schrodinger.utils.compare module

This is a postprocessor for the ‘diff’ command. It hides differences if they just represent numerical differences below some cutoff. It also ignores lines matching particular regular expressions, specified in the file ‘skip_lines’.

class schrodinger.utils.compare.DiffCompareArgumentParser(prog=None, usage=None, description=None, epilog=None, parents=[], formatter_class=<class 'argparse.HelpFormatter'>, prefix_chars='-', fromfile_prefix_chars=None, argument_default=None, conflict_handler='error', add_help=True, allow_abbrev=True)

Bases: argparse.ArgumentParser

exit(status=0, message=None)
__init__(prog=None, usage=None, description=None, epilog=None, parents=[], formatter_class=<class 'argparse.HelpFormatter'>, prefix_chars='-', fromfile_prefix_chars=None, argument_default=None, conflict_handler='error', add_help=True, allow_abbrev=True)
add_argument(dest, ..., name=value, ...)
add_argument(option_string, option_string, ..., name=value, ...) None
add_argument_group(*args, **kwargs)
add_mutually_exclusive_group(**kwargs)
add_subparsers(**kwargs)
convert_arg_line_to_args(arg_line)
error(message: string)

Prints a usage message incorporating the message to stderr and exits.

If you override this in a subclass, it should not return – it should either exit or raise an exception.

format_help()
format_usage()
get_default(dest)
parse_args(args=None, namespace=None)
parse_intermixed_args(args=None, namespace=None)
parse_known_args(args=None, namespace=None)
parse_known_intermixed_args(args=None, namespace=None)
print_help(file=None)
print_usage(file=None)
register(registry_name, value, object)
set_defaults(**kwargs)
schrodinger.utils.compare.get_arg_parser()
schrodinger.utils.compare.get_diff_chunks(diff_lines)
schrodinger.utils.compare.compare_diff_chunks(args, skip_patterns, diff_lines)
schrodinger.utils.compare.process_nonchange_diffs(diff_output_from_file1, diff_output_from_file2, skip_patterns)
schrodinger.utils.compare.can_skip_line(line, skip_patterns)
schrodinger.utils.compare.translate_nan_tokens_in_line(line)
schrodinger.utils.compare.get_diff_tokens_in_line(diff_output_line)
schrodinger.utils.compare.convert_diff_token_to_float(diff_token)
schrodinger.utils.compare.numerical_diff_is_acceptable(file1_float_token, file2_float_token, args)
schrodinger.utils.compare.compare_diff_lines(diff_key, diff_output_from_file1, diff_output_from_file2, skip_patterns, args)
schrodinger.utils.compare.get_regex_patterns_of_lines_to_skip(args)
schrodinger.utils.compare.get_diff_output_with_numerical_tolerance(diff_lines, *options)
schrodinger.utils.compare.main()