sec_systems = archive.run[0].system
# assert len(sec_systems) == 101
# assert sec_systems[2].atoms.positions[468][0].magnitude == approx(3.00831)
# assert sec_systems[-1].atoms.velocities[72][1].magnitude == approx(-4.61496) # JFR - universe cannot be built without positions


def test_md_atomsgroup(parser):
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