def test_inchi_p_layer_zero_lp(self):
"""
Test that the p-layer containing an element with zero lone
pairs can be read correctly.
"""
string = 'InChI=1S/XXXX/cXXX/hXXX/lp1(0)'
_, _, p_indices = decompose_aug_inchi(string)
self.assertEquals([(1, 0)], p_indices)
def test_inchi_u_layer_p_layer(self):
string = 'InChI=1S/XXXX/cXXX/hXXX/u1,2/lp3,4'
_, u_indices, p_indices = decompose_aug_inchi(string)
self.assertEquals([1, 2], u_indices)
self.assertEquals([3, 4], p_indices)
def test_inchi_u_layer(self):
string = 'InChI=1S/XXXX/cXXX/hXXX/u1,2'
_, u_indices, _ = decompose_aug_inchi(string)
self.assertEquals([1, 2], u_indices)
def test_inchi_p_layer(self):
string = 'InChI=1S/XXXX/cXXX/hXXX/lp1,2'
_, _, p_indices = decompose_aug_inchi(string)
self.assertEquals([1, 2], p_indices)
def test_inchi(self):
string = 'InChI=1S/XXXX/cXXX/hXXX'
_, u_indices, _ = decompose_aug_inchi(string)
self.assertEquals([], u_indices)