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component-pythonIssues related to the Python codeIssues related to the Python code
Description
Currently for using the Jupyter widget via chemiscope.show
requires an ASE Atoms object, in case those are not available the only alternative seems chemiscope.show_input
which does only take a filepath. This makes it somewhat inconvenient to create the Jupyter widget when ASE is not used, because the chemiscope input needs to be serialized and written to disk before.
Example: https://tblite--257.org.readthedocs.build/en/257/tutorial/python/geometry.html#visualization
It would be great to either:
- pass a file descriptor or input stream to
chemiscope.show_input
- pass a dict in chemiscope input schema to
chemiscope.show
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component-pythonIssues related to the Python codeIssues related to the Python code