import os from src.dft_data_to_grphs import MaterialDS, MaterialMesh, MyTensor os.environ['KMP_DUPLICATE_LIB_OK'] = 'True' import gradio as gr from interface_connection import upload_struct, compute_mat with gr.Blocks() as latmatcher: gr.Markdown( "\n Please drop your XYZ files here to compute the minimum supercell.") with gr.Tabs(): with gr.TabItem(label="Hamiltonina Wizard"): with gr.Row(): with gr.Column(scale=1, min_width=400): example_file_a = gr.Dropdown( ["aBN_01", "aBN_02", "hBN"], value=[], multiselect=True, label="Select a structure", info="." ) with gr.Column(scale=1, min_width=400): load_structure_button = gr.Button("Upload your own structure.") with gr.Row(): with gr.Column(scale=1, min_width=400): h_matrix_plot = gr.Plot() with gr.Column(scale=1, min_width=400): s_matrix_plot = gr.Plot() #neighbour_radius = gr.Slider(5, 100, label=" Radius:", step=1, value=5) select_modle = gr.Dropdown( ["wizard 0.3",], value=["wizard 0.3"], multiselect=True, label="Select a structure", info="." ) compute_button = gr.Button("Compute Hamiltonian and S matrix ") file_material_ab = gr.File(label="Result h_mat, s_mat", ) load_structure_button.click(upload_struct, inputs=[], outputs=[]) compute_button.click(compute_mat, inputs=[example_file_a, select_modle], outputs=[h_matrix_plot, s_matrix_plot,file_material_ab ]) latmatcher.launch(share=True)