#!/usr/bin/env python3
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"""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.SetTitleLocation(oedepict.OETitleLocation_Bottom)

font_type = oedepict.OEFontFamily_Default
font_style = oedepict.OEFontStyle_Bold | oedepict.OEFontStyle_Italic
font_align = oedepict.OEAlignment_Center
font_size = 10
font = oedepict.OEFont(font_type, font_style, font_size, font_align, oechem.OERoyalBlue)
opts.SetTitleFont(font)

disp = oedepict.OE2DMolDisplay(mol, opts)
oedepict.OERenderMolecule("depiction-title.png", disp)
