schrodinger.application.models.datamodels.composite2 module

class schrodinger.application.models.datamodels.composite2.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.

getEffectiveSetting() → SettingBinding

Return the setting whose value applies after inheritance resolution.

The effective setting is the first locking ancestor, if one exists; otherwise it is the deepest configuration setting whose value is not INHERITED, falling back to the definition setting.

inheritsFromAncestor() → 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.composite2.CompositeTransform(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

A single transform viewed across the full definition + config chain.

config_transforms: list[TransformBinding]

A parameter of the class.

__init__(definition_transform: TransformBinding = None, config_transforms: list[TransformBinding] = None, **kwargs: Any)

definition_transform: TransformBinding

A parameter of the class.

settings: list[CompositeSetting]

A parameter of the class.

getName() → str

getSettingByName(setting_name: str) → CompositeSetting

Raises:

KeyError – if no setting with the given name exists.

getFileSettings() → list[CompositeSetting]

Return settings whose transform catalog type is a file path.

getFileValues() → list[str]

Return explicit file values across the definition/config chain.

addConfigTransforms(transforms: list[TransformBinding])

addConfigTransform(transform: TransformBinding)

getTransformDict() → dict

config_transformsChanged

A pyqtSignal emitted by instances of the class.

config_transformsReplaced

A pyqtSignal emitted by instances of the class.

definition_transformChanged

A pyqtSignal emitted by instances of the class.

definition_transformReplaced

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.composite2.CompositeModel(*args, _param_type=<object object>, **kwargs)

Bases: CompoundParam

Merged view of a model definition and its configurations.

configs: list[ModelConfiguration]

A parameter of the class.

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

definition: ModelDefinition

A parameter of the class.

transforms: list[CompositeTransform]

A parameter of the class.

addConfigs(configs: list[ModelConfiguration])

addConfig(config: ModelConfiguration)

getLeafConfig() → ModelConfiguration | None

Return the leaf configuration, or None for a bare definition.

getParent(config: ModelConfiguration) → ModelInterface

Raises:

ValueError – if the config is not found.

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

Raises:

KeyError – if the transform or setting is not found.

getFileSettings() → list[CompositeSetting]

Return all effective file settings in this composite.

getFileValues() → list[str]

Return all explicit file values represented by this composite.

getPipelineDict() → dict

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.

getPipelineYamlString() → str

transformsChanged

A pyqtSignal emitted by instances of the class.

transformsReplaced

A pyqtSignal emitted by instances of the class.

writePipelineYamlFile(path: str)

validate() → ValidationSummary

isRunnable() → bool

Return True if the composite model has no validation violations.