Update app.py

app.py

@@ -119,7 +119,7 @@ def draw_mass_spectrum(peak_data_path):
     ms2 = spectrum_processing(ms2)
     Mz = np.array(ms2.mz)
     Intens = np.array(ms2.intensities)
-    plt.figure(figsize=(6.5,3.5))
+    plt.figure(figsize=(6.5,3.3))
     for i in range(len(Mz)):
             plt.axvline(x=Mz[i], ymin=0, ymax=Intens[i],c='red')
     plt.xlabel("m/z")
@@ -127,6 +127,19 @@ def draw_mass_spectrum(peak_data_path):
     plt.title("Mass Spectrum") 
     return plt
 
+def draw_mass_spectrum2(peak_data_path):
+    ms2 = list(load_from_msp(peak_data_path.name))[0]
+    ms2 = spectrum_processing(ms2)
+    Mz = np.array(ms2.mz)
+    Intens = np.array(ms2.intensities)
+    plt.figure(figsize=(8,5))
+    for i in range(len(Mz)):
+            plt.axvline(x=Mz[i], ymin=0, ymax=Intens[i],c='red')
+    plt.xlabel("m/z")
+    plt.ylabel("Intensity")
+    plt.title("Mass Spectrum") 
+    return plt
+    
 
 dataset_repo = "Tingxie/CSU-MS2-DB"
 db_filename = "csu_ms2_db.db"
@@ -457,7 +470,7 @@ with gr.Blocks(theme=seafoam) as demo:
             user_button = gr.Button("Cross-Modal Retrieval")
             user_output = gr.Gallery(height='auto',columns=4,elem_classes="gallery-height",label='Cross-modal retrieval results')
     draw_button.click(draw_mass_spectrum, inputs=[peak_data], outputs=[spectrum_output])
-    user_draw_button.click(draw_mass_spectrum, inputs=[user_peak_data], outputs=[user_spectrum_output])
+    user_draw_button.click(draw_mass_spectrum2, inputs=[user_peak_data], outputs=[user_spectrum_output])
     lib_button.click(rank_lib, inputs=[dataset,peak_data,instru,ionmode,par_ion_mass,collision_e], outputs=lib_output)
     user_button.click(rank_user_lib, inputs=[use_dataset,user_peak_data,user_instru,user_ionmode,user_collision_e], outputs=user_output)
 demo.launch(share=True)