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 string RemoveMultiplyingAffixName(string line)
{
List <string> affixNames = GetAllNames();
string affixName = UtilStrings.FindPattern(line, affixNames, UtilStrings.SearchDirection.Forward);
if (!String.IsNullOrEmpty(affixName))
{
return(UtilStrings.RemoveAtStart(line, affixName));
}
else
{
return(line);
}
}