added function contents and tests

Author: aajayi-21

diffpy/snmf/subroutines.py

@@ -161,6 +161,22 @@ def update_weights(components, data_input, method=None):
       The 2d array containing the weight factors for each component for each signal from `data_input`. Has dimensions
       K x M where K is the number of components and M is the number of signals in `data_input.`
     """
+    data_input = np.asarray(data_input)
+    weight_matrix = construct_weight_matrix(components)
+    number_of_signals = len(components[0].weights)
+    number_of_components = len(components)
+    signal_length = len(components[0].grid)
+    for signal in range(number_of_signals):
+        stretched_components = np.zeros((signal_length, number_of_components))
+        for i, component in enumerate(components):
+            stretched_components[:, i] = component.apply_stretch(signal)[0]
+        if method == 'align':
+            weights = lsqnonneg(stretched_components, data_input[:,signal])
+        else:
+            weights = get_weights(stretched_components.T @ stretched_components,
+                                  -stretched_components.T @ data_input[:, signal], 0, 1)
+            weight_matrix[:, signal] = weights
+    return weight_matrix
 
 
 def initialize_arrays(number_of_components, number_of_moments, signal_length):

diffpy/snmf/tests/test_subroutines.py

@@ -3,7 +3,7 @@
 from diffpy.snmf.containers import ComponentSignal
 from diffpy.snmf.subroutines import objective_function, get_stretched_component, reconstruct_data, get_residual_matrix, \
     update_weights_matrix, initialize_arrays, lift_data, initialize_components, construct_stretching_matrix, \
-    construct_component_matrix, construct_weight_matrix
+    construct_component_matrix, construct_weight_matrix, update_weights
 
 to = [
     ([[[1, 2], [3, 4]], [[5, 6], [7, 8]], 1e11, [[1, 2], [3, 4]], [[1, 2], [3, 4]], 1], 2.574e14),
@@ -228,7 +228,23 @@ def test_construct_weight_matrix(tcwm):
     for component in tcwm:
         np.testing.assert_allclose(actual[component.id], component.weights)
 
-tuw = []
-@pytest.mark.parametrize('tuw',tuw)
+
+tuw = [([ComponentSignal([0, .25, .5, .75, 1], 2, 0), ComponentSignal([0, .25, .5, .75, 1], 2, 1),
+         ComponentSignal([0, .25, .5, .75, 1], 2, 2)], [[1, 1], [1.2, 1.3], [1.3, 1.4], [1.4, 1.5], [2, 2.1]], None),
+       ([ComponentSignal([0, .25, .5, .75, 1], 2, 0), ComponentSignal([0, .25, .5, .75, 1], 2, 1),
+         ComponentSignal([0, .25, .5, .75, 1], 2, 2)], [[1, 1], [1.2, 1.3], [1.3, 1.4], [1.4, 1.5], [2, 2.1]], "align"),
+       ([ComponentSignal([0, .25, .5, .75, 1], 2, 0), ComponentSignal([0, .25, .5, .75, 1], 2, 1),
+         ComponentSignal([0, .25, .5, .75, 1], 2, 2)], [[0, 0], [0, 0], [0, 0], [0, 0], [0, 0]], None),
+       ([ComponentSignal([0, .25, .5, .75, 1], 2, 0), ComponentSignal([0, .25, .5, .75, 1], 2, 1),
+         ComponentSignal([0, .25, .5, .75, 1], 2, 2)], [[0, 0], [0, 0], [0, 0], [0, 0], [0, 0]], "align"),
+       ([ComponentSignal([0, .25, .5, .75, 1], 2, 0), ComponentSignal([0, .25, .5, .75, 1], 2, 1),
+         ComponentSignal([0, .25, .5, .75, 1], 2, 2)], [[-.5, 1], [1.2, -1.3], [1.1, -1], [0, -1.5], [0, .1]], None),
+       ([ComponentSignal([0, .25, .5, .75, 1], 2, 0), ComponentSignal([0, .25, .5, .75, 1], 2, 1),
+         ComponentSignal([0, .25, .5, .75, 1], 2, 2)], [[-.5, 1], [1.2, -1.3], [1.1, -1], [0, -1.5], [0, .1]], "align"),
+       ]
+@pytest.mark.parametrize('tuw', tuw)
 def test_update_weights(tuw):
-    assert False
+    for component in tuw[0]:
+        print(component.weights)
+    actual = update_weights(tuw[0], tuw[1], tuw[2])
+    assert np.shape(actual) == (len(tuw[0]), len(tuw[0][0].weights))