private static void AddStackToRoot(CompoundStack root, ElementStack stack)
{
foreach (var node in root)
{
if (!(node is ElementStack elementStack) ||
elementStack.Element != stack.Element)
{
continue;
}
elementStack.IncreaseStackSize();
return;
}
root.Nodes.Add(stack);
}
protected override void WriteTree(StringBuilder builder, CompoundStack root)
{
foreach (var node in root)
{
var numberOfAtoms = node.Count > 1 ? node.Count.ToString() : "";
if (node is ElementStack elementStack)
{
builder.Append($"{ elementStack.Element.Symbol }{ numberOfAtoms }");
}
else if (node is CompoundStack compoundStack)
{
builder.Append("(");
WriteTree(builder, compoundStack);
builder.Append(")");
builder.Append(numberOfAtoms);
}
else
{
WriteUnknownStack(builder, node);
}
}
}
protected override void ReadTree(string input, CompoundStack root, ref int currentIndex)
{
if (currentIndex >= input.Length)
{
return;
}
var currentChar = input[currentIndex];
currentIndex++;
var nextChar = currentIndex < input.Length ? input[currentIndex] : char.Parse("@");
if (char.IsUpper(currentChar))
{
if (char.IsLower(nextChar))
{
ReadTree(input, root, ref currentIndex);
return;
}
var numberOfAtoms = 1;
if (nextChar == ')' && currentIndex + 1 < input.Length)
{
if (char.IsNumber(input[currentIndex + 1])) // We can have a number after closing bracket ')
{
currentIndex++;
}
else if (char.IsNumber(input[currentIndex + 2])) // We can have a number after line '|' which is after the closing bracket ')
{
currentIndex += 2;
}
numberOfAtoms = GetFullNumber(input, ref currentIndex);
}
var stack = new ElementStack(currentChar.ToString().ToElement(), numberOfAtoms);
AddStackToRoot(root, stack);
ReadTree(input, root, ref currentIndex);
}
else if (char.IsLower(currentChar))
{
var numberOfAtoms = 1;
var toMoveBack = 1;
if ((nextChar == ')' || nextChar == '|') &&
currentIndex + 1 < input.Length)
{
if (char.IsNumber(input[currentIndex + 1])) // We can have a number after closing bracket ')
{
currentIndex++;
toMoveBack = 3;
}
else if (char.IsNumber(input[currentIndex + 2])) // We can have a number after line '|' which is after the closing bracket ')
{
currentIndex += 2;
toMoveBack = 4;
}
numberOfAtoms = GetFullNumber(input, ref currentIndex);
}
var previousChar = input[currentIndex - numberOfAtoms.ToString().Length - toMoveBack];
var stack = new ElementStack($"{ previousChar }{ currentChar }".ToElement(), numberOfAtoms);
AddStackToRoot(root, stack);
ReadTree(input, root, ref currentIndex);
}
else if (currentChar.Equals('('))
{
var stack = new CompoundStack();
root.Nodes.Add(stack);
InnerStacks.Push(stack);
ReadTree(input, stack, ref currentIndex);
ReadTree(input, InnerStacks.Peek(), ref currentIndex);
}
else if (currentChar.Equals(')'))
{
var numberOfAtoms = 1;
if (char.IsNumber(nextChar))
{
numberOfAtoms = GetFullNumber(input, ref currentIndex);
}
root.IncreaseStackSize(numberOfAtoms);
InnerStacks.Pop();
}
else if (currentChar == '-' || currentChar == '=')
{
// Possible format's of chars next to the '-' or '='
// Where: C - upper char; r - lower char; 0 - number;
// C - (
// ) - C
// C - C
// ) - (
// 0 - (
// 0 - C
// r - (
// For now on it will skip parsing the connections - not supported yet
// There is no support (yet) of how to store the number of connections between atoms
// This is something that will need to be added later on
// TODO: Add support for storing the information about number of connections between atoms
if (char.IsNumber(nextChar))
{
while (input[currentIndex] != '|')
{
currentIndex++;
}
}
ReadTree(input, root, ref currentIndex);
}
else if (currentChar == '|')
{
// Possible format's of chars next to the '|'
// Where: C - upper char; r - lower char; 0 - number;
// C | 0
// r | 0
// 0 | C
// 0 | (
// For now on it will skip parsing the number of connections - not supported yet
// There is no support (yet) of how to store the number of connections between atoms
// This is something that will need to be added later on
// TODO: Add support for storing the information about number of connections between atoms
if (char.IsNumber(nextChar))
{
while (input[currentIndex] != '|')
{
currentIndex++;
}
}
ReadTree(input, root, ref currentIndex);
}
else
{
throw new FormatException($"Unknown char: '{ currentChar }', at position: { currentIndex }");
}
}
protected override void WriteTree(StringBuilder builder, CompoundStack root)
{
throw new NotImplementedException("[W.I.P.] For now on please use CondensedChemicalCompoundParser");
}
/// <summary>
/// Builds a Compound structure tree from given input.
