app.py

import gradio as gr


#!/usr/bin/env python
# coding: utf-8

import pandas as pd
import math



results = None
r_m = []
r_l1 = []
r_l2 = []
r_ls = []

if L2 == 0:
    if LS == 0:
        raise Exception('Error! L2 and LS cannot be both 0, please input again!')
    else:
        for m in range(math.ceil(2*A / M) + 1):
            for l1 in range(math.ceil(2*A / L1) + 1):
                for ls in range(math.ceil(2*A / LS) + 1):
                    total_mass = M * m + L1 * l1 + LS * ls
                    if (z * A - n <= total_mass <= z * A + n) and ls < m:
                        r_m.append(m)
                        r_l1.append(l1)
                        r_l2.append(None)
                        r_ls.append(ls)

        results = {
            'M': r_m,
            'L1': r_l1,
            'L2': r_l2,
            'LS': r_ls,
        }
        df = pd.DataFrame(results)
        print("符合 {} =< {}*m+{}*l1+{}*ls <= {} 并 LS < M 的所有自然数解有{}组，分别为："
              .format(A - n, M, L1, LS,  A + n, len(r_m)))

        print(df.to_markdown(tablefmt="grid"))
        df.to_csv("result.csv", index=False)

else:
    if LS == 0:
        for m in range(math.ceil(2*A / M) + 1):
            for l1 in range(math.ceil(2*A / L1) + 1):
                for l2 in range(math.ceil(2*A / L2) + 1):
                    total_mass = M * m + L1 * l1 + L2 * l2
                    if z * A - n <= total_mass <= z * A + n:
                        r_m.append(m)
                        r_l1.append(l1)
                        r_l2.append(l2)
                        r_ls.append(None)

        results = {
            'M': r_m,
            'L1': r_l1,
            'L2': r_l2,
            'LS': r_ls,
        }
        df = pd.DataFrame(results)
        print("符合 {} =< {}*m+{}*l1+{}*l2 <= {} 的所有自然数解有{}组，分别为："
              .format(A - n, M, L1, L2, A + n, len(r_m)))

        print(df.to_markdown(tablefmt="grid"))
        df.to_csv("result.csv", index=False)

    else:
        for m in range(math.ceil(2*A / M) + 1):
            for l1 in range(math.ceil(2*A / L1) + 1):
                for l2 in range(math.ceil(2*A / L2) + 1):
                    for ls in range(math.ceil(2*A / LS) + 1):
                        total_mass = M * m + L1 * l1 + L2 * l2 + LS * ls
                        if (z * A - n <= total_mass <= z * A + n) and ls < m:
                            r_m.append(m)
                            r_l1.append(l1)
                            r_l2.append(l2)
                            r_ls.append(ls)

        results = {
            'M': r_m,
            'L1': r_l1,
            'L2': r_l2,
            'LS': r_ls,
        }
        df = pd.DataFrame(results)
        print("符合 {} =< {}*m+{}*l1+{}*l2+{}*ls <= {} 并 LS < M 的所有自然数解有{}组，分别为："
              .format(A - n, M, L1, L2, LS, A + n, len(r_m)))

        print(df.to_markdown(tablefmt="grid"))
        df.to_csv("result.csv", index=False)


def greet(M, L1, L2, LS, A, z, n):
    return "# 输入参数:" + "-"*82 + "\n" + "|-M: 金属| -L1: 配体1 | -L2: 配体2 | -LS: 含S配体的相对分子质量 | -A: 质谱上对应的分子量 | -z: 电荷 |" + f"M:{M}\nL1:{L1}\nL2:{L2}\nLS:{LS}\nA:{A}\nz:{z}\nn:{n}"

iface = gr.Interface(fn=greet, inputs=[
    gr.Textbox(lines=1),
    gr.Textbox(lines=1),
    gr.Textbox(lines=1),
    gr.Textbox(lines=1),
    gr.Textbox(lines=1),
    gr.Textbox(lines=1),
    gr.Textbox(lines=1)
    
], outputs="text")
iface.launch()