def run(args): if not args.filename: print_info() if args.formats: print() print_formats() return n = max(len(filename) for filename in args.filename) + 2 for filename in args.filename: try: format = filetype(filename) except FileNotFoundError: format = '?' description = 'No such file' except UnknownFileTypeError: format = '?' description = '?' else: description, code = all_formats.get(format, ('?', '?')) print('{:{}}{} ({})'.format(filename + ':', n, description, format)) if args.verbose: if format == 'traj': print_ulm_info(filename) elif format == 'bundletrajectory': print_bundletrajectory_info(filename)
def run(args): if not args.filenames: print_info() return n = max(len(filename) for filename in args.filenames) + 2 for filename in args.filenames: try: format = filetype(filename) except FileNotFoundError: format = '?' description = 'No such file' else: if format and format in all_formats: description, code = all_formats[format] else: format = '?' description = '?' print('{:{}}{} ({})'.format(filename + ':', n, description, format)) if args.verbose: if format == 'traj': print_ulm_info(filename) elif format == 'bundletrajectory': print_bundletrajectory_info(filename)
def run(args): if not args.filenames: print_info() return n = max(len(filename) for filename in args.filenames) + 2 for filename in args.filenames: try: format = filetype(filename) except FileNotFoundError: format = '?' description = 'No such file' else: if format and format in all_formats: description, code = all_formats[format] else: format = '?' description = '?' print('{:{}}{} ({})'.format(filename + ':', n, description, format)) if args.verbose: if format == 'traj': print_ulm_info(filename) elif format == 'bundletrajectory': print_bundletrajectory_info(filename)
def run(args): if not args.filename: print_info() if args.formats: print() print_formats() if args.calculators: print() from ase.calculators.autodetect import (detect_calculators, format_configs) configs = detect_calculators() print('Calculators:') for message in format_configs(configs): print(' {}'.format(message)) print() print('Available: {}'.format(','.join(sorted(configs)))) return n = max(len(filename) for filename in args.filename) + 2 nfiles_not_found = 0 for filename in args.filename: 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 main(): p = OptionParser(usage='%prog file.traj [file2.traj ...]', description=description) opts, args = p.parse_args() if len(args) == 0: p.error('Incorrect number of arguments') for f in args: ft = filetype(f) print("File type of '{0}' appears to be of type '{1}'".format(f, ft)) if ft == 'traj': print_ulm_info(f) elif ft == 'trj': print_trajectory_info(f) elif ft == 'bundletrajectory': print_bundletrajectory_info(f) else: p.error( '%s is of type %s; cannot print info about this type of file' % (f, ft))