from django.test import TestCase

from epdb.logic import PackageManager
from epdb.models import Compound, User, CompoundStructure


class CompoundTest(TestCase):
    fixtures = ["test_fixture.json.gz"]

    def setUp(self):
        pass

    @classmethod
    def setUpClass(cls):
        super(CompoundTest, cls).setUpClass()
        cls.user = User.objects.get(username='anonymous')
        cls.package = PackageManager.create_package(cls.user, 'Anon Test Package', 'No Desc')

    @classmethod
    def tearDownClass(cls):
        pass

    def tearDown(self):
        pass

    def test_smoke(self):
        c = Compound.create(
            self.package,
            smiles='C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F',
            name='Afoxolaner',
            description='No Desc'
        )

        self.assertEqual(c.default_structure.smiles,
                         'C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F')
        self.assertEqual(c.name, 'Afoxolaner')
        self.assertEqual(c.description, 'No Desc')

    def test_missing_smiles(self):
        with self.assertRaises(ValueError):
            _ = Compound.create(
                self.package,
                smiles=None,
                name='Afoxolaner',
                description='No Desc'
            )

        with self.assertRaises(ValueError):
            _ = Compound.create(
                self.package,
                smiles='',
                name='Afoxolaner',
                description='No Desc'
            )

    def test_smiles_are_trimmed(self):
        c = Compound.create(
            self.package,
            smiles='   C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F   ',
            name='Afoxolaner',
            description='No Desc'
        )

        self.assertEqual(c.default_structure.smiles,
                         'C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F')

    def test_name_and_description_optional(self):
        c = Compound.create(
            self.package,
            smiles='C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F',
        )

        self.assertEqual(c.name, 'no name')
        self.assertEqual(c.description, 'no description')

    def test_empty_name_and_description_are_ignored(self):
        c = Compound.create(
            self.package,
            smiles='C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F',
            name='',
            description='',
        )

        self.assertEqual(c.name, 'no name')
        self.assertEqual(c.description, 'no description')

    def test_deduplication(self):
        c1 = Compound.create(
            self.package,
            smiles='C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F',
            name='Afoxolaner',
            description='No Desc'
        )

        c2 = Compound.create(
            self.package,
            smiles='C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F',
            name='Afoxolaner',
            description='No Desc'
        )

        # Check if create detects that this Compound already exist
        # In this case the existing object should be returned
        self.assertEqual(c1.pk, c2.pk)
        self.assertEqual(len(self.package.compounds), 1)

    def test_wrong_smiles(self):
        with self.assertRaises(ValueError):
            _ = Compound.create(
                self.package,
                smiles='C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F',
                name='Afoxolaner',
                description='No Desc'
            )

    def test_create_with_standardized_smiles(self):
        c = Compound.create(
            self.package,
            smiles='O=C(O)C1=CC=C([N+](=O)[O-])C=C1',
            name='Standardized SMILES',
            description='No Desc'
        )
        self.assertEqual(len(c.structures.all()), 1)

        cs = c.structures.all()[0]
        self.assertEqual(cs.normalized_structure, True)
        self.assertEqual(cs.smiles, 'O=C(O)C1=CC=C([N+](=O)[O-])C=C1')

    def test_create_with_non_standardized_smiles(self):
        c = Compound.create(
            self.package,
            smiles='[O-][N+](=O)c1ccc(C(=O)[O-])cc1',
            name='Non Standardized SMILES',
            description='No Desc'
        )

        self.assertEqual(len(c.structures.all()), 2)
        for cs in c.structures.all():
            if cs.normalized_structure:
                self.assertEqual(cs.smiles, 'O=C(O)C1=CC=C([N+](=O)[O-])C=C1')
                break
        else:
            # Loop finished without break, lets fail...
            self.assertEqual(1, 2)

    def test_add_structure_smoke(self):
        c = Compound.create(
            self.package,
            smiles='O=C(O)C1=CC=C([N+](=O)[O-])C=C1',
            name='Standardized SMILES',
            description='No Desc'
        )

        c.add_structure('[O-][N+](=O)c1ccc(C(=O)[O-])cc1', 'Non Standardized SMILES')

        self.assertEqual(len(c.structures.all()), 2)

    def test_add_structure_with_different_normalized_smiles(self):
        c = Compound.create(
            self.package,
            smiles='O=C(O)C1=CC=C([N+](=O)[O-])C=C1',
            name='Standardized SMILES',
            description='No Desc'
        )

        with self.assertRaises(ValueError):
            c.add_structure(
                'C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F',
                'Different Standardized SMILES')

    def test_delete(self):
        c = Compound.create(
            self.package,
            smiles='O=C(O)C1=CC=C([N+](=O)[O-])C=C1',
            name='Standardization Test',
            description='No Desc'
        )

        c.delete()

        self.assertEqual(Compound.objects.filter(package=self.package).count(), 0)
        self.assertEqual(CompoundStructure.objects.filter(compound__package=self.package).count(), 0)

    def test_set_as_default_structure(self):
        c1 = Compound.create(
            self.package,
            smiles='O=C(O)C1=CC=C([N+](=O)[O-])C=C1',
            name='Standardized SMILES',
            description='No Desc'
        )
        default_structure = c1.default_structure

        c2 = c1.add_structure('[O-][N+](=O)c1ccc(C(=O)[O-])cc1', 'Non Standardized SMILES')

        c1.set_default_structure(c2)
        self.assertNotEqual(default_structure, c2)