schrodinger.application.livedesign.models2.datamodels.definition module¶

class schrodinger.application.livedesign.models2.datamodels.definition.InputType¶

Bases: JsonableEnum

INTEGER = 'NUMERIC-INPUT'¶

STRING = 'TEXT-INPUT'¶

LIVEDESIGN_URL = 'LIVEDESIGN-URL'¶

SDF_FILE = 'SDF-FILE'¶

ORIGINAL_SDF = 'ORIG-SDF-FILE'¶

HARDCODED_PCD_DRIVER = 'HARDCODED_PCD_DRIVER'¶

HARDCODED_MCS_DRIVER = 'HARDCODED_MCS_DRIVER'¶

FILE = 'FILE-INPUT'¶

MULTI_COLUMN = 'MULTI-COLUMN-INPUT'¶

ENTITY_FILE = 'ENTITY-FILE'¶

LIST_INPUT = 'LIST-INPUT'¶

RDKIT_MOL = 'RDKIT-MOL'¶

class schrodinger.application.livedesign.models2.datamodels.definition.OutputType¶

Bases: JsonableEnum

REAL = 'real'¶

STRING = 'string'¶

INTEGER = 'integer'¶

BOOLEAN = 'boolean'¶

PROTEIN = '3d structure target'¶

LIGAND = '3d structure ligand'¶

IMAGE = 'image'¶

ATTACHMENT = 'attachment'¶

ANIMATION = '3d structure animation'¶

OTHER_3D = 'Other 3d structure'¶

DATE = 'date'¶

DATETIME = 'datetime'¶

class schrodinger.application.livedesign.models2.datamodels.definition.ScriptSourceType¶

Bases: JsonableEnum

CUSTOM: The script is not defined in the core suite. BUILT_IN: The script is defined in the core suite.

CUSTOM = 'CUSTOM'¶

BUILT_IN = 'BUILT-IN'¶

class schrodinger.application.livedesign.models2.datamodels.definition.ExecutionMode¶

Bases: JsonableEnum

How to execute the ldtask script

IN_PROCESS = 'IN-PROCESS'¶

LOCAL_JOB = 'LOCAL-JOB'¶

REMOTE_JOB = 'REMOTE-JOB'¶

class schrodinger.application.livedesign.models2.datamodels.definition.ScriptSource(*args, _param_type=<object object>, **kwargs)¶

Bases: CompoundParam

source_type: ScriptSourceType¶: A parameter of the class.

source_path: str¶: A parameter of the class.

version: int¶: A parameter of the class.

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

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

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

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

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

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

class schrodinger.application.livedesign.models2.datamodels.definition.DefinitionMetadata(*args, _param_type=<object object>, **kwargs)¶

Bases: CompoundParam

default_name: str¶: A parameter of the class.

default_description: str¶: A parameter of the class.

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

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

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

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

class schrodinger.application.livedesign.models2.datamodels.definition.SettingDef(*args, _param_type=<object object>, **kwargs)¶

Bases: CompoundParam

name: str¶: A parameter of the class.

default_val: str¶: A parameter of the class.

type: InputType¶: A parameter of the class.

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

default_valReplaced¶: 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.

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

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

class schrodinger.application.livedesign.models2.datamodels.definition.InputColumnDef(*args, _param_type=<object object>, **kwargs)¶

Bases: CompoundParam

name: str¶: A parameter of the class.

type: InputType¶: A parameter of the class.

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

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

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

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

class schrodinger.application.livedesign.models2.datamodels.definition.OutputColumnDef(*args, _param_type=<object object>, **kwargs)¶

Bases: CompoundParam

Parameters:

name – the setting name (also column header in the results.csv file)
display_name – the name displayed in the UI
type – the type of the output

name: str¶: A parameter of the class.

display_name: str¶: A parameter of the class.

type: OutputType¶: A parameter of the class.

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

display_nameReplaced¶: 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.

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

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

class schrodinger.application.livedesign.models2.datamodels.definition.ModelDefinition(*args, _param_type=<object object>, **kwargs)¶

Bases: CompoundParam

definition_id: str¶: A parameter of the class.

batch_size: int¶: A parameter of the class.

execution_mode: ExecutionMode¶: A parameter of the class.

script_source: ScriptSource¶: A parameter of the class.

metadata: DefinitionMetadata¶: A parameter of the class.

settings: list[schrodinger.application.livedesign.models2.datamodels.definition.SettingDef]¶: A parameter of the class.

input_columns: list[schrodinger.application.livedesign.models2.datamodels.definition.InputColumnDef]¶: A parameter of the class.

output_columns: list[schrodinger.application.livedesign.models2.datamodels.definition.OutputColumnDef]¶: A parameter of the class.

validation_set: str¶: A parameter of the class.

classmethod fromYaml(yaml_str: str) → Self¶

toYaml() → str¶

toYamlFile(filename: str) → None¶

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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