public void UpdateN2OXtoNPOX() { int[] cycle = new int[] { 2, 4, 3, 1, 0, 5, 2 }; string[] symbs = new string[10]; Arrays.Fill(symbs, ""); symbs[cycle[1]] = "N2OX"; MmffAromaticTypeMapping.UpdateAromaticTypesInSixMemberRing(cycle, symbs); Assert.AreEqual("NPOX", symbs[cycle[1]]); }
public void UpdateCStarToCB() { int[] cycle = new int[] { 2, 4, 3, 1, 0, 5, 2 }; string[] symbs = new string[10]; Arrays.Fill(symbs, ""); symbs[cycle[1]] = "C=C"; symbs[cycle[2]] = "C=N"; MmffAromaticTypeMapping.UpdateAromaticTypesInSixMemberRing(cycle, symbs); Assert.AreEqual("CB", symbs[cycle[1]]); Assert.AreEqual("CB", symbs[cycle[2]]); }
public void UpdateToNPDPlus() { int[] cycle = new int[] { 2, 4, 3, 1, 0, 5, 2 }; string[] symbs = new string[10]; Arrays.Fill(symbs, ""); symbs[cycle[1]] = "NCN+"; symbs[cycle[2]] = "N+=C"; symbs[cycle[3]] = "N=+C"; MmffAromaticTypeMapping.UpdateAromaticTypesInSixMemberRing(cycle, symbs); Assert.AreEqual("NPD+", symbs[cycle[1]]); Assert.AreEqual("NPD+", symbs[cycle[2]]); Assert.AreEqual("NPD+", symbs[cycle[3]]); }