#!/usr/bin/env python3
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"""Code snippet for ring perception."""

from openeye import oechem, oedepict

mol = oechem.OEGraphMol()
oechem.OESmilesToMol(mol, "CC(=O)C1CC2CC(C1C2)Cc3ccc4c(c3)cc[nH]4")
oedepict.OEPrepareDepiction(mol)

width, height = 400, 300
image = oedepict.OEImage(width, height)


class LabelRingSize(oedepict.OEDisplayAtomPropBase):
    """Functor to label atoms by their ring size."""

    def __init__(self, max_ring_size: int) -> None:
        """Initialize predicate."""
        self._max_ring_size = max_ring_size
        oedepict.OEDisplayAtomPropBase.__init__(self)

    def __call__(self, atom: oechem.OEAtomBase) -> str:
        """Return atom label to be displayed."""
        if not atom.IsInRing():
            return ""
        rings = [
            r
            for r in range(3, self._max_ring_size)
            if oechem.OEAtomIsInRingSize(atom, r)
        ]
        if len(rings) == 0:
            return ""
        return "(" + ",".join([str(r) for r in rings]) + ")"

    def CreateCopy(self):  # noqa: ANN201, N802
        """Copy constructor."""
        return LabelRingSize(self._max_ring_size).__disown__()


scale = oedepict.OEScale_AutoScale
opts = oedepict.OE2DMolDisplayOptions(width, height, scale)
opts.SetAtomColorStyle(oedepict.OEAtomColorStyle_WhiteMonochrome)
opts.SetAtomPropertyFunctor(LabelRingSize(max_ring_size=10))

disp = oedepict.OE2DMolDisplay(mol, opts)
oedepict.OERenderMolecule(image, disp)
oedepict.OEWriteImage("depict_ring_size.svg", image)