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Correct test output, 1 unpaired electron = RAD 2 (doublet)
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johnmay committed Oct 9, 2016
1 parent 02872f8 commit 1f1e7e2
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Original file line number Diff line number Diff line change
Expand Up @@ -97,7 +97,7 @@ public void outputRadical() throws IOException, CDKException {
mol.getAtom(0).setImplicitHydrogenCount(3);
mol.addSingleElectron(0);
String res = writeToStr(mol);
assertThat(res, CoreMatchers.containsString("M V30 1 C 0 0 0 0 RAD=1 VAL=3\n"));
assertThat(res, CoreMatchers.containsString("M V30 1 C 0 0 0 0 RAD=2 VAL=3\n"));
}

@Test(expected = CDKException.class)
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