private string FindSubChainPart(string line)
{
List <string> subGroupNames = CarbonSubChain.GetAllNames();
string subGroupName = UtilStrings.FindPattern(line, subGroupNames, UtilStrings.SearchDirection.Backward);
return(subGroupName);
}
public Group(string locationsline, string nameline)
{
if ((nameline.StartsWith(Constants.StartBracket, StringComparison.OrdinalIgnoreCase)) && (nameline.EndsWith(Constants.EndBracket, StringComparison.OrdinalIgnoreCase)))
{
nameline = nameline.TrimStart("(".ToCharArray());
nameline = nameline.TrimEnd(")".ToCharArray());
int locationOnParent = Convert.ToInt16(locationsline);
IUPACCompound compound = new IUPACCompound(locationOnParent, nameline);
Formulas = new List <Formula>();
Formulas.Add(compound.Formula);
}
else
{
List <string> locations = locationsline.Split(",".ToCharArray()).ToList();
string chainName = MultiplyingAffix.RemoveMultiplyingAffixName(nameline);
int chainLength = CarbonSubChain.FindSubChainLength(chainName);
Formulas = new List <Formula>();
foreach (string location in locations)
{
Formula formula = new Formula(Convert.ToInt16(location), chainName);
Formulas.Add(formula);
}
}
}
public IUPACCompound(int locationOnParent, string name)
{
string chainDescription = FindSubChainPart(name);
int chainLength = CarbonSubChain.FindSubChainLength(chainDescription);
string remaining = UtilStrings.RemoveAtEnd(name, chainDescription);
List <int> doubleBondLocations, tripleBondLocations;
GetDoubleAndTripleBondLocations(name, out doubleBondLocations, out tripleBondLocations);
Formula = new Formula(Enums.ChainTypes.Straight, locationOnParent, chainLength, doubleBondLocations, tripleBondLocations, remaining);
}
public static List <CarbonSubChain> GetAllSubChains()
{
List <CarbonSubChain> subChains = new List <CarbonSubChain>();
for (int counter = 1; counter <= Constants.MaxChainlength; counter++)
{
CarbonSubChain subChain = new CarbonSubChain(counter);
subChains.Add(subChain);
}
return(subChains.OrderByDescending(c => c.Name.Length).ToList());
}
public Formula(int location, string subchainname)
{
ChainType = Enums.ChainTypes.Straight;
LocationOnParent = location;
Length = CarbonSubChain.FindSubChainLength(subchainname);
//no double and triplebondlocations in subchains
DoubleBondLocations = new List <int>();
TripleBondLocations = new List <int>();
SubFormulas = new List <Formula>();
}