/// </summary>
/// <param name="input"></param>
/// <param name="root"></param>
/// <param name="currentIndex"></param>
protected virtual void ReadTree(string input, CompoundStack root, ref int currentIndex)
{
}
/// <summary>
/// Parses given stack and serializes it into it's string representation.
/// </summary>
/// <param name="builder"></param>
/// <param name="stack"></param>
protected virtual void WriteTree(StringBuilder builder, CompoundStack stack)
{
}
protected override void ReadTree(string input, CompoundStack root, ref int currentIndex)
{
if (currentIndex >= input.Length)
{
return;
}
var currentChar = input[currentIndex];
currentIndex++;
var nextChar = currentIndex < input.Length ? input[currentIndex] : char.Parse("@");
if (char.IsUpper(currentChar))
{
if (char.IsLower(nextChar))
{
ReadTree(input, root, ref currentIndex);
return;
}
var numberOfAtoms = 1;
if (char.IsNumber(nextChar))
{
numberOfAtoms = GetFullNumber(input, ref currentIndex);
}
var stack = new ElementStack(currentChar.ToString().ToElement(), numberOfAtoms);
root.Nodes.Add(stack);
ReadTree(input, root, ref currentIndex);
}
else if (currentChar.Equals('('))
{
var stack = new CompoundStack();
root.Nodes.Add(stack);
InnerStacks.Push(stack);
ReadTree(input, stack, ref currentIndex);
ReadTree(input, InnerStacks.Peek(), ref currentIndex);
}
else if (currentChar.Equals(')'))
{
var numberOfAtoms = 1;
if (char.IsNumber(nextChar))
{
numberOfAtoms = GetFullNumber(input, ref currentIndex);
}
root.IncreaseStackSize(numberOfAtoms);
InnerStacks.Pop();
}
else if (char.IsLower(currentChar))
{
var numberOfAtoms = 1;
if (char.IsNumber(nextChar))
{
numberOfAtoms = GetFullNumber(input, ref currentIndex);
}
var previousChar = GetPreviousUpperChar(input, currentIndex, numberOfAtoms);
var stack = new ElementStack($"{ previousChar }{ currentChar }".ToElement(), numberOfAtoms);
root.Nodes.Add(stack);
ReadTree(input, root, ref currentIndex);
}
else if (char.IsNumber(currentChar) && currentIndex < 2) // Only for the number before the compound
{
currentIndex = 0;
var numberOfMoles = GetFullNumber(input, ref currentIndex);
if (input[currentIndex] == '(')
{
currentIndex++;
numberOfMoles--;
}
root.Count = numberOfMoles;
ReadTree(input, root, ref currentIndex);
}
else
{
throw new FormatException($"Unknown char: '{ currentChar }', at position: { currentIndex }");
}
}
