# Path: mordred/SLogP.py
# class SMR(WildmanCrippenBase):
#     r"""Wildman-Crippen MR descriptor(rdkit wrapper)."""
# 
#     since = "1.0.0"
#     __slots__ = ()
# 
#     def description(self):
#         return "Wildman-Crippen MR"
# 
#     def calculate(self):
#         return Crippen.MolMR(self.mol)
# 
# class SLogP(WildmanCrippenBase):
#     r"""Wildman-Crippen LogP descriptor(rdkit wrapper)."""
# 
#     since = "1.0.0"
#     __slots__ = ()
# 
#     def description(self):
#         return "Wildman-Crippen LogP"
# 
#     def calculate(self):
#         return Crippen.MolLogP(self.mol)


from rdkit import Chem
from numpy.testing import assert_almost_equal
from mordred.SLogP import SMR, SLogP



def test_WildmanCrippen1():
    mol = Chem.MolFromSmiles("Oc1ccccc1OC")
    yield assert_almost_equal, SLogP()(mol), 1.4, 2
    yield assert_almost_equal, SMR()(mol), 34.66, 2


def test_WildmanCrippen2():
    mol = Chem.MolFromSmiles("c1ccccc1c2ccccn2")

# Path: mordred/SLogP.py
# class SMR(WildmanCrippenBase):
#     r"""Wildman-Crippen MR descriptor(rdkit wrapper)."""
# 
#     since = "1.0.0"
#     __slots__ = ()
# 
#     def description(self):
#         return "Wildman-Crippen MR"
# 
#     def calculate(self):
#         return Crippen.MolMR(self.mol)
# 
# class SLogP(WildmanCrippenBase):
#     r"""Wildman-Crippen LogP descriptor(rdkit wrapper)."""
# 
#     since = "1.0.0"
#     __slots__ = ()
# 
#     def description(self):
#         return "Wildman-Crippen LogP"
# 
#     def calculate(self):
#         return Crippen.MolLogP(self.mol)


# Path: mordred/tests/test_SLogP.py
from rdkit import Chem
from numpy.testing import assert_almost_equal
from mordred.SLogP import SMR, SLogP




def test_WildmanCrippen1():
    mol = Chem.MolFromSmiles("Oc1ccccc1OC")
    yield assert_almost_equal, SLogP()(mol), 1.4, 2
    yield assert_almost_equal, SMR()(mol), 34.66, 2


def test_WildmanCrippen2():
    mol = Chem.MolFromSmiles("c1ccccc1c2ccccn2")

    yield assert_almost_equal, SLogP()(mol), 2.75, 2