schrodinger.application.livedesign.export_models module¶

class schrodinger.application.livedesign.export_models.MatchCompoundsBy¶

Bases: schrodinger.models.jsonable.JsonableEnum

structure = 'Structure or Imported Corporate ID'¶

corp_id = 'Corporate ID'¶

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

Bases: schrodinger.models.parameters.CompoundParam

Parameters specifying the destination of the exported data, both LiveDesign server and live report.

host: str¶: A parameter of the class.

proj_id: str¶: A parameter of the class.

proj_name: str¶: A parameter of the class.

lr_id: str¶: A parameter of the class.

lr_name: str¶: A parameter of the class.

lr_template_id: str¶: A parameter of the class.

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

hostReplaced¶: 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.

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

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

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

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

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Abstract specification for uploading data to a LiveDesign server.

data_name: str¶: A parameter of the class.

ld_model: str¶: A parameter of the class.

ld_endpoint: str¶: A parameter of the class.

units: str¶: A parameter of the class.

option: object¶: A parameter of the class.

addDataToExportTask(task)¶

Update the provided task with data from this specification.

Must be overridden in concrete subclasses.

Parameters: task (tasks.ThreadFunctionTask) – an export task

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

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

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

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

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

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

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

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

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

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

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

Bases: schrodinger.application.livedesign.export_models.DataExportSpec

Specification for structure property data.

addDataToExportTask(task)¶

Update the provided task prop_dicts attribute with data from this specification.

Parameters: task (tasks.ThreadFunctionTask) – an export task

getName()¶

Returns: the appropriate value for the “name” field for this property’s property dictionary during export to LiveDesign
Return type: str

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

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

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

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

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

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

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

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

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

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

class schrodinger.application.livedesign.export_models.Base3DExportSpec(*args, _param_type=<object object>, **kwargs)¶

Bases: schrodinger.application.livedesign.export_models.DataExportSpec

Abstract specification for 3D structure data.

addDataToExportTask(task, rl_map, corp_id_match_prop=None)¶

Update the provided task three_d_export_items attribute with data from this specification.

Parameters

task (tasks.ThreadFunctionTask) – an export task
rl_map (data_classes.ReceptorLigandMap) – a receptor-ligand map
corp_id_match_prop (str or NoneType) – optionally, a property that stores the corporate ID that should be used to store these 3D items on LD, if any

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

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

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

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

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

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

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

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

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

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

class schrodinger.application.livedesign.export_models.Standard3DExportSpec(*args, _param_type=<object object>, **kwargs)¶

Bases: schrodinger.application.livedesign.export_models.Base3DExportSpec

Specification for standard 3D export.

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

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

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

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

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

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

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Data class for linking structures with a local and remote file path for an upload

row_structures: List[schrodinger.structure._structure.Structure]¶: A parameter of the class.

file_path: str¶: A parameter of the class.

remote_file_name: str¶: A parameter of the class.

file_type: str¶: A parameter of the class.

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

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

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

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

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Data class for storing FFC attachment information.

description: str¶: A parameter of the class.

attachment_items: List[schrodinger.application.livedesign.export_models.AttachmentItem]¶: A parameter of the class.

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

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

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

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

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

Bases: schrodinger.application.livedesign.export_models.DataExportSpec

Abstract specification for FFC attachment export.

FILE_TYPE: str¶: A parameter of the class.

DESCRIPTION = NotImplemented¶

attachment_items: List[schrodinger.application.livedesign.export_models.AttachmentItem]¶: A parameter of the class.

getAttachmentData(panel_model)¶

Retrieve and store attachment data from the panel model.

Must be overridden in concrete subclasses.

Parameters: panel_model (ld_export2.ExportModel) – the model for the LD Export panel

addDataToExportTask(task)¶

Update the provided task attachment_data_map attribute with data from this specification.

Parameters: task (tasks.ThreadFunctionTask) – an export task

createAttachmentItems()¶

Create attachment items for a given task. These items link structures (rows in the LiveReport) with the attachment to be uploaded for them.

Must be overridden in concrete subclasses.

Returns: a list of attachment items to upload data for
Return type: list(AttachmentItem)

removeLocalFiles()¶: Remove the files created by this spec, if they still exist.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Parameters specifying 3D structure data export.

