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# fmt: off
# Note:
# Try to avoid module level import statements here to reduce
# import time during CLI execution
class CLICommand:
"""Print information about files or system.
Without arguments, show information about ASE installation
and library versions of dependencies.
"""
@staticmethod
def add_arguments(parser):
parser.add_argument('--files', nargs='*', metavar='PATH',
help='Print information about specified files.')
parser.add_argument('-v', '--verbose', action='store_true',
help='Show additional information about files.')
parser.add_argument('--formats', action='store_true',
help='List file formats known to ASE.')
parser.add_argument('--calculators', nargs='*', metavar='NAME',
help='List all or specified calculators known to '
'ASE and their configuration.')
@staticmethod
def run(args):
if args.calculators is not None:
from ase.codes import codes, list_codes
if args.calculators:
names = args.calculators
else:
names = [*codes]
list_codes(names)
return
if args.files:
print_file_info(args)
return
print_info()
if args.formats:
print()
print_formats()
def print_file_info(args):
from ase.io.bundletrajectory import print_bundletrajectory_info
from ase.io.formats import UnknownFileTypeError, filetype, ioformats
from ase.io.ulm import print_ulm_info
n = max(len(filename) for filename in args.files) + 2
nfiles_not_found = 0
for filename in args.files:
try:
format = filetype(filename)
except FileNotFoundError:
format = '?'
description = 'No such file'
nfiles_not_found += 1
except UnknownFileTypeError:
format = '?'
description = '?'
else:
if format in ioformats:
description = ioformats[format].description
else:
description = '?'
print('{:{}}{} ({})'.format(filename + ':', n,
description, format))
if args.verbose:
if format == 'traj':
print_ulm_info(filename)
elif format == 'bundletrajectory':
print_bundletrajectory_info(filename)
raise SystemExit(nfiles_not_found)
def print_info():
import platform
import sys
from ase.dependencies import all_dependencies
versions = [('platform', platform.platform()),
('python-' + sys.version.split()[0], sys.executable)]
for name, path in versions + all_dependencies():
print(f'{name:24} {path}')
def print_formats():
from ase.io.formats import ioformats
print('Supported formats:')
for fmtname in sorted(ioformats):
fmt = ioformats[fmtname]
infos = [fmt.modes, 'single' if fmt.single else 'multi']
if fmt.isbinary:
infos.append('binary')
if fmt.encoding is not None:
infos.append(fmt.encoding)
infostring = '/'.join(infos)
moreinfo = [infostring]
if fmt.extensions:
moreinfo.append('ext={}'.format('|'.join(fmt.extensions)))
if fmt.globs:
moreinfo.append('glob={}'.format('|'.join(fmt.globs)))
print(' {} [{}]: {}'.format(fmt.name,
', '.join(moreinfo),
fmt.description))
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