Plotting func/peak finder

cmeutils/plot_tools.py

@@ -0,0 +1,23 @@
+import scipy.signal as signal
+
+
+def find_peaks(data, height=None):
+    """Finds peaks in 1-D data.
+    The peaks are any value greater than the variable entered for height. The data values are 1-D values (like x, y, or z)   
+    that you wish to find the peaks of.
+    Any points/values that excede the height will be identified as peaks.
+
+    Parameters
+    ----------
+    data : numpy.ndarray, shape (N,1)
+       Such as x, y, OR z.
+    max_height : int, default None
+        Required height of peaks. 
+
+    Returns
+    ----------
+    tuple
+        The indices of peaks
+    """
+    peaks = signal.find_peaks(data, height=height)
+    return peaks  

cmeutils/tests/assets/cztptz8fitic_rdf.txt

@@ -0,0 +1,101 @@
+# bin_centers, rdf
+3.994999825954437256e-02,0.000000000000000000e+00
+9.984999895095825195e-02,0.000000000000000000e+00
+1.597499847412109375e-01,0.000000000000000000e+00
+2.196500003337860107e-01,0.000000000000000000e+00
+2.795499861240386963e-01,0.000000000000000000e+00
+3.394499719142913818e-01,0.000000000000000000e+00
+3.993499875068664551e-01,0.000000000000000000e+00
+4.592499732971191406e-01,0.000000000000000000e+00
+5.191499590873718262e-01,0.000000000000000000e+00
+5.790499448776245117e-01,0.000000000000000000e+00
+6.389499902725219727e-01,0.000000000000000000e+00
+6.988499164581298828e-01,0.000000000000000000e+00
+7.587499618530273438e-01,0.000000000000000000e+00
+8.186499476432800293e-01,0.000000000000000000e+00
+8.785499334335327148e-01,0.000000000000000000e+00
+9.384499788284301758e-01,1.151131615042686462e-01
+9.983499050140380859e-01,6.846419572830200195e-01
+1.058249950408935547e+00,1.048080801963806152e+00
+1.118149995803833008e+00,1.041752099990844727e+00
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+1.956749916076660156e+00,9.014871716499328613e-01
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+2.076550006866455078e+00,1.045596480369567871e+00
+2.136449813842773438e+00,1.139888644218444824e+00
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cmeutils/tests/base_test.py

@@ -55,6 +55,10 @@ def mapping(self):
     @pytest.fixture
     def p3ht_xml(self):
         return path.join(asset_dir, "p3ht.xml")
+
+    @pytest.fixture
+    def rdf_txt(self):
+        return path.join(asset_dir, "cztptz8fitic_rdf.txt")
 
 
 def create_frame(i, add_bonds, images, seed=42):

cmeutils/tests/test_dynamics.py

@@ -1,6 +1,6 @@
 import pytest
 
-from cmeutils.tests.base_test import BaseTest
+from base_test import BaseTest
 from cmeutils.dynamics import msd_from_gsd
 
 class TestDynamics(BaseTest):

cmeutils/tests/test_plot.py

@@ -0,0 +1,16 @@
+import pytest
+
+import scipy.signal as signal
+import numpy as np
+
+from base_test import BaseTest
+
+from cmeutils.plot_tools import find_peaks
+
+class TestPlot(BaseTest):
+    def test_find_peaks(self, rdf_txt):
+        line= np.genfromtxt(rdf_txt, names=True, delimiter=",")
+        y= line["rdf"]
+        peaks = signal.find_peaks(y)
+        assert isinstance(y, np.ndarray)
+        assert isinstance(peaks, tuple)

cmeutils/tests/test_structure.py

@@ -5,7 +5,7 @@
 import numpy as np
 import freud
 
-from cmeutils.tests.base_test import BaseTest
+from base_test import BaseTest
 
 from cmeutils.structure import gsd_rdf, get_quaternions, order_parameter, all_atom_rdf, get_centers