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