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]]);
}
