def test_dimensionality_reduction_two_different_methods(self): dims = [2, 3] coordinates, details = \ encore.reduce_dimensionality( [self.ens1, self.ens2], method=[encore.StochasticProximityEmbeddingNative(dims[0]), encore.PrincipalComponentAnalysis(dims[1])]) assert_equal(coordinates[1].shape[0], dims[1])
def test_dimensionality_reduction_different_method(self): dimension = 3 coordinates, details = \ encore.reduce_dimensionality( [self.ens1, self.ens2], method=encore.PrincipalComponentAnalysis(dimension=dimension)) assert_equal( coordinates.shape[0], dimension, err_msg="Unexpected result in dimensionality reduction: {0}". format(coordinates))
def test_dimensionality_reduction_PCA_direct(self): dimension = 2 method = encore.PrincipalComponentAnalysis(dimension=dimension) coordinates = self.ens1.trajectory.timeseries(format='fac') coordinates = np.reshape(coordinates, (coordinates.shape[0], -1)) coordinates, details = method(coordinates) assert_equal( coordinates.shape[0], dimension, err_msg="Unexpected result in dimensionality reduction: {0}". format(coordinates))