ovo.core.database.models_refolding

Module Contents

Classes

RefoldingSupportedDesignWorkflow	Abstract class that defines an interface for workflows supported by the RefoldingWorkflow workflow
RefoldingWorkflow

API

class ovo.core.database.models_refolding.RefoldingSupportedDesignWorkflow

Bases: abc.ABC

Abstract class that defines an interface for workflows supported by the RefoldingWorkflow workflow

abstractmethod get_refolding_native_pdb_path(contig_index: int) → Optional[str]

abstractmethod get_refolding_design_paths(design_ids: list[str]) → dict[str, str]

abstractmethod get_refolding_design_type() → str

abstractmethod get_refolding_designed_chains() → list[str]

class ovo.core.database.models_refolding.RefoldingWorkflow

Bases: ovo.core.database.models.DescriptorWorkflow

chains: List[str]

‘field(…)’

tests: List[str]

None

design_type: str

None

native_pdb_path: str

None

get_pipeline_name() → str

prepare_params(workdir: str) → dict

process_results(job: ovo.core.database.DescriptorJob, callback: Callable | None = None) → list[ovo.core.database.models.Base]

store_outputs(job: ovo.core.database.DescriptorJob, callback: Optional[Callable] = None) → list[ovo.core.database.models.DescriptorValue]

Store structure files for all designs and tests, using the batch/contig discovery logic.

classmethod store_output(design_id: str, test: str, batch_output_path: str | None, destination_dir: str, descriptor_job_id: str, chains: str | list[str], source_structure_path: Optional[str] = None, primary: bool = False) → list[ovo.core.database.models.DescriptorValue]

Store structure files and create descriptor values for all refolding test types.

classmethod get_descriptor_key_prefix(test: str, primary: bool = False) → str

validate()

classmethod from_designs(pool_ids: list[str], design_ids: list[str], tests: list[str], design_type: str, **kwargs) → list[ovo.core.database.models_refolding.RefoldingWorkflow]

Create one or more RefoldingWorkflow objects based on the pools and designs selected for refolding evaluation.