Applying Charges to OEDesignUnit

The following code example shows how to apply charges to an OEDesignUnit. The program reads an OEDesignUnit as the input file, applies charges to it, and writes new OEDesignUnit to the specified output file.

Command Line Interface

A description of the command line interface is as follows.

prompt> python applycharges_oedu.py [<oedu infile>] [<oedu outfile>]

Code

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applycharges_oedu.py

#!/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.

#############################################################################
# This program demonstrates how to apply charges to an OEDesignUnit.
#############################################################################

import sys
from openeye import oechem
from openeye import oequacpac


def main(argv=[__name__]):
    opts = oechem.OESimpleAppOptions("applycharges_du", oechem.OEFileStringType_DU,
                                     oechem.OEFileStringType_DU)
    if oechem.OEConfigureOpts(opts, argv, False) == oechem.OEOptsConfigureStatus_Help:
        return 0

    ifs = oechem.oeifstream()
    if not ifs.open(opts.GetInFile()):
        oechem.OEThrow.Fatal("Unable to open %s for reading" % opts.GetInFile())

    ofs = oechem.oeofstream()
    if not ofs.open(opts.GetOutFile()):
        oechem.OEThrow.Fatal("Unable to open %s for writing" % opts.GetOutFile())

    du = oechem.OEDesignUnit()
    while oechem.OEReadDesignUnit(ifs, du):
        charge_engine = oequacpac.OEDesignUnitCharges()
        if charge_engine.ApplyCharges(du):
            oechem.OEWriteDesignUnit(ofs, du)
        else:
            oechem.OEThrow.Warning("%s: %s" % (du.GetTitle(), "Failed to assign charges"))
    return 0


if __name__ == "__main__":
    sys.exit(main(sys.argv))