OCDocker.OCScore.CLI.reduce module

ocdocker ocscore reduce — merge raw PDBbind and DUDEz pipeline tables.

CLI to merge raw PDBbind and DUDEz pipeline tables for OCScore modeling.

OCDocker.OCScore.CLI.reduce.prepare_dudez_dataframe(df)[source]

Copyright (c) Federal University of Rio de Janeiro (UFRJ), Artur Duque Rossi, and Pedro Henrique Monteiro Torres.

SPDX-License-Identifier: BSD-3-Clause

See the LICENSE file for full terms.

Parameters:

df (DataFrame)

Return type:

DataFrame

OCDocker.OCScore.CLI.reduce.add_arguments(parser)[source]

Register ocscore reduce command-line arguments.

Parameters:

parser (argparse.ArgumentParser) – Parser or subparser to extend.

Return type:

None

OCDocker.OCScore.CLI.reduce.build_argparser()[source]

Build the ocscore reduce command-line parser.

Return type:

ArgumentParser

OCDocker.OCScore.CLI.reduce.register_subparser(subparsers)[source]

Register the reduce subcommand on the ocscore parser.

Parameters:

subparsers (_SubParsersAction)

Return type:

None

OCDocker.OCScore.CLI.reduce.cmd_reduce(args)[source]

Dispatch handler for ocscore reduce.

Parameters:

args (Namespace)

Return type:

int

OCDocker.OCScore.CLI.reduce.main(argv=None)[source]

Run the ocscore reduce CLI.

Parameters:

argv (list[str], optional) – Optional argument list for testing or programmatic execution.

Returns:

Process exit code. Zero indicates success.

Return type:

int

OCDocker.OCScore.CLI.reduce.main_from_args(args)[source]

Merge raw PDBbind and DUDEz inputs and write prepare-stage artifacts.

Parameters:

args (argparse.Namespace) – Parsed command-line arguments.

Returns:

Process exit code. Zero indicates success.

Return type:

int