public AtomTree Build(string molecul)
{
var moleculChars = molecul.ToCharArray();
var oppeningBracketsPositions = GetOpenningsBracketsPositions(moleculChars);
return(AtomTree.FromMultiplier(1,
GetChilds(moleculChars, 0, molecul.Length - 1, oppeningBracketsPositions)));
}
private AtomTree GetAtomTree(char[] chars, ref int current, int?multiplier)
{
var atomName = GetAtomName(chars, ref current);
var atomTree = AtomTree.FromAtomName(atomName);
return(multiplier.HasValue
? AtomTree.FromMultiplier(multiplier.Value, new[] { atomTree })
: atomTree);
}
private AtomTree[] GetChilds(char[] chars, int from, int to, Dictionary <int, int> openningBracketsPositions)
{
var current = to;
int?multiplier = null;
var childs = new List <AtomTree>();
while (current >= from)
{
if (Char.IsDigit(chars[current]))
{
multiplier = GetMultiplier(chars, ref current);
continue;
}
var currentMultiplierValue = multiplier;
multiplier = null;
if (openningBracketsPositions.ContainsKey(current))
{
var openningBracketIndex = openningBracketsPositions[current];
var child = AtomTree.FromMultiplier(currentMultiplierValue ?? 1,
GetChilds(chars, openningBracketIndex + 1, current - 1,
openningBracketsPositions));
current = openningBracketIndex - 1;
childs.Add(child);
continue;
}
if (Char.IsLetter(chars[current]))
{
childs.Add(GetAtomTree(chars, ref current, currentMultiplierValue));
continue;
}
current--;
}
return(childs.ToArray());
}
private Dictionary <string, int> FillDictionary(AtomTree tree, int multiplier, Dictionary <string, int> dictionary)
{
if (!String.IsNullOrEmpty(tree.Atom))
{
if (dictionary.ContainsKey(tree.Atom))
{
dictionary[tree.Atom] += multiplier;
return(dictionary);
}
dictionary.Add(tree.Atom, multiplier);
return(dictionary);
}
multiplier *= tree.Multiplier;
foreach (var child in tree.Childs)
{
FillDictionary(child, multiplier, dictionary);
}
return(dictionary);
}
private AtomTree(string atom)
{
Atom = atom;
Childs = new AtomTree[0];
}
public Dictionary <string, int> ToDictionary(AtomTree tree)
{
var result = new Dictionary <string, int>();
return(FillDictionary(tree, 1, result));
}
