#!/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-BOND-PROP-USER>
class LabelRingChainBonds(oedepict.OEDisplayBondPropBase):
    def __init__(self):
        oedepict.OEDisplayBondPropBase.__init__(self)

    def __call__(self, bond):
        if bond.IsInRing():
            return "R"
        return "C"

    def CreateCopy(self):
        # __disown__ is required to allow C++ to take
        # ownership of this object and its memory
        copy = LabelRingChainBonds()
        return copy.__disown__()


mol = oechem.OEGraphMol()
oechem.OESmilesToMol(mol, "c1cc(N)cc(S(=O)(=O)O)c1")
oedepict.OEPrepareDepiction(mol)

width, height = 300, 200

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

bondlabel = LabelRingChainBonds()
opts.SetBondPropertyFunctor(bondlabel)

disp = oedepict.OE2DMolDisplay(mol, opts)
oedepict.OERenderMolecule("BondPropUser.png", disp)
# @ </SNIPPET-BOND-PROP-USER>
oedepict.OERenderMolecule("BondPropUser.pdf", disp)
