Remove unnecessary conversions to numpy arrays (fixes gsd writer issue), remove self.atomistic
from __repr__
method.
#95
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I've been running into a couple issues.
bond_types
list to an array before appending the snapshot to the new gsd file.In
gsd.hoomd
container._decult_value[name]
is an empty list for bonds/angles/dihedrals, anddata
(passed in by grits) was an array of strings, resulting in numpy-related broadcast error.A quick example here:
self.atomistic
is throwing an error only when calling thevisualize()
method. I'm fairly certain this is caused by cloning of the compound which we've added some custom attributes to. I think it's fine to remove this bit of information from the__repr__
method only, the attribute itself is still there, and works when called directly.