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# fmt: off
# Note:
# Try to avoid module level import statements here to reduce
# import time during CLI execution
class CLICommand:
"""Manipulate and query ASE database.
Query is a comma-separated list of
selections where each selection is of the type "ID", "key" or
"key=value". Instead of "=", one can also use "<", "<=", ">=", ">"
and "!=" (these must be protected from the shell by using quotes).
Special keys:
* id
* user
* calculator
* age
* natoms
* energy
* magmom
* charge
Chemical symbols can also be used to select number of
specific atomic species (H, He, Li, ...). Selection examples:
calculator=nwchem
age<1d
natoms=1
user=alice
2.2<bandgap<4.1
Cu>=10
See also: https://ase-lib.org/ase/db/db.html.
"""
@staticmethod
def add_arguments(parser):
add = parser.add_argument
add('database', help='SQLite3 file, JSON file or postgres URL.')
add('query', nargs='*', help='Query string.')
add('-v', '--verbose', action='store_true', help='More output.')
add('-q', '--quiet', action='store_true', help='Less output.')
add('-n', '--count', action='store_true',
help='Count number of selected rows.')
add('-l', '--long', action='store_true',
help='Long description of selected row')
add('-i', '--insert-into', metavar='db-name',
help='Insert selected rows into another database.')
add('-a', '--add-from-file', metavar='filename',
help='Add configuration(s) from file. '
'If the file contains more than one configuration then you can '
'use the syntax filename@: to add all of them. Default is to '
'only add the last.')
add('-k', '--add-key-value-pairs', metavar='key1=val1,key2=val2,...',
help='Add key-value pairs to selected rows. Values must '
'be numbers or strings and keys must follow the same rules as '
'keywords.')
add('-L', '--limit', type=int, default=-1, metavar='N',
help='Show only first N rows. Use --limit=0 '
'to show all. Default is 20 rows when listing rows and no '
'limit when --insert-into is used.')
add('--offset', type=int, default=0, metavar='N',
help='Skip first N rows. By default, no rows are skipped')
add('--delete', action='store_true',
help='Delete selected rows.')
add('--delete-keys', metavar='key1,key2,...',
help='Delete keys for selected rows.')
add('-y', '--yes', action='store_true',
help='Say yes.')
add('--explain', action='store_true',
help='Explain query plan.')
add('-c', '--columns', metavar='col1,col2,...',
help='Specify columns to show. Precede the column specification '
'with a "+" in order to add columns to the default set of '
'columns. Precede by a "-" to remove columns. Use "++" for all.')
add('-s', '--sort', metavar='column', default='id',
help='Sort rows using "column". Use "column-" for a descending '
'sort. Default is to sort after id.')
add('--cut', type=int, default=35, help='Cut keywords and key-value '
'columns after CUT characters. Use --cut=0 to disable cutting. '
'Default is 35 characters')
add('-p', '--plot', metavar='x,y1,y2,...',
help='Example: "-p x,y": plot y row against x row. Use '
'"-p a:x,y" to make a plot for each value of a.')
add('--csv', action='store_true',
help='Write comma-separated-values file.')
add('-w', '--open-web-browser', action='store_true',
help='Open results in web-browser.')
add('--no-lock-file', action='store_true', help="Don't use lock-files")
add('--analyse', action='store_true',
help='Gathers statistics about tables and indices to help make '
'better query planning choices.')
add('-j', '--json', action='store_true',
help='Write json representation of selected row.')
add('-m', '--show-metadata', action='store_true',
help='Show metadata as json.')
add('--set-metadata', metavar='something.json',
help='Set metadata from a json file.')
add('--strip-data', action='store_true',
help='Strip data when using --insert-into.')
add('--progress-bar', action='store_true',
help='Show a progress bar when using --insert-into.')
add('--show-keys', action='store_true',
help='Show all keys.')
add('--show-values', metavar='key1,key2,...',
help='Show values for key(s).')
@staticmethod
def run(args):
from ase.db.cli import main
main(args)
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