xcrysden.py 文件源码

def run_xcrysden(fname, block=True):
    if config.XCrysExec == None:
        warnings.warn("XCrysDen executable not found. Check configs.")
        return False


    spargs = dict(
        args   = [config.XCrysExec, "--xsf", fname], 
        stdout = subprocess.PIPE, 
        stderr = subprocess.PIPE
    )

    if not block:
        if os.name == 'posix':
            spargs['preexec_fn'] = os.setpgrp
        elif os.name == 'nt':
            spargs['creationflags'] = subprocess.CREATE_NEW_PROCESS_GROUP


    p = subprocess.Popen(**spargs)

    if block:
        out, err = p.communicate()
    return True