Beispiel #1
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    def get_ase_structure(self):
        """
        :return: ASE structure corresponding to the cif file.
        """
        from aiida.orm.data.cif import CifData
        import StringIO

        return CifData.read_cif(StringIO.StringIO(self.get_corrected_cif()))
Beispiel #2
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    def get_ase_structure(self):
        """
        :return: ASE structure corresponding to the cif file.
        """
        import StringIO
        from aiida.orm.data.cif import CifData

        cif = correct_cif(self.cif)
        return CifData.read_cif(StringIO.StringIO(cif))
Beispiel #3
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    def get_ase_structure(self):
        """
        Returns ASE representation of the CIF.

        .. note:: To be removed, as it is duplicated in
            :py:class:`aiida.orm.data.cif.CifData`.
        """
        import StringIO
        from aiida.orm.data.cif import CifData
        return CifData.read_cif(StringIO.StringIO(self.cif))