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Remove ParmEd Timestep writing "support" #3240

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Merged
lilyminium merged 4 commits into from
Apr 26, 2021
Merged

Remove ParmEd Timestep writing "support" #3240

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5ab9a39
rm ParmEd ts
lilyminium Apr 23, 2021
8b715ee
emoji in py3?
lilyminium Apr 23, 2021
6fa0afc
rm timestep check
lilyminium Apr 23, 2021
a3d28d0
Revert "emoji in py3?"
lilyminium Apr 23, 2021
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5 changes: 1 addition & 4 deletions package/MDAnalysis/coordinates/ParmEd.py
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Original file line number Diff line number Diff line change
Expand Up @@ -172,10 +172,7 @@ def convert(self, obj):
# make sure to use atoms (Issue 46)
ag_or_ts = obj.atoms
except AttributeError:
if isinstance(obj, base.Timestep):
ag_or_ts = obj.copy()
else:
raise_from(TypeError("No Timestep found in obj argument"), None)
raise TypeError("No atoms found in obj argument") from None

# Check for topology information
missing_topology = []
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6 changes: 6 additions & 0 deletions testsuite/MDAnalysisTests/coordinates/test_parmed.py
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Expand Up @@ -29,6 +29,7 @@

from MDAnalysisTests.coordinates.base import _SingleFrameReader
from MDAnalysisTests.coordinates.reference import RefAdKSmall
from MDAnalysis.coordinates.ParmEd import ParmEdConverter

from MDAnalysisTests.datafiles import (
GRO,
Expand Down Expand Up @@ -286,3 +287,8 @@ class TestParmEdConverterPDB(BaseTestParmEdConverter):
def test_equivalent_coordinates(self, ref, output):
assert_almost_equal(ref.coordinates, output.coordinates, decimal=3)

def test_incorrect_object_passed_typeerror():
err = "No atoms found in obj argument"
with pytest.raises(TypeError, match=err):
c = ParmEdConverter()
c.convert("we still don't support emojis :(")
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@IAlibay IAlibay Apr 23, 2021

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Do we not? I thought py3+ was UTF-8 compliant?