initial commit

created docstring and test function

Author: aajayi-21

diffpy/snmf/subroutines.py

@@ -171,14 +171,33 @@ def update_weights(components, data_input, method=None):
         for i, component in enumerate(components):
             stretched_components[:, i] = component.apply_stretch(signal)[0]
         if method == 'align':
-            weights = lsqnonneg(stretched_components, data_input[:,signal])
+            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 reconstruct_signal(components, signal_idx):
+    """Reconstructs a specific signal from its weighted and stretched components
+
+    Parameters
+    ----------
+    components: tuple of ComponentSignal objects
+      The tuple containing the ComponentSignal objects
+    signal_idx: int
+     The index of the specific signal to be reconstructed
+
+    Returns
+    -------
+    1d array like
+      The reconstruction of a signal from calculated weights, stretching factors, and iq values.
+
+    """
+    pass
+
+
 def initialize_arrays(number_of_components, number_of_moments, signal_length):
     """Generates the initial guesses for the weight, stretching, and component matrices
 

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, update_weights
+    construct_component_matrix, construct_weight_matrix, update_weights, reconstruct_signal
 
 to = [
     ([[[1, 2], [3, 4]], [[5, 6], [7, 8]], 1e11, [[1, 2], [3, 4]], [[1, 2], [3, 4]], 1], 2.574e14),
@@ -252,3 +252,7 @@ def test_construct_weight_matrix(tcwm):
 def test_update_weights(tuw):
     actual = update_weights(tuw[0], tuw[1], tuw[2])
     assert np.shape(actual) == (len(tuw[0]), len(tuw[0][0].weights))
+trs = []
+@pytest.mark.parametrize('trs',trs)
+def test_reconstruct_signal(trs):
+    assert False