import type { Molecule } from 'openchemlib'; /** * Toggle presence of implicity hydrogens on/off * @param molecule * @param atomID */ export function toggleHydrogens(molecule: Molecule, atomID: number) { if (molecule.getImplicitHydrogens(atomID) === 0) { const atomsToDelete = []; for (let i = 0; i < molecule.getAllConnAtoms(atomID); i++) { const connectedAtom = molecule.getConnAtom(atomID, i); if (molecule.getAtomicNo(connectedAtom) === 1) { atomsToDelete.push(connectedAtom); } } molecule.deleteAtoms(atomsToDelete); } else { molecule.addImplicitHydrogens(atomID); } }