#!/usr/bin/env python3
# (C) 2023 Cadence Design Systems, Inc. (Cadence)
# All rights reserved.
# TERMS FOR USE OF SAMPLE CODE The software below ("Sample Code") is
# provided to current licensees or subscribers of Cadence products or
# SaaS offerings (each a "Customer").
# Customer is hereby permitted to use, copy, and modify the Sample Code,
# subject to these terms. Cadence claims no rights to Customer's
# modifications. Modification of Sample Code is at Customer's sole and
# exclusive risk. Sample Code may require Customer to have a then
# current license or subscription to the applicable Cadence offering.
# THE SAMPLE CODE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
# EXPRESS OR IMPLIED.  OPENEYE DISCLAIMS ALL WARRANTIES, INCLUDING, BUT
# NOT LIMITED TO, WARRANTIES OF MERCHANTABILITY, FITNESS FOR A
# PARTICULAR PURPOSE AND NONINFRINGEMENT. In no event shall Cadence be
# liable for any damages or liability in connection with the Sample Code
# or its use.

"""Code snippet for customizing style of molecule depiction."""

from openeye import oechem, oedepict

mol = oechem.OEGraphMol()
oechem.OESmilesToMol(mol, r"C/C=C\C1CCc2cc[nH]c2[C@@H]1C(=O)O molecule")
oedepict.OEPrepareDepiction(mol)

width, height, scale = 300, 200, oedepict.OEScale_AutoScale
opts = oedepict.OE2DMolDisplayOptions(width, height, scale)
opts.SetMargins(7.5)
disp = oedepict.OE2DMolDisplay(mol, opts)

family = oedepict.OEFontFamily_Default
fstyle = oedepict.OEFontStyle_Default
font = oedepict.OEFont(
    family, fstyle, 12, oedepict.OEAlignment_Center, oechem.OEDarkRed
)

for atom_disp in disp.GetAtomDisplays():
    atom = atom_disp.GetAtom()
    toggle_text = f"atom idx={atom.GetIdx()}"
    oedepict.OEDrawSVGToggleText(disp, atom_disp, toggle_text, font)

oedepict.OERenderMolecule("depiction-toggle-atom.svg", disp)