#!/usr/bin/env python
# (C) 2022 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.

# @ <SNIPPET>
from openeye import oechem
import sys

InterfaceData = """
!PARAMETER -mol
  !TYPE OEGraphMol
  !BRIEF Molecule file
  !REQUIRED true
  !KEYLESS 1
!END
"""


def main(argv=[__name__]):
    itf = oechem.OEInterface(InterfaceData, argv)

    mol = itf.GetOEGraphMol("-mol")
    print("Number of heavy atoms in molecule = %d" % oechem.OECount(mol, oechem.OEIsHeavy()))


if __name__ == "__main__":
    sys.exit(main(sys.argv))
# @ </SNIPPET>
