bug fix

app.py

@@ -6,7 +6,7 @@ import gradio as gr
 from interface_connection import compute_supercell_a, compute_supercell_b
 with gr.Blocks() as latmatcher:
     gr.Markdown(
-        "## LatMattcher.\n Please drop your XYZ files here to compute the minimum supercell.")
+        "\n Please drop your XYZ files here to compute the minimum supercell.")
 
     with gr.Tabs():
         with gr.TabItem(label="file"):

interface_connection/latmatcher_interface.py

@@ -43,8 +43,9 @@ def compute_supercell_a(file_material_a, file_material_b,inter_distance , max_an
     create_directory("DB/LatMatcher")
     new_directory = db_latmatcher_path + "/{}__ma{}__ms{}_on{}".format(ip, max_angle, max_strain,
                                                                        len(os.listdir(db_latmatcher_path)))
-    if not os.path.exists(new_directory):
-        os.makedirs(new_directory)
+    create_directory(new_directory)
+
+
     path_to_move = new_directory
 
     file1 = process_file(file_material_a, path_to_move+"/")
@@ -100,13 +101,13 @@ def compute_supercell_a(file_material_a, file_material_b,inter_distance , max_an
 
 
     # Write the content to a file
-    # with open(file12, 'w') as file:
-    #     file.write(xyz_content)
+    with open(file12, 'w') as file:
+        file.write(xyz_content)
     atoms= atoms_to_greed(super_xyz, lat_v=min_supercel.sc_vec3, dim=(5,5,0))
-    xyz_content=generate_xyz_text(atoms)
+    xyz_content_dd=generate_xyz_text(atoms)
 
     plot=plot_supercel(super_xyz, min_supercel)
-    return file12, str(rez[0]), str((rez[1], rez[2])),plot, xyz_content
+    return file12, str(rez[0]), str((rez[1], rez[2])),plot, xyz_content_dd
 
 def compute_supercell_b():
     pass