# Source code for propertyestimator.protocols.miscellaneous

    """
    A collection of miscellaneous protocols, mostly aimed at performing simple
    math operations.
    """
    import typing

    import numpy as np

    from propertyestimator import unit
    from propertyestimator.properties import ParameterGradient
    from propertyestimator.substances import Substance
    from propertyestimator.utils.exceptions import PropertyEstimatorException
    from propertyestimator.utils.quantities import EstimatedQuantity
    from propertyestimator.workflow.decorators import (
        UNDEFINED,
        protocol_input,
        protocol_output,
    )
    from propertyestimator.workflow.plugins import register_calculation_protocol
    from propertyestimator.workflow.protocols import BaseProtocol

    @register_calculation_protocol()
    class AddValues(BaseProtocol):
        """A protocol to add together a list of values.

        Notes
        -----
        The `values` input must either be a list of unit.Quantity, a ProtocolPath to a list
        of unit.Quantity, or a list of ProtocolPath which each point to a unit.Quantity.
        """

        values = protocol_input(
            docstring="The values to add together.", type_hint=list, default_value=UNDEFINED
        )

        result = protocol_output(
            docstring="The sum of the values.",
            type_hint=typing.Union[
                int, float, EstimatedQuantity, unit.Quantity, ParameterGradient
            ],
        )

        def execute(self, directory, available_resources):

            if len(self.values) < 1:
                return PropertyEstimatorException(
                    directory, "There were no gradients to add together"
                )

            if not all(isinstance(x, type(self.values[0])) for x in self.values):

                return PropertyEstimatorException(
                    directory,
                    f"All values to add together must be "
                    f'the same type ({" ".join(map(str, self.values))}).',
                )

            self.result = self.values[0]

            for value in self.values[1:]:
                self.result += value

            return self._get_output_dictionary()

    @register_calculation_protocol()
    class SubtractValues(BaseProtocol):
        """A protocol to subtract one value from another such that:

        `result = value_b - value_a`
        """

        value_a = protocol_input(
            docstring="`value_a` in the formula `result` = `value_b` - `value_a`.",
            type_hint=typing.Union[
                int, float, unit.Quantity, EstimatedQuantity, ParameterGradient
            ],
            default_value=UNDEFINED,
        )
        value_b = protocol_input(
            docstring="`value_b` in the formula `result` = `value_b` - `value_a`.",
            type_hint=typing.Union[
                int, float, unit.Quantity, EstimatedQuantity, ParameterGradient
            ],
            default_value=UNDEFINED,
        )

        result = protocol_output(
            docstring="The results of `value_b` - `value_a`.",
            type_hint=typing.Union[
                int, float, EstimatedQuantity, unit.Quantity, ParameterGradient
            ],
        )

        def execute(self, directory, available_resources):

            self.result = self.value_b - self.value_a
            return self._get_output_dictionary()

    @register_calculation_protocol()
    class MultiplyValue(BaseProtocol):
        """A protocol which multiplies a value by a specified scalar
        """

        value = protocol_input(
            docstring="The value to multiply.",
            type_hint=typing.Union[
                int, float, unit.Quantity, EstimatedQuantity, ParameterGradient
            ],
            default_value=UNDEFINED,
        )
        multiplier = protocol_input(
            docstring="The scalar to multiply by.",
            type_hint=typing.Union[int, float, unit.Quantity],
            default_value=UNDEFINED,
        )

        result = protocol_output(
            docstring="The result of the multiplication.",
            type_hint=typing.Union[
                int, float, EstimatedQuantity, unit.Quantity, ParameterGradient
            ],
        )

        def execute(self, directory, available_resources):

            if isinstance(self.value, EstimatedQuantity):

                self.result = EstimatedQuantity(
                    self.value.value * self.multiplier,
                    self.value.uncertainty * self.multiplier,
                    *self.value.sources,
                )

            else:

                self.result = self.value * self.multiplier

            return self._get_output_dictionary()

    @register_calculation_protocol()
    class DivideValue(BaseProtocol):
        """A protocol which divides a value by a specified scalar
        """

        value = protocol_input(
            docstring="The value to divide.",
            type_hint=typing.Union[
                int, float, unit.Quantity, EstimatedQuantity, ParameterGradient
            ],
            default_value=UNDEFINED,
        )
        divisor = protocol_input(
            docstring="The scalar to divide by.",
            type_hint=typing.Union[int, float, unit.Quantity],
            default_value=UNDEFINED,
        )

        result = protocol_output(
            docstring="The result of the division.",
            type_hint=typing.Union[
                int, float, EstimatedQuantity, unit.Quantity, ParameterGradient
            ],
        )

        def execute(self, directory, available_resources):

            self.result = self.value / self.divisor
            return self._get_output_dictionary()

