schrodinger.application.livedesign.ld_import_utils module

class schrodinger.application.livedesign.ld_import_utils.LDImportTask(info_task, import_task)

Bases: tuple

import_task

Alias for field number 1

info_task

Alias for field number 0

class schrodinger.application.livedesign.ld_import_utils.LDImportTaskManager

Bases: PyQt6.QtCore.QObject

Manages the tasks for importing structures from LiveDesign. It takes care of doing required post processing after the import task is done, i.e to import structure file in maestro.

Variables

instance – The singleton instance of the class.

instance = None

__init__()

static getInstance() → Self

Returns the singleton instance of the class.

Returns

The singleton instance of the class.

addLDImportTask(task: schrodinger.application.livedesign.ld_import_utils.LDImportTask, structure_file_path: str)

Adds task to list of tasks managed by this class.

Parameters

• task – is the LDImportTask to be added and managed by this instance.

• structure_file_path – is file path where tasks result (output structures) are to be dumped on disk.

add3DGenericEntityImportTask(task: schrodinger.application.livedesign.ld_tasks.Import3DGenericEntitiesTask, structure_file_path: str)

Adds task to list of tasks managed by this class.

Parameters

task – is the Import3DGenericEntitiesTask to be added and managed by this instance.

schrodinger.application.livedesign.ld_import_utils.get_structure_info_via_structure_group_search(lr_id: str, column_ids: list[str] | None = None, row_keys: list[str] | None = None, report_level: str | None = None, return_2D_st_info=False) → list[schrodinger.application.livedesign.ld_tasks.StructureInfo]

Get a list of structure information from the LiveDesign for the structures available for import via the structure_group_search API.

Parameters

• lr_id – The live report ID to be used for structure search.

• column_ids – Column IDs to limit the search to, defaults to None

• row_keys – Row keys to limit the search to, defaults to None

• report_level – The report level to be used while calling the API, defaults to ‘ld_client.enums.ReportLevel.PARENT’.

• return_2D_st_info – If True, returns the 2D structure information objects as well, defaults to False.

Returns

A list of structure information objects.

class schrodinger.application.livedesign.ld_import_utils.StructureInfoTask(*args, _param_type=<object object>, **kwargs)

Bases: schrodinger.tasks.tasks.ThreadFunctionTask

Task to get the structure information from the LiveDesign for the structures available for import via the structure_group_search API.

class Input(*args, _param_type=<object object>, **kwargs)

Bases: schrodinger.models.parameters.CompoundParam

lr_id: str

A parameter of the class.

report_level: str

A parameter of the class.

column_ids: List[str]

A parameter of the class.

row_keys: List[str]

A parameter of the class.

column_idsChanged

A pyqtSignal emitted by instances of the class.

column_idsReplaced

A pyqtSignal emitted by instances of the class.

lr_idChanged

A pyqtSignal emitted by instances of the class.

lr_idReplaced

A pyqtSignal emitted by instances of the class.

report_levelChanged

A pyqtSignal emitted by instances of the class.

report_levelReplaced

A pyqtSignal emitted by instances of the class.

row_keysChanged

A pyqtSignal emitted by instances of the class.

row_keysReplaced

A pyqtSignal emitted by instances of the class.

class Output(*args, _param_type=<object object>, **kwargs)

Bases: schrodinger.models.parameters.CompoundParam

structure_infos: list[schrodinger.application.livedesign.ld_tasks.StructureInfo]

A parameter of the class.

structure_infosChanged

A pyqtSignal emitted by instances of the class.

structure_infosReplaced

A pyqtSignal emitted by instances of the class.

mainFunction()

This logic will be run in a worker thread and must not access thread-unsafe libraries, including structure.Structure.

calling_contextChanged

A pyqtSignal emitted by instances of the class.

calling_contextReplaced

A pyqtSignal emitted by instances of the class.

failure_infoChanged

A pyqtSignal emitted by instances of the class.

failure_infoReplaced

A pyqtSignal emitted by instances of the class.

input: parameters.CompoundParam

A parameter of the class.

inputChanged

A pyqtSignal emitted by instances of the class.

inputReplaced

A pyqtSignal emitted by instances of the class.

max_progressChanged

A pyqtSignal emitted by instances of the class.

max_progressReplaced

A pyqtSignal emitted by instances of the class.

nameChanged

A pyqtSignal emitted by instances of the class.

nameReplaced

A pyqtSignal emitted by instances of the class.

output: parameters.CompoundParam

A parameter of the class.

outputChanged

A pyqtSignal emitted by instances of the class.

outputReplaced

A pyqtSignal emitted by instances of the class.

progressChanged

A pyqtSignal emitted by instances of the class.

progressReplaced

A pyqtSignal emitted by instances of the class.

progress_stringChanged

A pyqtSignal emitted by instances of the class.

progress_stringReplaced

A pyqtSignal emitted by instances of the class.

statusChanged

A pyqtSignal emitted by instances of the class.

statusReplaced

A pyqtSignal emitted by instances of the class.

schrodinger.application.livedesign.ld_import_utils.import_structures_from_ld_async(live_report_id: str, report_level: str, column_ids: List[str], row_keys: List[str], structure_fpath: str) → schrodinger.application.livedesign.ld_import_utils.LDImportTask

Imports structures from the LiveDesign server asynchronously.

Parameters

• live_report_id – The live report ID to be used for structure search.

• report_level – The report level to be used while calling the API.

• column_ids – Column IDs to limit the search to.

• row_keys – Row keys to limit the search to.

• structure_fpath – The path to the file where structure needs to be written.

Returns

The LDImportTask object.

Raises

LDClientConnectionError – If ldcient is not connected.

schrodinger.application.livedesign.ld_import_utils.process_ld_import_request(live_report_id: str, report_level: str, column_ids: List[str], row_keys: List[str])

Imports structures from the LiveDesign server.

Parameters

• live_report_id – The live report ID to be used for structure search.

• report_level – The report level to be used while calling the API.

• column_ids – Column IDs to limit the search to.

• row_keys – Row keys to limit the search to.

schrodinger.application.livedesign.ld_import_utils.import_3d_generic_entities_from_ld_async(manageable_file_ids: list[str], structure_fpath: str) → schrodinger.application.livedesign.ld_tasks.Import3DGenericEntitiesTask

Imports 3D generic entity structures from the LiveDesign server asynchronously.

Parameters

• manageable_file_ids – List iof manageable file IDs to be used for downloading the generic entities.

• structure_fpath – The path to the file where structure needs to be written.

Returns

The Import3DGenericEntitiesTask instance.

Raises

LDClientConnectionError – If ldclient is not connected.

schrodinger.application.livedesign.ld_import_utils.process_ld_import_generic_entity_request(manageable_file_id: str)

Downloads generic entity from the LiveDesign server asynchronously.

Parameters

manageable_file_id – The manageable file ID to be used for downloading the generic entity.

:return : The Import3DGenericEntitiesTask object.