from django.test import TestCase

from epdb.models import ParallelRule
from utilities.ml import Compound, Reaction, DatasetGenerator


class CompoundTest(TestCase):

    def setUp(self):
        self.c1 = Compound(smiles="CCN(CC)C(=O)C1=CC(=CC=C1)C", uuid='c1')
        self.c2 = Compound(smiles="CCN(CC)C(=O)C1=CC(=CC=C1)C", uuid='c2')

    def test_compound_eq_ignores_uuid(self):
        self.assertEqual(self.c1, self.c2)


class ReactionTest(TestCase):

    def setUp(self):
        self.c1 = Compound(smiles="CCN(CC)C(=O)C1=CC(=CC=C1)C")
        self.c2 = Compound(smiles="CCN(CCO)C(=O)C1=CC(C)=CC=C1")
        # self.r1 = Rule(uuid="bt0334")
        # c1 --r1--> c2
        self.c3_1 = Compound(smiles="CCNC(=O)C1=CC(C)=CC=C1")
        self.c3_2 = Compound(smiles="CC=O")
        # self.r2 = Rule(uuid="bt0243")
        # c1 --r2--> c3_1, c3_2

    def test_reaction_equality_ignores_uuid(self):
        r1 = Reaction([self.c1], [self.c2], self.r1, uuid="abc")
        r2 = Reaction([self.c1], [self.c2], self.r1, uuid="xyz")
        self.assertEqual(r1, r2)

    def test_reaction_inequality_on_data_change(self):
        r1 = Reaction([self.c1], [self.c2], self.r1)
        r2 = Reaction([self.c1], [self.c3_1], self.r1)
        self.assertNotEqual(r1, r2)

    def test_reaction_is_hashable(self):
        r = Reaction([self.c1], [self.c2], self.r1)
        reactions = {r}
        self.assertIn(Reaction([self.c1], [self.c2], self.r1), reactions)

    def test_rule_is_optional(self):
        r = Reaction([self.c1], [self.c2])
        self.assertIsNone(r.rule)

    def test_uuid_is_optional(self):
        r = Reaction([self.c1], [self.c2], self.r1)
        self.assertIsNone(r.uuid)

    def test_repr_includes_uuid(self):
        r = Reaction([self.c1], [self.c2], self.r1, uuid="abc")
        self.assertIn("abc", repr(r))

    def test_reaction_equality_with_multiple_compounds_different_ordering(self):
        r1 = Reaction([self.c1], [self.c3_1, self.c3_2], self.r2)
        r2 = Reaction([self.c1], [self.c3_2, self.c3_1], self.r2)

        self.assertEqual(r1, r2, "Reaction equality should not rely on list order")


class RuleTest(TestCase):

    def setUp(self):
        pass
        # self.r1 = Rule(uuid="bt0334")
        # self.r2 = Rule(uuid="bt0243")


class DatasetGeneratorTest(TestCase):
    fixtures = ['bootstrap.json']

    def setUp(self):
        self.c1 = Compound(smiles="CCN(CC)C(=O)C1=CC(=CC=C1)C")
        self.c2 = Compound(smiles="CCN(CCO)C(=O)C1=CC(C)=CC=C1")
        self.c3_1 = Compound(smiles="CCNC(=O)C1=CC(C)=CC=C1")
        self.c3_2 = Compound(smiles="CC=O")

        # self.r1 = Rule(uuid="bt0334") # trig
        # self.r2 = Rule(uuid="bt0243") # trig
        # self.r3 = Rule(uuid="bt0003") # no trig

        self.reaction1 = Reaction([self.c1], [self.c2], self.r3)
        self.reaction2 = Reaction([self.c1], [self.c3_1, self.c3_2], self.r2)




    def test_test(self):
        compounds = [
            self.c1,
            self.c2,
            self.c3_1,
            self.c3_2,
        ]

        reactions = [
            self.reaction1,
            self.reaction2,
        ]

        applicable_rules = [
            # Rule('bt0334', ParallelRule.objects.get(name='bt0334')),
            # Rule('bt0243', ParallelRule.objects.get(name='bt0243')),
            # Rule('bt0003', ParallelRule.objects.get(name='bt0003')),
        ]

        ds = DatasetGenerator.generate_dataset(compounds, reactions, applicable_rules)

        self.assertIsNotNone(ds)