def save(self, output): """ save the results to file Parameters: ----------- output : str output filename (.h5) """ # Serialize metric used to calculate tICA input. metric_string = cPickle.dumps(self.prep_metric) io.saveh(output, timelag_corr_mat=self.timelag_corr_mat, cov_mat=self.cov_mat, lag=np.array([self.lag]), vals=self.vals, vecs=self.vecs, metric_string=np.array([metric_string]))
def test_pickle(): # test pickling of topology (bug #391) cPickle.loads(cPickle.dumps(md.load(get_fn('bpti.pdb')).topology))