schrodinger.application.models.datamodels.v2 module

class schrodinger.application.models.datamodels.v2.SettingBinding(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

A setting value and constraint, used in both model definitions and model configurations.

Variables:

name – The name of this setting. Should match exactly with a field name from a transform’s pydantic config class. Should be considered immutable after construction.

name: str

A parameter of the class.

value: str

A parameter of the class.

child_constraint: ChildConstraint

A parameter of the class.

child_constraintChanged

A pyqtSignal emitted by instances of the class.

child_constraintReplaced

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.

valueChanged

A pyqtSignal emitted by instances of the class.

valueReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.application.models.datamodels.v2.TransformBinding(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

Variables:

• name – The name of this transform. Should match exactly with a transform in the transform catalog. Should be considered immutable after construction.

• settings – The specification for which transform settings can be overridden by a model.

name: str

A parameter of the class.

settings: list[SettingBinding]

A parameter of the class.

getSettingByName(setting_name: str) → SettingBinding

Raises:

KeyError – if no setting with the given name exists.

getSpec() → TransformSpec

Look up the full read-only TransformSpec from the YAML transform catalog.

nameChanged

A pyqtSignal emitted by instances of the class.

nameReplaced

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.

class schrodinger.application.models.datamodels.v2.ModelDefinition(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

is_built_in: bool

A parameter of the class.

mmshare_version: int

A parameter of the class.

metadata: ModelMetadata

A parameter of the class.

transforms: list[TransformBinding]

A parameter of the class.

getId() → str

is_built_inChanged

A pyqtSignal emitted by instances of the class.

is_built_inReplaced

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.

mmshare_versionChanged

A pyqtSignal emitted by instances of the class.

mmshare_versionReplaced

A pyqtSignal emitted by instances of the class.

transformsChanged

A pyqtSignal emitted by instances of the class.

transformsReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.application.models.datamodels.v2.ModelConfiguration(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

definition_id: str

A parameter of the class.

parent_config_id: str

A parameter of the class.

mmshare_version: int

A parameter of the class.

metadata: ModelMetadata

A parameter of the class.

__init__(parent: ModelDefinition | ModelConfiguration = None, **kwargs: Any) → None

transforms: list[TransformBinding]

A parameter of the class.

getId() → str

definition_idChanged

A pyqtSignal emitted by instances of the class.

definition_idReplaced

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.

mmshare_versionChanged

A pyqtSignal emitted by instances of the class.

mmshare_versionReplaced

A pyqtSignal emitted by instances of the class.

parent_config_idChanged

A pyqtSignal emitted by instances of the class.

parent_config_idReplaced

A pyqtSignal emitted by instances of the class.

transformsChanged

A pyqtSignal emitted by instances of the class.

transformsReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.application.models.datamodels.v2.CompositeSetting(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

A single setting viewed across the full definition + config chain. Resolves the effective value by walking the config overrides.

definition_setting: SettingBinding

A parameter of the class.

config_settings: list[SettingBinding]

A parameter of the class.

getName() → str

getValueString() → str

Resolve the effective value string. If a locking ancestor exists, use its value. Otherwise, use the last non-INHERITED config value, falling back to the definition value.

getValue() → str

isInherited() → bool

addConfigSetting(setting: SettingBinding)

config_settingsChanged

A pyqtSignal emitted by instances of the class.

config_settingsReplaced

A pyqtSignal emitted by instances of the class.

definition_settingChanged

A pyqtSignal emitted by instances of the class.

definition_settingReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.application.models.datamodels.v2.CompositeTransform(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

name: str

A parameter of the class.

settings: list[CompositeSetting]

A parameter of the class.

getSettingByName(setting_name: str) → CompositeSetting

Raises:

KeyError – if no setting with the given name exists.

getTransformDict() → dict

nameChanged

A pyqtSignal emitted by instances of the class.

nameReplaced

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.

class schrodinger.application.models.datamodels.v2.CompositeModel(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

Merged view of a model definition and its configurations.

transforms: list[CompositeTransform]

A parameter of the class.

configs: list[ModelConfiguration]

A parameter of the class.

__init__(definition: ModelDefinition = None, configs: list[ModelConfiguration] = None, **kwargs: Any) → None

definition: ModelDefinition

A parameter of the class.

addConfigs(configs: list[ModelConfiguration])

addConfig(config: ModelConfiguration)

getSetting(xform_name: str, setting_name: str) → CompositeSetting

Raises:

KeyError – if the transform or setting is not found.

getPipelineDict() → dict

getPipelineYamlString() → str

writePipelineYamlFile(path: str) → None

configsChanged

A pyqtSignal emitted by instances of the class.

configsReplaced

A pyqtSignal emitted by instances of the class.

definitionChanged

A pyqtSignal emitted by instances of the class.

definitionReplaced

A pyqtSignal emitted by instances of the class.

transformsChanged

A pyqtSignal emitted by instances of the class.

transformsReplaced

A pyqtSignal emitted by instances of the class.