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)[source]¶
Bases:
argparse.ArgumentParser
- __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.process_nonchange_diffs(diff_output_from_file1, diff_output_from_file2, skip_patterns)[source]¶
- schrodinger.utils.compare.numerical_diff_is_acceptable(file1_float_token, file2_float_token, args)[source]¶