schrodinger.application.types.charge_state module

schrodinger.application.types.charge_state.get_charge_validation_error(total: int, total_abs: int) → str | None

Return an error message if the given charges are invalid, or None if valid.

class schrodinger.application.types.charge_state.ChargeState(*, total: int = 0, total_abs: int = 0)

Bases: BaseModel

total: int

total_abs: int

model_config: ClassVar[ConfigDict] = {'frozen': True}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

validate_charges() → Self