IPKM/python-store
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Replaced is and is not

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sebastiankloth
2022-04-11 15:38:09 +02:00
parent 4fb80d9d44
commit f643edd405
3 changed files with 5 additions and 5 deletions
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2
store/eval.py
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@ -34,7 +34,7 @@ def locate(fname, namespace=''):
def open_sim(directory, maxcache=None):
tr = None
if len(glob(os.path.join(directory, 'nojump.xtc'))) is 1:
if len(glob(os.path.join(directory, 'nojump.xtc'))) == 1:
tr = md.open(directory, trajectory='nojump.xtc', cached=maxcache, reindex=True)
else:
tr = md.open(directory, trajectory='out/*.xtc', cached=maxcache, reindex=True, nojump=True)