JensKrumsieck/ChemSharp

namespace ChemSharp.Molecules.Formats;

public partial class CifFormat
{
    private const string AtomsLoopComp = "_chem_comp_atom.comp_id";
    private const string BondsLoopComp = "_chem_comp_bond.comp_id";

    private const string HeaderLabelComp = "_chem_comp_atom.atom_id";
    private const string HeaderSymbolComp = "_chem_comp_atom.type_symbol";
    private const string HeaderCartXComp = "_chem_comp_atom.model_Cartn_x";
    private const string HeaderCartYComp = "_chem_comp_atom.model_Cartn_y";
    private const string HeaderCartZComp = "_chem_comp_atom.model_Cartn_z";
    private const string HeaderResidueComp = "_chem_comp_atom.comp_id";

    private void ExtractHeaderComp(ReadOnlySpan<char> line)
    {
        if (line.StartsWith(HeaderLabelComp.AsSpan())) _colLabel = _idh;
        if (line.StartsWith(HeaderSymbolComp.AsSpan())) _colSymbol = _idh;
        if (line.StartsWith(HeaderCartXComp.AsSpan())) _colX = _idh;
        if (line.StartsWith(HeaderCartYComp.AsSpan())) _colY = _idh;
        if (line.StartsWith(HeaderCartZComp.AsSpan())) _colZ = _idh;
        if (line.StartsWith(HeaderResidueComp.AsSpan())) _colRes = _idh;
        _idh++;
    }

    private void SetPickingIndicatorComp(ReadOnlySpan<char> line)
    {
        //determine whether to check for atoms or bonds
        if (line.StartsWith(AtomsLoopComp.AsSpan()))
        {
            _pickingAtoms = true;
            _pickingBonds = false;
        }
        else if (line.StartsWith(BondsLoopComp.AsSpan()))
        {
            _pickingBonds = true;
            _pickingAtoms = false;
        }
    }
}