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import json
class CLICommand:
"""Get calculations from NOMAD and write to JSON files.
...
"""
@staticmethod
def add_arguments(p):
p.add_argument('uri', nargs='+', metavar='nmd://<hash>',
help='URIs to get')
@staticmethod
def run(args):
from ase.nomad import download
for uri in args.uri:
calculation = download(uri)
identifier = calculation.hash.replace('/', '.')
fname = 'nmd.{}.nomad-json'.format(identifier)
with open(fname, 'w') as fd:
json.dump(calculation, fd)
print(uri)
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