first failing unit test

nomad_dos_fingerprints/DOSfingerprint.py

@@ -10,5 +10,8 @@ class DOSFingerprint():
         self.indices = []
 
 
-    def calculate(dos_energies, dos_values):
+    def calculate(self, dos_energies, dos_values):
         pass
+
+    def _integrate_to_bins(self, xs, ys):
+        return xs, ys
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tests/test_DOSfingerprint.py

+import pytest
+import numpy as np
+
+from nomad_dos_fingerprints import DOSFingerprint
+
+def test_integrate_to_bins():
+    test_data_x = np.linspace(0, np.pi, num = 100)
+    test_data_y = [np.sin(x) for x in test_data_x]
+    fp = DOSFingerprint()
+    energies, dos = fp._integrate_to_bins(test_data_x, test_data_y)
+    assert np.isclose(sum(dos), 2)
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