Example #1
0
 def test_multiple_issues_warning(self):
     if use_assert_warns:
         with self.assertWarns(UserWarning):
             tica_nystroem(data=np.random.rand(100, 10),
                           lag=1,
                           max_columns=11,
                           nsel=3,
                           initial_columns=np.random.choice(10,
                                                            2,
                                                            replace=False))
Example #2
0
 def test_single_issues_warning(self):
     if use_assert_warns:
         with self.assertLogs(level='WARNING'):
             t = tica_nystroem(data=self.data,
                               lag=1,
                               max_columns=12,
                               initial_columns=self.initial_columns)
     else:
         t = tica_nystroem(data=self.data,
                           lag=1,
                           max_columns=12,
                           initial_columns=self.initial_columns)
     self._compare_tica(t)
Example #3
0
 def test_multiple(self):
     t = tica_nystroem(data=self.data,
                       lag=1,
                       max_columns=11,
                       nsel=3,
                       initial_columns=self.initial_columns)
     self._compare_tica(t)
Example #4
0
 def test(self):
     t = tica_nystroem(data=self.Z,
                       lag=self.lag,
                       max_columns=10,
                       initial_columns=np.array([91]))
     np.testing.assert_allclose(t.cov, self.tica_obj.cov[:,
                                                         t.column_indices])
     np.testing.assert_allclose(t.cov_tau,
                                self.tica_obj.cov_tau[:, t.column_indices])
     assert np.all(
         np.abs(self.tica_obj.eigenvalues[:4] - t.eigenvalues[:4]) < 1e-3)
Example #5
0
 def test_describe(self):
     # just check there is no exception
     tica_nystroem(max_columns=2).describe()
     tica_nystroem(max_columns=2, data=np.random.random((100, 10)))