Variables

key (structure.Structure or str or NoneType) –

the identification key for this 3D item. It should either be:

a structure, if its corporate ID should be the same as that assigned to a structure that has not yet been exported
a string, if its corporate ID is known
None, if its corporate ID should be automatically assigned by LD

key: object¶: A parameter of the class.

ligand: schrodinger.structure._structure.Structure¶: A parameter of the class.

receptor: schrodinger.structure._structure.Structure¶: A parameter of the class.

three_d_specs: List[schrodinger.application.livedesign.export_models.Base3DExportSpec]¶: A parameter of the class.

setItemKey(key)¶

Assign the key to be used to identify where this item should be stored on a LiveDesign server.

Parameters: key (structure.Structure or str or NoneType) – the identification key for this item

setLigandCorpID(corp_id)¶

Assign the corporate ID for this structure.

Parameters: corp_id (str or NoneType) – the corporate ID, if any

getLigandCorpID()¶

Returns: the corporate ID for this item
Return type: str or NoneType

getLigandCompoundID()¶

Returns: the compound ID for this item
Return type: str or NoneType

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

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

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

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

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

The model for the summary panel shown the user prior to export.

ld_destination: schrodinger.application.livedesign.export_models.LDDestination¶: A parameter of the class.

structures_for_2d_export: List[schrodinger.structure._structure.Structure]¶: A parameter of the class.

input_summary: str¶: A parameter of the class.

three_d_export_items: List[schrodinger.application.livedesign.export_models.ThreeDExportItem]¶: A parameter of the class.

match_compounds_by: schrodinger.application.livedesign.export_models.MatchCompoundsBy¶: A parameter of the class.

property_export_specs: List[schrodinger.application.livedesign.export_models.PropertyExportSpec]¶: A parameter of the class.

ffc_export_specs: List[schrodinger.application.livedesign.export_models.FFCExportSpec]¶: A parameter of the class.

export_specs: List[schrodinger.application.livedesign.export_models.DataExportSpec]¶: A parameter of the class.

publish_data: bool¶: A parameter of the class.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

structures_for_2d_exportChanged¶: A pyqtSignal emitted by instances of the class.

structures_for_2d_exportReplaced¶: A pyqtSignal emitted by instances of the class.

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

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

class schrodinger.application.livedesign.export_models.EntityRegistrationStatus¶

Bases: schrodinger.models.jsonable.JsonableEnum

NEW = 1¶

REGISTERED = 2¶

class schrodinger.application.livedesign.export_models.InvalidGEIdHandlingPolicy¶

Bases: enum.Enum

REPLACE = 1¶

ASSIGN_NEW = 2¶

SKIP = 3¶

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

Bases: schrodinger.models.parameters.CompoundParam

st: schrodinger.structure._structure.Structure¶: A parameter of the class.

corp_id: str¶: A parameter of the class.

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Input model for export tasks.

ld_models: object¶: A parameter of the class.

ld_destination: schrodinger.application.livedesign.export_models.LDDestination¶: A parameter of the class.

structures_for_2d_export: List[schrodinger.structure._structure.Structure]¶: A parameter of the class.

three_d_export_items: List[schrodinger.application.livedesign.export_models.ThreeDExportItem]¶: A parameter of the class.

property_export_specs: List[schrodinger.application.livedesign.export_models.PropertyExportSpec]¶: A parameter of the class.

ffc_export_specs: List[schrodinger.application.livedesign.export_models.FFCExportSpec]¶: A parameter of the class.

publish_data: bool¶: A parameter of the class.

entry_type_name: str¶: A parameter of the class.

export_3d: bool¶: A parameter of the class.

pose_name_custom_text: str¶: A parameter of the class.

pose_name_propname: schrodinger.structure._structure.PropertyName¶: A parameter of the class.

export_generic_entities: bool¶: A parameter of the class.

corp_id_match_prop: str¶: A parameter of the class.

ge_file_format: str¶: A parameter of the class.

entity_registration_status: schrodinger.application.livedesign.export_models.EntityRegistrationStatus¶: A parameter of the class.

ge_export_items: List[schrodinger.application.livedesign.export_models.GEExportItem]¶: A parameter of the class.

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

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

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

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

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

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

export_3dChanged¶: A pyqtSignal emitted by instances of the class.

export_3dReplaced¶: A pyqtSignal emitted by instances of the class.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

structures_for_2d_exportChanged¶: A pyqtSignal emitted by instances of the class.

structures_for_2d_exportReplaced¶: A pyqtSignal emitted by instances of the class.