    @register_calculation_protocol()
    class WeightByMoleFraction(BaseProtocol):
        """Multiplies a value by the mole fraction of a component
        in a `Substance`.
        """

        value = protocol_input(
            docstring="The value to be weighted.",
            type_hint=typing.Union[
                float, int, EstimatedQuantity, unit.Quantity, ParameterGradient
            ],
            default_value=UNDEFINED,
        )

        component = protocol_input(
            docstring="The component whose mole fraction to weight by.",
            type_hint=Substance,
            default_value=UNDEFINED,
        )
        full_substance = protocol_input(
            docstring="The full substance which describes the mole fraction of the component.",
            type_hint=Substance,
            default_value=UNDEFINED,
        )

        weighted_value = protocol_output(
            "The value weighted by the `component`s mole fraction as determined from the "
            "`full_substance`.",
            type_hint=typing.Union[
                float, int, EstimatedQuantity, unit.Quantity, ParameterGradient
            ],
        )

        def _weight_values(self, mole_fraction):
            """Weights a value by a components mole fraction.

            Parameters
            ----------
            mole_fraction: float
                The mole fraction to weight by.

            Returns
            -------
            float, int, EstimatedQuantity, unit.Quantity, ParameterGradient
                The weighted value.
            """
            return self.value * mole_fraction

        def execute(self, directory, available_resources):

            assert len(self.component.components) == 1

            main_component = self.component.components[0]
            amounts = self.full_substance.get_amounts(main_component)

            if len(amounts) != 1:

                return PropertyEstimatorException(
                    directory=directory,
                    message=f"More than one type of amount was defined for component "
                    f"{main_component}. Only a single mole fraction must be "
                    f"defined.",
                )

            amount = next(iter(amounts))

            if not isinstance(amount, Substance.MoleFraction):

                return PropertyEstimatorException(
                    directory=directory,
                    message=f"The component {main_component} was given as an "
                    f"exact amount, and not a mole fraction",
                )

            self.weighted_value = self._weight_values(amount.value)
            return self._get_output_dictionary()

    @register_calculation_protocol()
    class FilterSubstanceByRole(BaseProtocol):
        """A protocol which takes a substance as input, and returns a substance which only
        contains components whose role match a given criteria.
        """

        input_substance = protocol_input(
            docstring="The substance to filter.",
            type_hint=Substance,
            default_value=UNDEFINED,
        )

        component_role = protocol_input(
            docstring="The role to filter substance components against.",
            type_hint=Substance.ComponentRole,
            default_value=UNDEFINED,
        )

        expected_components = protocol_input(
            docstring="The number of components expected to remain after filtering. "
            "An exception is raised if this number is not matched.",
            type_hint=int,
            default_value=UNDEFINED,
            optional=True,
        )

        filtered_substance = protocol_output(
            docstring="The filtered substance.", type_hint=Substance
        )

        def execute(self, directory, available_resources):

            filtered_components = []
            total_mole_fraction = 0.0

            for component in self.input_substance.components:

                if component.role != self.component_role:
                    continue

                filtered_components.append(component)

                amounts = self.input_substance.get_amounts(component)

                for amount in amounts:

                    if not isinstance(amount, Substance.MoleFraction):
                        continue

                    total_mole_fraction += amount.value

            if self.expected_components != UNDEFINED and self.expected_components != len(
                filtered_components
            ):

                return PropertyEstimatorException(
                    directory=directory,
                    message=f"The filtered substance does not contain the expected "
                    f"number of components ({self.expected_components}) - "
                    f"{filtered_components}",
                )

            inverse_mole_fraction = (
                1.0 if np.isclose(total_mole_fraction, 0.0) else 1.0 / total_mole_fraction
            )

            self.filtered_substance = Substance()

            for component in filtered_components:

                amounts = self.input_substance.get_amounts(component)

                for amount in amounts:

                    if isinstance(amount, Substance.MoleFraction):
                        amount = Substance.MoleFraction(
                            amount.value * inverse_mole_fraction
                        )

                    self.filtered_substance.add_component(component, amount)

            return self._get_output_dictionary()