#!/usr/bin/env python
# (C) 2017 OpenEye Scientific Software Inc. All rights reserved.
#
# TERMS FOR USE OF SAMPLE CODE The software below ("Sample Code") is
# provided to current licensees or subscribers of OpenEye products or
# SaaS offerings (each a "Customer").
# Customer is hereby permitted to use, copy, and modify the Sample Code,
# subject to these terms. OpenEye 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 OpenEye 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 OpenEye be
# liable for any damages or liability in connection with the Sample Code
# or its use.

from openeye import oechem
from openeye import oedepict

# @ <SNIPPET-DEPICT-MOL-STYLE>
mol = oechem.OEGraphMol()
oechem.OESmilesToMol(mol, "c1cc(N)cc(S(=O)(=O)O)c1 3-aminobenzenesulfonic acid")
oedepict.OEPrepareDepiction(mol)

width, height = 200, 200
opts = oedepict.OE2DMolDisplayOptions(width, height, oedepict.OEScale_AutoScale)

opts.SetAromaticStyle(oedepict.OEAromaticStyle_Circle)
opts.SetAtomColorStyle(oedepict.OEAtomColorStyle_BlackCPK)
opts.SetTitleLocation(oedepict.OETitleLocation_Bottom)

disp = oedepict.OE2DMolDisplay(mol, opts)
oedepict.OERenderMolecule("DepictMolStyle.png", disp)
# @ </SNIPPET-DEPICT-MOL-STYLE>
oedepict.OERenderMolecule("DepictMolStyle.pdf", disp)
