public IUPACCompound(string iupacName)
{
string mainChainDescription = FindMainChainPart(iupacName);
Enums.ChainTypes chaintype;
if (mainChainDescription.StartsWith("cyclo"))
{
chaintype = Enums.ChainTypes.Cyclo;
mainChainDescription = UtilStrings.RemoveAtStart(mainChainDescription, "cyclo");
}
else
{
chaintype = Enums.ChainTypes.Straight;
}
int mainChainLength = CarbonMainChain.FindMainChainLength(mainChainDescription);
string remaining;
if (iupacName.Contains(Constants.EndBracket))
{
remaining = UtilStrings.RemoveEverythingAfter(iupacName, Constants.EndBracket);
}
else
{
remaining = UtilStrings.RemoveEverythingAfter(iupacName, Constants.SubChainEnd);
}
List <int> doubleBondLocations, tripleBondLocations;
GetDoubleAndTripleBondLocations(iupacName, out doubleBondLocations, out tripleBondLocations);
Formula = new Formula(chaintype, 0, mainChainLength, doubleBondLocations, tripleBondLocations, remaining);
}
public static List <CarbonMainChain> GetAllMainChains()
{
List <CarbonMainChain> mainChains = new List <CarbonMainChain>();
for (int counter = 1; counter <= Constants.MaxChainlength; counter++)
{
CarbonMainChain mainChain = new CarbonMainChain(counter);
mainChains.Add(mainChain);
}
return(mainChains.OrderByDescending(c => c.Name.Length).ToList());
}
