rename local gui -> miniGUI

import tkinter as tk

from tkinter import ttk

import requests

import json

import subprocess

import threading

lite_conversation_history = ""

def launch_pymol():

    """start a new process to launch PyMOL

    """

    process = subprocess.Popen(["pymol", "pymol_server.py"], stdout=subprocess.PIPE, stderr=subprocess.PIPE)

    stdout, stderr = process.communicate()

    if process.returncode != 0:

        print(f"Error occurred while launching PyMOL: {stderr}")

    else:

        print(stdout)

def query_qaserver(question):

    headers = {

        'Content-Type': 'application/x-www-form-urlencoded',

    }

    data = 'question=' + question.replace('"','')

    response = requests.post('https://chatmol.org/qa/lite/', headers=headers, data=data)

    return response.text

def chatlite(question):

    global lite_conversation_history

    question = lite_conversation_history + "Instructions: " + question

    answer = query_qaserver(question)

    data = json.loads(answer)

    lite_conversation_history = data['conversation_history']

    lite_conversation_history += "\nAnswer: "

    lite_conversation_history += data['answer']

    lite_conversation_history += "\n"

    commands = data['answer']

    commands = commands.split('\n')

    print("Answers from ChatMol: ")

    for command in commands:

        if command == '':

            continue

        else:

            print(command)

    return commands

def send_message():

    message = entry.get()

    old_chat = chat.get("1.0", "end-1c")

    if (old_chat == chat_tips):

       chat.delete("1.0","end-1c")

       chat.config(fg = 'black')

    chat.config(state='normal')

    chat.insert(tk.END, "You: " + message + "\n")

    response = chatlite(message)

    chat.insert(tk.END, "ChatMol: " + '\n'.join(response) + "\n")

    entry.delete(0, tk.END)

def send_response_to_server():

    conversation = chat.get("1.0", "end-1c")

    index = conversation.rindex('ChatMol: ')

    command = ""

    if (index):

       command = conversation[index+9:]

       print("command", command)

    response = requests.post('http://localhost:8101/send_message', data=command)

    if response.status_code == 200:

        print('Command sent to server successfully.')

    else:

        print(f'Failed to send command to server. Status code: {response.status_code}')

# GUI code

window = tk.Tk()

window.geometry("300x675")

window.title("ChatMol")

# Create the main container

frame = ttk.Frame(window, padding="5 5 5 5")

frame.pack(fill='both', expand=True)

chat_tips = 'PyMOL commands from ChatMol will be displayed here. The last group of PyMOL commands can be executed by PyMOL when you hit "Send to PyMOL"'

# Create the chat box in the container

chat = tk.Text(frame, bg='white', fg='black', state='normal')  # change background color to white

chat.insert('end', chat_tips)

chat.config(fg = '#909090')

chat.pack(fill='both', expand=True)

entry_tips = 'Type ChatMol message here...'

# Create the entry box in the container

entry = tk.Entry(frame,bg='white', fg='#909090')

entry.insert(0, entry_tips)

entry.pack(fill='x')

def on_entry_click(event):

    """function that gets called whenever entry is clicked"""

    if entry.get() == entry_tips:

       entry.delete(0, "end") # delete all the text in the entry

       entry.insert(0, '') # Insert blank for user input

       entry.config(fg = '#010101')

def on_focusout(event):

    if entry.get() == '':

        entry.insert(0, entry_tips)

        entry.config(fg = '#909090')

# Create the send button in the container

send_button = ttk.Button(frame, text="Send to PyMOL", command=send_response_to_server)

send_button.pack(fill='x')

entry.bind('<Return>', lambda event: send_message())

entry.bind('<FocusIn>', on_entry_click)

entry.bind('<FocusOut>', on_focusout)

# Launch PyMOL in a separate thread

if __name__ == "__main__":

    pymol_thread = threading.Thread(target=launch_pymol)

    pymol_thread.start()

if __name__ == "pymol":  # still cannot start from pymol interpreter

    from pymol_server import *

window.mainloop()

import http.server

from http import HTTPStatus

from pymol import cmd

import urllib.parse

import threading

import requests

class PyMOLCommandHandler(http.server.BaseHTTPRequestHandler):

    def _send_cors_headers(self):

        """Sets headers required for CORS"""

        self.send_header("Access-Control-Allow-Origin", "*")

        self.send_header("Access-Control-Allow-Methods", "GET,POST,OPTIONS")

        self.send_header("Access-Control-Allow-Headers", "x-api-key,Content-Type")

    def do_OPTIONS(self):

        """Respond to a OPTIONS request."""

        self.send_response(HTTPStatus.NO_CONTENT)

        self._send_cors_headers()

        self.end_headers()

    def do_POST(self):

        if self.path != "/send_message":

            self.send_response(HTTPStatus.NOT_FOUND)

            self.end_headers()

            return

        content_length = int(self.headers['Content-Length'])

        post_data = self.rfile.read(content_length)

        post_data = urllib.parse.unquote(post_data.decode())

        try:

            cmd.do(post_data)

            self.send_response(HTTPStatus.OK)

            self._send_cors_headers()

            self.end_headers()

            self.wfile.write(b'Command executed')

        except Exception as e:

            self.send_response(HTTPStatus.INTERNAL_SERVER_ERROR)

            self.end_headers()

            self.wfile.write(str(e).encode())

    def do_GET(self):

        if self.path == "/":

            self.send_response(HTTPStatus.OK)

            self._send_cors_headers()

            self.send_header("Content-Type", "text/html")

            self.end_headers()

            self.wfile.write(b'Hello, this is the local Pymol server.')

            return

        self.send_response(HTTPStatus.NOT_FOUND)

        self.end_headers()

def start_server():

    httpd = http.server.HTTPServer(('localhost', 8101), PyMOLCommandHandler)

    httpd.serve_forever()

def is_http_server_running():

    url = f'http://localhost:8101'

    try:

        response = requests.get(url)

        return True

    except requests.ConnectionError:

        return False

if not is_http_server_running():

    server_thread = threading.Thread(target=start_server)

    server_thread.start()

    print("Server started")

# A local GUI of ChatMol

# A GUI of ChatMol

## Requirements

- Python 3.6 or higher

## Usage

```bash

python local_gui.py

python miniGUI.py

```