JensKrumsieck/ChemSharp

using System.Text.RegularExpressions;

namespace ChemSharp.Molecules;

public static class RegexUtil
{
    /// <summary>
    ///     the regex pattern for molecular formulas
    /// </summary>
    private const string SumFormulaPattern = @"([A-Z][a-z]*)(\d*[.]?\d*)|(\()|(\))(\d*[.]?\d*)";

    /// <summary>
    ///     Regex Pattern for parsing xyz files
    /// </summary>
    private const string XYZPattern = @"([A-Z][a-z]{0,1}){1}\s*(-*\d*[,.]?\d*)\s*(-*\d*[,.]?\d*)\s*(-*\d*[,.]?\d*)";

    public static readonly Regex AtomLabel = new(@"([A-Z][a-z]*)", RegexOptions.Compiled);
    public static readonly Regex XYZString = new(XYZPattern, RegexOptions.Compiled);
    public static readonly Regex SumFormula = new(SumFormulaPattern, RegexOptions.Compiled);
    public static readonly Regex PointMatch = new("[.]", RegexOptions.Compiled);
}