public void UseMappingWhenNeitherFlagIsRaised()
{
var map = new Dictionary <string, string>()
{
{ "N=C", "N5A" }
};
Assert.AreEqual("N5A", MmffAromaticTypeMapping.GetAromaticType(map, 'A', "N=C", false, false));
}
public void AnionCarbonTypesAreNeitherAlphaOrBeta()
{
var map = new Dictionary <string, string>()
{
{ "CB", "C5A" }
};
Assert.AreEqual("C5", MmffAromaticTypeMapping.GetAromaticType(map, 'A', "CB", false, true));
}
public void AnionNitrogensAreAlwaysN5M()
{
var map = new Dictionary <string, string>()
{
{ "N=C", "N5A" }
};
Assert.AreEqual("N5M", MmffAromaticTypeMapping.GetAromaticType(map, 'A', "N=C", false, true));
}
public void ImidazoleNitrogenTypesAreNeitherAlphaOrBeta()
{
var map = new Dictionary <string, string>()
{
{ "N=C", "N5A" }
};
Assert.AreEqual("N5", MmffAromaticTypeMapping.GetAromaticType(map, 'A', "N=C", true, false));
}
