仅在PyMOL运行时调用函数 [英] Only call function if PyMOL running

问题描述

我有一个脚本，可以对蛋白质进行一些计算.完成后，方法将导入pymol模块，并使用pymol.cmd API在PyMOL会话中显示结果.该过程类似于以下内容:

I have a script that performs some calculations on a protein. When it's finished, a method imports the pymol module, and uses the pymol.cmd API to display results in a PyMOL session. The process is something akin to the following:

def display_results(results, protein_fn):
    import pymol
    pymol.cmd.load(protein_fn)
    pymol.cmd.alter(...)
    ...

protein_fn = "1abc.ent"
results = analyze_protein(protein_fn)
display_results(results, protein_fn)

但是，我的脚本不一定要 在PyMOL中显示结果，我希望仅在已安装并运行PyMOL的情况下执行此操作.

However, my script doesn't necessarily need to display the results in PyMOL, and I'd like this to only be done if PyMOL is installed and running.

检查是否已安装PyMOL很容易(我只能按try: import pymol)，但是有没有办法检查是否有活动的PyMOL会话显示结果?

It's easy to check if PyMOL is installed (I can just try: import pymol), but is there a way to check if there's an active PyMOL session to display results in?

推荐答案

我不是PyMOL的专家(从来没有编写过脚本)，但我看到了两种可能的方法:

I'm not an expert on PyMOL (haven't ever scripted it) but I see 2 possible ways:

1. 做一些琐碎的事情，需要打开PyMOL会话并捕获 例外
2. 查看进程名称(类似于os.system("ps ux | grep -i pymol"))

1. Do something trivial that requires an open PyMOL session and catch exceptions
2. Look at process names (something like os.system("ps ux | grep -i pymol"))

第一种方法更好，第二种是肮脏的骇客.

First way is better, second is a dirty hack.

这篇关于仅在PyMOL运行时调用函数的文章就介绍到这了，希望我们推荐的答案对大家有所帮助，也希望大家多多支持IT屋！