citrine.informatics.design_spaces.formulation_design_space module

class citrine.informatics.design_spaces.formulation_design_space.FormulationDesignSpace(name: str, *, description: str, formulation_descriptor: FormulationDescriptor, ingredients: set[str], constraints: set[Constraint], labels: Mapping[str, set[str]] | None = None, resolution: float = 0.0001)

Bases: Resource[FormulationDesignSpace], DesignSubspace

Design space composed of mixtures of ingredients.

Parameters:

  • name (str) – the name of the design space

  • description (str) – the description of the design space

  • formulation_descriptor (FormulationDescriptor) – descriptor used to store formulations sampled from the design space

  • ingredients (set[str]) – set of ingredient names that can be used in a formulation

  • constraints (set[IngredientConstraint]) – set of constraints that restricts formulations sampled from the space. This must include an IngredientCountConstraint with maximum count of 32 or fewer.

  • labels (Mapping[str, set[str]] | None) – map from a label to each ingredient that should given that label when it’s included in a formulation, e.g., {'solvent': {'water', 'alcohol'}}

  • resolution (float, optional) – Minimum increment used to specify ingredient quantities. Default is 0.0001.

access_control_dict() → dict

Return an access control entity representation of this resource. Internal use only.

classmethod build(data: dict) → Self

Build an instance of this object from given data.

dump() → dict

Dump this instance.

classmethod get_type(data) → type[DesignSubspace]

Return the subtype.

constraints: set[Constraint] = None
description: str = None
formulation_descriptor: FormulationDescriptor = None
ingredients: set[str] = None
labels: Mapping[str, set[str]] | None = None
name: str = None
resolution: float = None
typ = 'FormulationDesignSpace'