Update test_analysis.py

Add test for extracting work distributions.
choderalab · Mar 23, 2018 · 114514d · 114514d
1 parent 1e40aef
commit 114514d
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/protons/tests/test_analysis.py b/protons/tests/test_analysis.py
@@ -97,3 +97,8 @@ def test_taut_heatmap(self):
         """Plot the heatmap of residue charges"""
         with netCDF4.Dataset(self.abl_imatinib_netcdf, 'r') as dataset:
             analysis.plot_tautomer_heatmap(dataset, residues=None)
+
+    def test_extracting_work(self):
+        """Extract work distributions for a single residue"""
+        with netCDF4.Dataset(self.abl_imatinib_netcdf, 'r') as dataset:
+            analysis.extract_work_distributions(dataset, 0, 1, -1)