# Source code for psi4.driver.procrouting.libcubeprop.cubeprop

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    # @BEGIN LICENSE
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    # Psi4: an open-source quantum chemistry software package
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    # Copyright (c) 2007-2019 The Psi4 Developers.
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    # This file is part of Psi4.
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    import os

    from psi4 import core

    from psi4.driver.p4util.exceptions import ValidationError

    def cubeprop_compute_properties(self):
        """Filesystem wrapper for CubeProperties::raw_compute_properties."""

        filepath = core.get_global_option("CUBEPROP_FILEPATH")

        # Is filepath a valid directory?
        if not os.path.isdir(os.path.abspath(os.path.expandvars(filepath))):
            raise ValidationError("""Filepath "{}" is not valid.  Please create this directory.""".format(filepath))

        geomfile = filepath + os.sep + 'geom.xyz'
        xyz = self.basisset().molecule().to_string(dtype='xyz', units='Angstrom')
        with open(geomfile, 'w') as fh:
            fh.write(xyz)

        self.raw_compute_properties()

    core.CubeProperties.compute_properties = cubeprop_compute_properties