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 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))