schrodinger.application.glide.sort_parser_common module

Argument parsing helpers for glide_sort/glide_merge

class schrodinger.application.glide.sort_parser_common.SortAction(option_strings, dest, nargs=None, const=None, default=None, type=None, choices=None, required=False, help=None, metavar=None)

Bases: argparse.Action

__init__(option_strings, dest, nargs=None, const=None, default=None, type=None, choices=None, required=False, help=None, metavar=None)

class schrodinger.application.glide.sort_parser_common.ObsoleteAction(*args, **kwargs)

Bases: argparse.Action

__init__(*args, **kwargs)

schrodinger.application.glide.sort_parser_common.add_modes_group(parser)

schrodinger.application.glide.sort_parser_common.add_file_options_group(parser)

schrodinger.application.glide.sort_parser_common.add_output_options_group(parser)

schrodinger.application.glide.sort_parser_common.add_scoring_group(parser, progname)

schrodinger.application.glide.sort_parser_common.add_filter_parser_group(parser)

schrodinger.application.glide.sort_parser_common.add_undocumented_args(parser)

schrodinger.application.glide.sort_parser_common.add_obsolete_args(parser)

schrodinger.application.glide.sort_parser_common.check_modes(parser, args)

schrodinger.application.glide.sort_parser_common.set_files_from_args(parser, args)

schrodinger.application.glide.sort_parser_common.check_file_formats(parser, args)

schrodinger.application.glide.sort_parser_common.set_sort_criteria_from_args(parser, args)

Check that either user-specified sort criteria are used _or_ at most, a single ‘-use_*’ score flag. Updates the list of sort criteria accordingly.

Parameters

• parser (argparse.ArgumentParser) – The parser being used.

• args (Namespace) – Parsed arguments.

Returns

Whether any sort criteria flags were provided.

Return type

bool

schrodinger.application.glide.sort_parser_common.set_output_options_from_args(parser, args)

schrodinger.application.glide.sort_parser_common.set_custom_scoring_function_from_args(parser, args, sort_criteria_provided=False)

schrodinger.application.glide.sort_parser_common.set_filters_from_args(parser, args)