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Update app.py
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app.py
CHANGED
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@@ -421,14 +421,6 @@ with gr.Blocks(theme=seafoam) as demo:
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with gr.Row():
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with gr.Column():
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peak_data = gr.File(file_count="single", label="Upload MS/MS spectrum file in .msp format", elem_classes=".file-upload-height")
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gr.Examples(
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examples=[
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["example_spectrum.msp", "HCD", "[M+H]+", "428.0356", "40"]
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],
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inputs=[peak_data, instru, ionmode, par_ion_mass, collision_e],
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outputs=[spectrum_output],
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label="Upload Example Spectrum"
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)
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spectrum_output = gr.Plot(label="Mass Spectrum",elem_id="custom_plot")
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peak_data.change(fn=draw_mass_spectrum, inputs=[peak_data], outputs=[spectrum_output])
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with gr.Row():
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@@ -436,6 +428,14 @@ with gr.Blocks(theme=seafoam) as demo:
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ionmode=gr.Dropdown(["[M+H]+"], label="Adduct Type")
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par_ion_mass=gr.Textbox(label="Parent Ion Mass",placeholder="e.g., 180.00")
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collision_e=gr.Textbox(label="collision energy", placeholder="e.g., 40")
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with gr.Tab(label="📶 Struture library", elem_id='custom_tab'):
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with gr.Column():
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dataset = gr.Dropdown(["CSU_MS2_DB",
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with gr.Row():
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with gr.Column():
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peak_data = gr.File(file_count="single", label="Upload MS/MS spectrum file in .msp format", elem_classes=".file-upload-height")
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spectrum_output = gr.Plot(label="Mass Spectrum",elem_id="custom_plot")
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peak_data.change(fn=draw_mass_spectrum, inputs=[peak_data], outputs=[spectrum_output])
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with gr.Row():
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ionmode=gr.Dropdown(["[M+H]+"], label="Adduct Type")
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par_ion_mass=gr.Textbox(label="Parent Ion Mass",placeholder="e.g., 180.00")
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collision_e=gr.Textbox(label="collision energy", placeholder="e.g., 40")
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gr.Examples(
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examples=[
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["example_spectrum.msp", "HCD", "[M+H]+", "428.0356", "40"]
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],
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inputs=[peak_data, instru, ionmode, par_ion_mass, collision_e],
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outputs=[spectrum_output],
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label="Upload Example Spectrum"
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)
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with gr.Tab(label="📶 Struture library", elem_id='custom_tab'):
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with gr.Column():
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dataset = gr.Dropdown(["CSU_MS2_DB",
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