aesop.py 文件源码

def run_parallel(self, n_workers=None):
        """Summary
        Perform a computational directed mutagenesis scan on the initialized
        class using multiple processes in parallel.

        Parameters
        ----------
        n_workers : int
            Number of processes to run. If None, method will use all
            available threads.

        Returns
        -------
        None
            Outputs text to STDOUT when run is complete, will be made
            optional in the future.
        """
        start = ti.default_timer()
        self.logs = []
        self.genPDB()
        self.genPQR()
        self.calcAPBS_parallel()
        self.calcCoulomb_parallel()
        stop = ti.default_timer()
        print '%s:\tAESOP directed mutagenesis scan completed' \
            ' in %.2f seconds' % (self.jobname, stop - start)
        warn = self.checkwarnings()
        err = self.checkerrors()
        if warn != 0:
            print 'WARNINGS detected, please view log files!'
        if err != 0:
            print 'ERRORS detected, please view log files!'