JensKrumsieck/ChemSharp

namespace ChemSharp.Molecules.Formats;

// ReSharper disable InconsistentNaming
public partial class CifFormat
{
    private const string AtomsLoopMMCif = "_atom_site.group_PDB";

    private const string HeaderLabelMMCif = "_atom_site.label_atom_id";
    private const string HeaderSymbolMMCif = "_atom_site.type_symbol";
    private const string HeaderCartXMMCif = "_atom_site.Cartn_x";
    private const string HeaderCartYMMCif = "_atom_site.Cartn_y";
    private const string HeaderCartZMMCif = "_atom_site.Cartn_z";
    private const string HeaderResidueMMCif = "_atom_site.auth_comp_id";
    private const string HeaderChainIdMMCif = "_atom_site.auth_asym_id";
    private const string HeaderSeqIdMMCif = "_atom_site.auth_seq_id";

    private void ExtractHeaderMMCIF(ReadOnlySpan<char> line)
    {
        if (line.StartsWith(HeaderLabelMMCif.AsSpan())) _colLabel = _idh;
        if (line.StartsWith(HeaderSymbolMMCif.AsSpan())) _colSymbol = _idh;
        if (line.StartsWith(HeaderCartXMMCif.AsSpan())) _colX = _idh;
        if (line.StartsWith(HeaderCartYMMCif.AsSpan())) _colY = _idh;
        if (line.StartsWith(HeaderCartZMMCif.AsSpan())) _colZ = _idh;
        if (line.StartsWith(HeaderResidueMMCif.AsSpan())) _colRes = _idh;
        if (line.StartsWith(HeaderSeqIdMMCif.AsSpan())) _colSeqId = _idh;
        if (line.StartsWith(HeaderChainIdMMCif.AsSpan())) _colChainId = _idh;
        _idh++;
    }

    private void SetPickingIndicatorMMCIF(ReadOnlySpan<char> line)
    {
        //determine whether to check for atoms or bonds
        if (!line.StartsWith(AtomsLoopMMCif.AsSpan())) return;
        _pickingAtoms = true;
        _pickingBonds = false;
    }
}