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Update src/streamlit_app.py
Browse files- src/streamlit_app.py +11 -7
src/streamlit_app.py
CHANGED
@@ -1280,13 +1280,17 @@ if atoms is not None:
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with open(tmp_filepath_opt, 'r') as file_opt:
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xyz_content_opt = file_opt.read()
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os.unlink(tmp_filepath_opt)
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# Convert trajectory to XYZ for download
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with open(tmp_filepath_opt, 'r') as file_opt:
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xyz_content_opt = file_opt.read()
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@st.fragment
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def show_optimized_structure_download_button():
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# st.button("Release the balloons", help="Fragment rerun")
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# st.balloons()
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st.download_button(
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label="Download Optimized Structure (XYZ)",
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data=xyz_content_opt,
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file_name="optimized_structure.xyz",
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mime="chemical/x-xyz"
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)
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show_optimized_structure_download_button()
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os.unlink(tmp_filepath_opt)
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# Convert trajectory to XYZ for download
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