import pymol

from pymol import _cmd

import threading
import sys

pymol2_lock = threading.RLock()

##
## FIXME: The PyMOL and SingletonPyMOL classes are partly redundant with the
## instance tracking of the "cmd" module (and the pymol2.cmd2.Cmd class),
## which also holds the _COb pointer.
##

class SingletonPyMOL:
    '''
    Start an exclusive PyMOL instance, only one instance allowed
    '''
    def __init__(self, options=None):
        if options is None:
            self.options = pymol.invocation.options
        else:
            self.options = options

    def idle(self):
        return _cmd._idle(self._COb)

    def getRedisplay(self, reset=True):
        return _cmd._getRedisplay(self._COb, reset)

    def reshape(self, width, height, force=0):
        _cmd._reshape(self._COb, width, height, force)

    def draw(self):
        _cmd._draw(self._COb)

    def button(self, button, state, x, y, modifiers):
        _cmd._button(self._COb, button, state, x, y, modifiers)

    def drag(self, x, y, modifiers):
        _cmd._drag(self._COb, x, y, modifiers)

    def start(self):
        cmd = pymol.cmd
        if cmd._COb is not None:
            raise RuntimeError('can only start SingletonPyMOL once')
        
        with pymol2_lock:
            cmd._COb = _cmd._new(pymol, self.options, True) #! 此处对pymol-open-source源码进行修改，方便启动的时候修改参数，具体参考options
            _cmd._start(cmd._COb, cmd)

        self._COb = cmd._COb
        self.cmd = cmd

    def stop(self):
        with pymol2_lock:
            _cmd._stop(self._COb)

        pymol.cmd._COb = None

    def __enter__(self):
        self.start()
        return self

    def __exit__(self, exc_type, exc_value, tb):
        self.stop()

    @classmethod
    def start_with_options(cls, options): # new add 
        instance = cls(options)
        instance.start()
        return instance

'''
# 使用示例
if __name__ == '__main__':
    from pymol.invocation import options
    options.rpcServer = 1

    # 使用类方法创建并启动实例
    pymol_instance1 = SingletonPyMOL.start_with_options(options)

    # 使用上下文管理器
    with SingletonPyMOL() as pymol_instance2:
        # pymol_instance2 使用默认的 options
        pass

    # 先创建实例，然后单独启动
    pymol_instance3 = SingletonPyMOL()
    pymol_instance3.start()  # 使用默认的 options

# 启动pymol GUI，可以在一个新的进程中启动，通过rpcServer 默认端口是：9123 localhost
# 或者在一个新的线程中启动界面，不堵塞主线程
from pmg_qt import pymol_qt_gui
pymol_qt_gui.execapp()
'''