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Ensure we can read in the diazene InChI
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johnmay committed Jul 24, 2017
1 parent 89e9b44 commit 190f477
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Expand Up @@ -231,4 +231,13 @@ public void s_penta_2_3_diene() throws Exception {
assertThat(element.focus(), is(container.getAtom(4)));
assertThat(element.winding(), is(ITetrahedralChirality.Stereo.CLOCKWISE));
}

@Test
public void diazene() throws Exception {
InChIToStructure parse = new InChIToStructure("InChI=1S/H2N2/c1-2/h1-2H/b2-1+",
SilentChemObjectBuilder.getInstance());
IAtomContainer mol = parse.getAtomContainer();
assertThat(mol.getAtomCount(), is(4));
assertThat(mol.stereoElements().iterator().hasNext(), is(true));
}
}

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