def test__join(): """ test inchi.join """ assert (inchi.standard_form(inchi.join( inchi.split(C4H10ZN_ICH))) == C4H10ZN_ICH) assert (inchi.standard_form(inchi.join( inchi.split(C4H5F2O_ICH))) == C4H5F2O_ICH) ich = ('InChI=1S/C3H7O4.C2H5FO/c1-3(7-5)2-6-4;1-2(3)4/' 'h3,5H,2H2,1H3;2,4H,1H3/t3-;2-/m01/s1') assert inchi.standard_form(inchi.join(inchi.split(ich))) == ich
def test__split(): """ test inchi.split """ assert (tuple(map(inchi.standard_form, inchi.split(C4H10ZN_ICH))) == C4H10ZN_ICHS) assert (tuple(map(inchi.standard_form, inchi.split(C4H5F2O_ICH))) == C4H5F2O_ICHS) ich = ('InChI=1S/C3H7O4.C2H5FO/c1-3(7-5)2-6-4;1-2(3)4/' 'h3,5H,2H2,1H3;2,4H,1H3/t3-;2-/m01/s1') assert tuple(map(inchi.standard_form, inchi.split(ich))) == ( 'InChI=1S/C3H7O4/c1-3(7-5)2-6-4/h3,5H,2H2,1H3/t3-/m0/s1', 'InChI=1S/C2H5FO/c1-2(3)4/h2,4H,1H3/t2-/m1/s1')