flake//yapf

import os 

import unittest

import numpy as np

from deepchem.trans.transformers import RxnSplitTransformer

reactions: np.ndarray = np.array(["CC(C)C[Mg+].CON(C)C(=O)c1ccc(O)nc1>C1CCOC1.[Cl-]>CC(C)CC(=O)c1ccc(O)nc1",

reactions: np.ndarray = np.array(

    [

        "CC(C)C[Mg+].CON(C)C(=O)c1ccc(O)nc1>C1CCOC1.[Cl-]>CC(C)CC(=O)c1ccc(O)nc1",

        "CN.O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1>O>CNc1ccc(C(=O)O)cc1[N+](=O)[O-]",

"CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(N)cc3)cc21.O=CO>>CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(NC=O)cc3)cc21"], dtype=object)

        "CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(N)cc3)cc21.O=CO>>CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(NC=O)cc3)cc21"

    ],

    dtype=object)

sep_split = (np.array([['CC(C)C[Mg+].CON(C)C(=O)c1ccc(O)nc1>C1CCOC1.[Cl-]',

        'CC(C)CC(=O)c1ccc(O)nc1'],

       ['CN.O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1>O',

        'CNc1ccc(C(=O)O)cc1[N+](=O)[O-]'],

       ['CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(N)cc3)cc21.O=CO>',

        'CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(NC=O)cc3)cc21']], dtype='<U51'), [], [], [])

# sep_split: Tuple[np.ndarray, ...] = (np.array([['CC(C)C[Mg+].CON(C)C(=O)c1ccc(O)nc1>C1CCOC1.[Cl-]',

#        'CC(C)CC(=O)c1ccc(O)nc1'],

#       ['CN.O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1>O',

#        'CNc1ccc(C(=O)O)cc1[N+](=O)[O-]'],

#       ['CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(N)cc3)cc21.O=CO>',

#        'CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(NC=O)cc3)cc21']], dtype='<U51'), [], [], [])

class TestRxnSplitTransformer(unittest.TestCase):

    trans = RxnSplitTransformer(sep_reagent=True)

    split_reactions = trans.transform_array(X=reactions, y=[], w=[], ids=[])

    assert split_reactions[0].shape == (3, 2)

    # Should check for equality of split_reactions and sep_split!

  # def test_mixing(self):

  #    """

  #    Tests the reagent - reactant mixing option.

  #    """

  # WIP

  #    pass