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Input model for Generic Entities export task.

lr_id: str¶: A parameter of the class.

proj_id: str¶: A parameter of the class.

corp_id_match_prop: str¶: A parameter of the class.

file_format: str¶: A parameter of the class.

entity_registration_status: schrodinger.application.livedesign.export_models.EntityRegistrationStatus¶: A parameter of the class.

ge_export_items: List[schrodinger.application.livedesign.export_models.GEExportItem]¶: A parameter of the class.

property_export_specs: List[schrodinger.application.livedesign.export_models.PropertyExportSpec]¶: A parameter of the class.

invalid_ids_handling_option: schrodinger.application.livedesign.export_models.InvalidGEIdHandlingPolicy¶: A parameter of the class.

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

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

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

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

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

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

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

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

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

invalid_ids_handling_optionReplaced¶: 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.

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Output model for Generic Entities export task.

lr_url: str¶: A parameter of the class.

num_success: int¶: A parameter of the class.

num_failure: int¶: A parameter of the class.

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

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

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

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

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

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

class schrodinger.application.livedesign.export_models.JsonablePropertyName(dataname=None, type=None, family=None, username=None)¶

Bases: schrodinger.models.json.JsonableClassMixin, schrodinger.structure._structure.PropertyName

toJsonImplementation()¶

Abstract method that must be defined by all derived classes. Converts an instance of the derived class into a jsonifiable object.

Returns: A dict made up of JSON native datatypes or Jsonable objects. See the link below for a table of such types. https://docs.python.org/2/library/json.html#encoders-and-decoders

classmethod fromJsonImplementation(json_dict)¶

Abstract method that must be defined by all derived classes. Takes in a dictionary and constructs an instance of the derived class.

Parameters: json_dict (dict) – A dictionary loaded from a JSON string or file.
Returns: An instance of the derived class.
Return type: cls

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

Bases: schrodinger.models.parameters.CompoundParam

Model for the Pose Name Edit Panel.

Variables

custom_text – the text of the custom text line edit; this value is stored temporarily while the panel is open, and will be copied to custom_text_final if the user accepts the panel
include_property – the check state of the “include property” checkbox
property_name – the structure property (if any) selected as part of the custom pose name; this value is stored temporarily while the panel is open, and will be copied to property_name_final if the user accepts the panel
property_user_name – the text of the structure property label
example_prop_string – the text of the example property
example_name – the text of the example pose name label
entry_data – the system entry data for the panel
custom_text_final – the custom text accepted by the user
property_name_final – the structure property (if any) accepted by the user

custom_text: str¶: A parameter of the class.

include_property: bool¶: A parameter of the class.

property_name: schrodinger.application.livedesign.export_models.JsonablePropertyName¶: A parameter of the class.

property_user_name: str¶: A parameter of the class.

example_prop_string: str¶: A parameter of the class.

example_name: str¶: A parameter of the class.

entry_data: schrodinger.application.livedesign.entry_types.BaseEntryData¶: A parameter of the class.

custom_text_final: str¶: A parameter of the class.

property_name_final: schrodinger.application.livedesign.export_models.JsonablePropertyName¶: A parameter of the class.

classmethod getJsonBlacklist()¶

Override to customize what params are serialized.

Implementations should return a list of abstract params that should be omitted from serialization.

..NOTE: Returned abstract params must be direct child params of cls, e.g. cls.name, not cls.coord.x.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Bases: schrodinger.application.livedesign.export_models.TaskInput

Input model for FFC attachment export task.

corp_ids: List[str]¶: A parameter of the class.

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

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

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

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

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

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

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

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

export_3dChanged¶: A pyqtSignal emitted by instances of the class.

export_3dReplaced¶: A pyqtSignal emitted by instances of the class.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

structures_for_2d_exportChanged¶: A pyqtSignal emitted by instances of the class.

structures_for_2d_exportReplaced¶: A pyqtSignal emitted by instances of the class.

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Output model for FFC attachment export task.

num_success: int¶: A parameter of the class.

num_failure: int¶: A parameter of the class.

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

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

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

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

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

Bases: schrodinger.models.parameters.CompoundParam

Data class for storing file paths necessary for standard LD export (v8.6-).

map_file_path: str¶: A parameter of the class.

sdf_file_path: str¶: A parameter of the class.

three_d_file_path: str¶: A parameter of the class.

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

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

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

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

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

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

schrodinger.application.livedesign.export_models.make_prop_dict(units='', name='', endpoint='', model='')¶

Return a dictionary formatted to represent a structure property. Formatting should match the dictionary formatting required by the properties argument of LDClient.start_export_assay_and_pose_data().

Parameters

units (str) – unit system used by this property
name (str) – name for this property; either the data name or user name
endpoint (str) – the LiveDesign endpoint
model (str) – the user-specified portion of the name for the column under which this property will be stored after export to LiveDesign