"""
Stochastic Universal Sampling
=============================

"""

import numpy as np

from stk.molecular import Inchi

from .selector import Selector


class StochasticUniversalSampling(Selector):
    """
    Yields batches of molecules through stochastic universal sampling.

    Stochastic universal sampling lays out batches along a line, with
    each batch taking up length proportional to its fitness. It
    then creates a set of evenly spaced pointers to different points
    on the line, each of which is occupied by a batch. Batches which
    are pointed to are yielded.

    This approach means weaker members of the population
    are given a greater chance to be chosen than in
    :class:`.Roulette` selection [#]_.

    References
    ----------
    .. [#] https://en.wikipedia.org/wiki/Stochastic_universal_sampling

    Examples
    --------
    *Yielding Single Molecule Batches*

    Yielding molecules one at a time. For example, if molecules need
    to be selected for mutation or the next generation.

    .. testcode:: yielding-single-molecule-batches

        import stk

        # Make the selector.
        stochastic_sampling = stk.StochasticUniversalSampling(5)

        population = tuple(
            stk.MoleculeRecord(
                topology_graph=stk.polymer.Linear(
                    building_blocks=(
                        stk.BuildingBlock(
                            smiles='BrCCBr',
                            functional_groups=[stk.BromoFactory()],
                        ),
                    ),
                    repeating_unit='A',
                    num_repeating_units=2,
                ),
            ).with_fitness_value(i)
            for i in range(100)
        )

        # Select the molecules.
        for selected, in stochastic_sampling.select(population):
            # Do stuff with each selected molecule.
            pass

    """

    def __init__(
        self,
        num_batches=None,
        batch_size=1,
        duplicate_molecules=True,
        duplicate_batches=True,
        key_maker=Inchi(),
        fitness_modifier=None,
        random_seed=None,
    ):
        """
        Initialize a :class:`.StochasticUniversalSampling` instance.

        Parameters
        ----------
        num_batches : :class:`int`, optional
            The number of batches to yield. If ``None`` then yielding
            will continue forever or until the generator is exhausted,
            whichever comes first.

        batch_size : :class:`int`, optional
            The number of molecules yielded at once.

        duplicate_molecules : :class:`bool`, optional
            If ``True`` the same molecule can be yielded in more than
            one batch.

        duplicate_batches : :class:`bool`, optional
            If ``True`` the same batch can be yielded more than once.

        key_maker : :class:`.MoleculeKeyMaker`, optional
            Used to get the keys of molecules. If two molecules have
            the same key, they are considered duplicates.

        fitness_modifier : :class:`callable`, optional
            Takes the `population` on which :meth:`.select` is called
            and returns a :class:`dict`, which maps records in the
            `population` to the fitness values the :class:`.Selector`
            should use. If ``None``, the regular fitness values of the
            records are used.

        random_seed : :class:`int`, optional
            The random seed to use.

        """

        if fitness_modifier is None:
            fitness_modifier = self._get_fitness_values

        if num_batches is None:
            num_batches = float("inf")

        self._generator = np.random.RandomState(random_seed)
        self._duplicate_molecules = duplicate_molecules
        self._duplicate_batches = duplicate_batches
        self._num_batches = num_batches
        self._batch_size = batch_size
        super().__init__(
            key_maker=key_maker,
            fitness_modifier=fitness_modifier,
        )

    def _select_from_batches(self, batches, yielded_batches):
        batches = sorted(batches, reverse=True)

        # SUS may need to run multiple rounds if duplicate_molecules or
        # duplicate_batches is False. This is because in each round
        # you can generate multiple pointers to the same batch or to
        # batches sharing molecules. If this happens the lower fitness
        # batch will not be yielded. Instead a second round of SUS will
        # occur with any ineligible batches removed and a reduced
        # number of pointers, to account for batches yielded in the
        # previous rounds. This will repeat until the desired number
        # of batches has been yielded, or there are no more valid
        # batches.
        while (
            batches and yielded_batches.get_num() < self._num_batches
        ):
            yield from self._select_with_stochastic_universal_sampling(
                batches=batches,
                yielded_batches=yielded_batches,
            )

            if yielded_batches.get_num() < self._num_batches:
                if not self._duplicate_molecules:
                    batches = filter(
                        yielded_batches.has_no_yielded_molecules,
                        batches,
                    )
                if not self._duplicate_batches:
                    batches = filter(
                        yielded_batches.is_unyielded_batch,
                        batches,
                    )
                if (
                    not self._duplicate_molecules
                    or not self._duplicate_batches
                ):
                    batches = tuple(batches)

    def _select_with_stochastic_universal_sampling(
        self,
        batches,
        yielded_batches,
    ):

        total = sum(batch.get_fitness_value() for batch in batches)
        batch_positions = []
        batch_position = 0
        for batch in batches:
            batch_position += batch.get_fitness_value() / total
            batch_positions.append(batch_position)

        num_batches = min(
            self._num_batches - yielded_batches.get_num(), len(batches)
        )
        pointer_distance = 1 / num_batches
        pointers = []
        pointer = self._generator.uniform(0, pointer_distance)
        for i in range(num_batches):
            pointers.append(pointer)
            pointer += pointer_distance

        batch_index = 0
        for pointer in pointers:
            while pointer > batch_positions[batch_index]:
                batch_index += 1

            batch = batches[batch_index]

            if (
                not self._duplicate_molecules
                and yielded_batches.has_yielded_molecules(batch)
            ):
                continue

            if (
                not self._duplicate_batches
                and yielded_batches.is_yielded_batch(batch)
            ):
                continue

            yield batch
