initial commit

Author: aajayi-21

diffpy/snmf/subroutines.py

@@ -1,9 +1,33 @@
 import numpy as np
 from diffpy.snmf.optimizers import get_weights
 from diffpy.snmf.factorizers import lsqnonneg
+from diffpy.snmf.containers import ComponentSignal
 import numdifftools
 
 
+def create_components(number_of_components, number_of_signals, grid_vector):
+    """Creates the ComponentSignal objects
+
+    Parameters
+    ----------
+    number_of_components: int
+      The number of component signals in the NMF decomposition
+    number_of_signals: int
+    grid_vector: 1d array
+      The grid of the user provided signals.
+
+    Returns
+    -------
+    tuple of ComponentSignal objects
+      The tuple containing `number_of_components` of initialized ComponentSignal objects.
+    """
+    components = list()
+    for c in range(number_of_components):
+        c = ComponentSignal(grid_vector,number_of_signals,c)
+        components.append(c)
+    return tuple(components)
+
+
 def lift_data(data_input, lift=1):
     """Lifts values of data_input
 

diffpy/snmf/tests/test_subroutines.py

@@ -1,7 +1,7 @@
 import pytest
 import numpy as np
 from diffpy.snmf.subroutines import objective_function, get_stretched_component, reconstruct_data, get_residual_matrix, \
-    update_weights_matrix, initialize_arrays, lift_data
+    update_weights_matrix, initialize_arrays, lift_data, create_components
 
 to = [
     ([[[1, 2], [3, 4]], [[5, 6], [7, 8]], 1e11, [[1, 2], [3, 4]], [[1, 2], [3, 4]], 1], 2.574e14),
@@ -144,8 +144,26 @@ def test_reconstruct_data(trd):
        (([[[1.5, 2], [10.5, 1], [0.5, 2]], 1]), ([[2, 2.5], [11, 1.5], [1, 2.5]])),
        (([[[-10, -10.5], [-12.2, -12.2], [0, 0]], 1]), ([[2.2, 1.7], [0, 0], [12.2, 12.2]])),
        ]
+
+
 @pytest.mark.parametrize('tld', tld)
 def test_lift_data(tld):
     actual = lift_data(tld[0][0], tld[0][1])
     expected = tld[1]
     np.testing.assert_allclose(actual, expected)
+
+tcc = [(2, [0, .5, 1, 1.5], 3, 3),
+       (3,[0,10,20,30],10,15),
+       (0,[0],11,30),
+       (5,[1,1,1,1,1,1],10000,40000),
+       (3,np.arange(stop=125,step=.05),20,2500),
+       ]
+@pytest.mark.parametrize('tcc', tcc)
+def test_create_components(tcc):
+    actual = create_components(tcc[0], tcc[1], tcc[2], tcc[3])
+    assert len(actual) == tcc[0]
+    for c in actual:
+        assert len(c.iq) == tcc[3]
+        assert len(c.weights) == tcc[2]
+        assert len(c.stretching_factors) == tcc[2]
+        assert (c.grid == tcc[1]).all()