schrodinger.application.phase.packages.hypo_refine.option_utils module¶
Module with phase_hypo_refine option parsing and validation functionality.
Copyright Schrodinger LLC, All Rights Reserved.
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schrodinger.application.phase.packages.hypo_refine.option_utils.
add_project_creation_options
(parser)¶ Adds project creation options to the provided parser.
Parameters: parser (argparser.ArgumentParser) – Argument parser object.
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schrodinger.application.phase.packages.hypo_refine.option_utils.
add_refinement_options
(parser)¶ Adds hypothesis refinement options to the provided parser.
Parameters: parser (argparser.ArgumentParser) – Argument parser object.
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schrodinger.application.phase.packages.hypo_refine.option_utils.
get_parser
()¶ Creates argparse.ArgumentParser with supported command line options.
Returns: Argument parser object Return type: argparser.ArgumentParser
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schrodinger.application.phase.packages.hypo_refine.option_utils.
validate_actives_decoys
(args)¶ Checks the validity of <actives>, <decoys>, and, if applicable, <actives2> and <decoys2>.
Parameters: args (argparser.Namespace) – argparser.Namespace with command line arguments Returns: tuple of validity and non-empty error message if not valid Return type: bool, str
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schrodinger.application.phase.packages.hypo_refine.option_utils.
validate_args
(args)¶ Checks the validity of command line arguments.
Parameters: args (argparser.Namespace) – argparser.Namespace with command line arguments Returns: tuple of validity and non-empty error message if not valid Return type: bool, str
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schrodinger.application.phase.packages.hypo_refine.option_utils.
validate_hypo
(args)¶ Checks the validity of hypothesis.
Parameters: args (argparser.Namespace) – argparser.Namespace with command line arguments Returns: tuple of validity and non-empty error message if not valid Return type: bool, str
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schrodinger.application.phase.packages.hypo_refine.option_utils.
validate_project_creation_options
(args)¶ Checks the validity of project creation options.
Parameters: args (argparser.Namespace) – argparser.Namespace with command line arguments Returns: tuple of validity and non-empty error message if not valid Return type: bool, str
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schrodinger.application.phase.packages.hypo_refine.option_utils.
validate_project_fd
(project_path, hypo_path)¶ Validates that the feature definitions in the provided zipped project are equivalent to those in the provided hypothesis.
Parameters: - project_path (str) – Path to zipped project file
- hypo_path (str) – Path to hypothesis file
Returns: tuple of validity and non-empty error message if not valid
Return type: bool, str
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schrodinger.application.phase.packages.hypo_refine.option_utils.
validate_project_sites
(project_path)¶ Validates that the provided zipped project contains pharmacophores sites.
Parameters: project_path (str) – Path to zipped project file Returns: tuple of validity and non-empty error message if not valid Return type: bool, str
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schrodinger.application.phase.packages.hypo_refine.option_utils.
validate_refinement_options
(args)¶ Checks the validity of hypothesis refinement options.
Parameters: args (argparser.Namespace) – argparser.Namespace with command line arguments Returns: tuple of validity and non-empty error message if not valid Return type: bool, str