OpenChemLib JS
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    Class CanonizerUtil

    Class allowing to acccess advanced options of getIDCode

    let molecule = OCL.Molecule.fromSmiles('C[C@H](Cl)CC');
    molecule = OCL.Molecule.fromSmiles('CC=C(O)CC');

    console.log(molecule.getIDCode());
    console.log(OCL.CanonizerUtil.getIDCode(molecule, OCL.CanonizerUtil.NORMAL));
    console.log(OCL.CanonizerUtil.getIDCode(molecule, OCL.CanonizerUtil.NOSTEREO));
    console.log(OCL.CanonizerUtil.getIDCode(molecule, OCL.CanonizerUtil.BACKBONE));
    console.log(OCL.CanonizerUtil.getIDCode(molecule, OCL.CanonizerUtil.TAUTOMER));
    console.log(OCL.CanonizerUtil.getIDCode(molecule, OCL.CanonizerUtil.NOSTEREO_TAUTOMER));
    Index

    Properties

    BACKBONE: 2
    NORMAL: 0
    NOSTEREO: 1
    NOSTEREO_TAUTOMER: 4
    TAUTOMER: 3

    Methods