Spaces:
Sleeping
Sleeping
Commit
·
28267e0
1
Parent(s):
109830d
added instruction
Browse files
app.py
CHANGED
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@@ -94,7 +94,9 @@ adduct_input = st.text_input("Enter adduct:", value=st.session_state.adduct)
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st.subheader("Precursor mz")
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precursor_input = st.text_input("Enter precursor mz:", value=st.session_state.precursor_mz)
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#
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if st.button("Run"):
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for f in FIELDS:
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@@ -132,18 +134,20 @@ if st.button("Run"):
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mass_diff_thresh=20,
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precursor_intensity=1.1
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)
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st.session_state.selected_spectrum_idx = None
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st.session_state.selected_node_idx = None
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st.session_state.run_clicked = True
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#
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if st.session_state.run_clicked:
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st.subheader("Peak-to-Node Similarity")
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st.text("Double click on a peak or node to visualize similarity scores")
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fig = st.session_state.fig
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# Apply any coloring before rendering
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if st.session_state.selected_spectrum_idx is not None:
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idx = st.session_state.selected_spectrum_idx
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scores = st.session_state.sim_norm[idx, :]
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@@ -159,8 +163,7 @@ if st.session_state.run_clicked:
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"red" if i == idx else "lightgray" for i in range(st.session_state.sim_norm.shape[1])
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]
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# Render figure
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selected = plotly_events(
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st.session_state.fig,
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click_event=True,
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st.subheader("Precursor mz")
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precursor_input = st.text_input("Enter precursor mz:", value=st.session_state.precursor_mz)
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# ------------------------
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# Run model
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# ------------------------
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if st.button("Run"):
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for f in FIELDS:
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mass_diff_thresh=20,
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precursor_intensity=1.1
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)
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+
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st.session_state.selected_spectrum_idx = None
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st.session_state.selected_node_idx = None
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st.session_state.run_clicked = True
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# ------------------------
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# Display visualization
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# ------------------------
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if st.session_state.run_clicked:
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st.subheader("Peak-to-Node Similarity")
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st.text("Only annotated peaks are shown. Peaks assigned the same subformula are combined by summing all the intensities and the smallest m/z value is shown.")
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st.text("Double click on a peak or node to visualize similarity scores")
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fig = st.session_state.fig
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if st.session_state.selected_spectrum_idx is not None:
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idx = st.session_state.selected_spectrum_idx
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scores = st.session_state.sim_norm[idx, :]
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"red" if i == idx else "lightgray" for i in range(st.session_state.sim_norm.shape[1])
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]
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# Render figure
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selected = plotly_events(
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st.session_state.fig,
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click_event=True,
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