ase_notebook.atoms_convert module¶
Module for serializing ase.Atoms
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class
ase_notebook.atoms_convert.
ASEEncoder
(*, skipkeys=False, ensure_ascii=True, check_circular=True, allow_nan=True, sort_keys=False, indent=None, separators=None, default=None)[source]¶ Bases:
json.encoder.JSONEncoder
JSON Encoder for ase.Atoms serialization.
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ase_notebook.atoms_convert.
ase_decoder_hook
(dct)[source]¶ JSON decoder hook for ase.Atoms de-serialization.
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ase_notebook.atoms_convert.
convert_to_atoms
(obj)[source]¶ Attempt to convert an object to an ase.Atoms object.
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ase_notebook.atoms_convert.
create_ndarray
(shape, dtype, data)[source]¶ Create ndarray from shape, dtype and flattened data.
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ase_notebook.atoms_convert.
deserialize_atoms
(json_string: str) → ase.atoms.Atoms[source]¶ Deserialize a JSON string to an ase.Atoms instance.