schrodinger.application.livedesign.ld_tasks module¶

Task class used for LiveDesign import GUIs.

class schrodinger.application.livedesign.ld_tasks.StructureInfo(title: str, entity_id: str | None = None, structure_attachment_ids: set[str] = <factory>, manageable_file_id: str | None = None, is_composite_row_structure: bool = False)¶

Bases: object

Represents the data for a structure to be imported.

Variables:

title – The title of the structure
entity_id – The entity ID of the structure (if available)
structure_attachment_ids – The attachment IDs of the structure in LD. The s_livedesign_ATTACHMENT_ID property in the structures retrieved via export_to_maestro API can match with any of these IDs.

title: str¶

entity_id: str | None = None¶

structure_attachment_ids: set[str]¶

manageable_file_id: str | None = None¶

is_composite_row_structure: bool = False¶

__init__(title: str, entity_id: str | None = None, structure_attachment_ids: set[str] = <factory>, manageable_file_id: str | None = None, is_composite_row_structure: bool = False) → None¶

schrodinger.application.livedesign.ld_tasks.get_structure_info_via_structure_group_search(lr_id: str, column_ids: list[str] | None = None, row_keys: list[str] | None = None, row_infos: list[dict] | 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. If row_infos is passed, report_level must be passed with the same value as it was used to fetch the row_infos.

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
row_infos – LiveReport row infos if available. If not passed, it will be fetched from the ld instance.
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_tasks.StructureInfoTask(*args, _param_type=<object object>, **kwargs)¶

Bases: 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: 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.

return_2D_st_info: bool¶: 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.

return_2D_st_infoChanged¶: A pyqtSignal emitted by instances of the class.

return_2D_st_infoReplaced¶: 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: 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.

class schrodinger.application.livedesign.ld_tasks.ImportTaskInput(*args, _param_type=<object object>, **kwargs)¶

Bases: CompoundParam

lr_id: str¶: A parameter of the class.

lr_column_ids: list¶: A parameter of the class.

selected_sts_info: list[schrodinger.application.livedesign.ld_tasks.StructureInfo]¶: A parameter of the class.

lr_column_idsChanged¶: A pyqtSignal emitted by instances of the class.

lr_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.

selected_sts_infoChanged¶: A pyqtSignal emitted by instances of the class.

selected_sts_infoReplaced¶: A pyqtSignal emitted by instances of the class.

class schrodinger.application.livedesign.ld_tasks.ImportStructuresTask(*args, _param_type=<object object>, **kwargs)¶

Bases: ThreadFunctionTask

Import structures from a LiveReport

input: ImportTaskInput¶: A parameter of the class.

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

Bases: CompoundParam

imported_structures: list[schrodinger.structure._structure.Structure]¶: A parameter of the class.

structures_missing: bool¶: A parameter of the class.

imported_structuresChanged¶: A pyqtSignal emitted by instances of the class.

imported_structuresReplaced¶: A pyqtSignal emitted by instances of the class.

structures_missingChanged¶: A pyqtSignal emitted by instances of the class.

structures_missingReplaced¶: A pyqtSignal emitted by instances of the class.

ld_host¶

This class can be used to declare a public attribute on a CompoundParam. Declared public attributes can be used without error.

Example usage:

class Coord(CompoundParam):
    x: int
    y: int
    note = NonParamAttribute()

coord = Coord()
coord.note = "hello" # No error

initializeValue()¶: @overrides: parameters.CompoundParam

mainFunction()¶: Imports structures from maestro. This logic will be run in a worker thread and must not access thread-unsafe libraries, including structure.Structure.

postProcessStructures()¶: Read in structures in a post processor to avoid working with structures in a non-thread safe way

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.

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.

class schrodinger.application.livedesign.ld_tasks.Import3DGenericEntitiesTask(*args, _param_type=<object object>, **kwargs)¶

Bases: ThreadFunctionTask

Import 3D generic entities from LiveReport

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

Bases: CompoundParam

sts_info: list[schrodinger.application.livedesign.ld_tasks.StructureInfo]¶: A parameter of the class.

sts_infoChanged¶: A pyqtSignal emitted by instances of the class.

sts_infoReplaced¶: A pyqtSignal emitted by instances of the class.

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

Bases: CompoundParam

imported_structures: list[schrodinger.structure._structure.Structure]¶: A parameter of the class.

structures_missing: bool¶: A parameter of the class.

imported_structuresChanged¶: A pyqtSignal emitted by instances of the class.

imported_structuresReplaced¶: A pyqtSignal emitted by instances of the class.

structures_missingChanged¶: A pyqtSignal emitted by instances of the class.

structures_missingReplaced¶: A pyqtSignal emitted by instances of the class.

initializeValue()¶: @overrides: parameters.CompoundParam

mainFunction()¶: This function will be run in a worker thread and must not access thread-unsafe libraries.

postProcessStructures()¶: Read in structures in a post processor to avoid working with structures in a non-thread safe way

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.

class schrodinger.application.livedesign.ld_tasks.ImportTask(*args, _param_type=<object object>, **kwargs)¶

Bases: ThreadFunctionTask

Task to import structures and 3D generic entities from the LiveDesign

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

Bases: CompoundParam

lr_id: str¶: A parameter of the class.

lr_column_ids: list¶: A parameter of the class.

selected_sts_info: list[schrodinger.application.livedesign.ld_tasks.StructureInfo]¶: A parameter of the class.

lr_column_idsChanged¶: A pyqtSignal emitted by instances of the class.

lr_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.

selected_sts_infoChanged¶: A pyqtSignal emitted by instances of the class.

selected_sts_infoReplaced¶: A pyqtSignal emitted by instances of the class.

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

Bases: CompoundParam

imported_structures: list[schrodinger.structure._structure.Structure]¶: A parameter of the class.

structures_missing: bool¶: A parameter of the class.

imported_structuresChanged¶: A pyqtSignal emitted by instances of the class.

imported_structuresReplaced¶: A pyqtSignal emitted by instances of the class.

structures_missingChanged¶: A pyqtSignal emitted by instances of the class.

structures_missingReplaced¶: A pyqtSignal emitted by instances of the class.

ld_host¶

This class can be used to declare a public attribute on a CompoundParam. Declared public attributes can be used without error.

Example usage:

class Coord(CompoundParam):
    x: int
    y: int
    note = NonParamAttribute()

coord = Coord()
coord.note = "hello" # No error

import_sts_task¶

This class can be used to declare a public attribute on a CompoundParam. Declared public attributes can be used without error.

Example usage:

class Coord(CompoundParam):
    x: int
    y: int
    note = NonParamAttribute()

coord = Coord()
coord.note = "hello" # No error

import_ge_task¶

This class can be used to declare a public attribute on a CompoundParam. Declared public attributes can be used without error.

Example usage:

class Coord(CompoundParam):
    x: int
    y: int
    note = NonParamAttribute()

coord = Coord()
coord.note = "hello" # No error

initializeValue()¶: @overrides: parameters.CompoundParam

mainFunction()¶: This function will be run in a worker thread and must not access thread-unsafe libraries.

postProcessStructures()¶: Read in structures in a post processor to avoid working with structures in a non-thread safe way

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.