Merge pull request #136 from naik-aakash/add_units_to_plotters

Add units to plotters

.github/workflows/python-package.yml

@@ -42,7 +42,7 @@ jobs:
       # run this locally to update tests durations
       # pytest --cov=lobsterpy --cov-append --splits 1 --group 1 --durations-path ./lobsterpy/TestData/.pytest-split-durations --store-durations
       run: |
-        pytest --cov=lobsterpy --cov-report term-missing --cov-append  --splits 5 --group ${{ matrix.split }} --durations-path ./lobsterpy/TestData/.pytest-split-durations
+        pytest --cov=lobsterpy --cov-report term-missing --cov-append --splits 5 --group ${{ matrix.split }} --durations-path ./lobsterpy/TestData/.pytest-split-durations
     - name: Upload coverage
       uses: actions/upload-artifact@v3
       with:

lobsterpy/plotting/__init__.py

@@ -100,13 +100,13 @@ def get_plot(
                 "Plot data should not contain COBI and COOP data at same time"
             )
         else:
-            cohp_label = "COHP"
+            cohp_label = "COHP" + " (eV)"
 
         if plot_negative is None:
             plot_negative = (not self.are_coops) and (not self.are_cobis)
 
         if integrated:
-            cohp_label = "I" + cohp_label + " (eV)"
+            cohp_label = "I" + cohp_label
 
         if plot_negative:
             cohp_label = "$-$" + cohp_label
@@ -495,21 +495,21 @@ def get_plot(
                 "Plot data should not contain COBI and COOP data at same time"
             )
         else:
-            cohp_label = "COHP"
+            cohp_label = "COHP" + " (eV)"
 
         if plot_negative is None:
             plot_negative = (not self.are_coops) and (not self.are_cobis)
 
         if integrated:
-            cohp_label = "I" + cohp_label + " (eV)"
+            cohp_label = "I" + cohp_label
 
         if plot_negative:
             cohp_label = "\u2212" + cohp_label
 
         if self.zero_at_efermi:
-            energy_label = "$E - E_f$ (eV)"
+            energy_label = "$E - E_f \\text{ (eV)}$"
         else:
-            energy_label = "$E$ (eV)"
+            energy_label = "$E \\text{ (eV)}$"
 
         # Setting up repeating color scheme (same as for matplotlib plots in .mplstyle)
         if colors is None:

lobsterpy/plotting/test/test_plotting.py

@@ -71,7 +71,6 @@ def test_add_all_relevant_cohps_NaCl(self):
         self.iplotter.add_all_relevant_cohps(
             analyse=self.analyse_NaCl, label_resolved=False, suffix=""
         )
-        # self.assertIn("Please select COHP label here", self.iplotter._cohps)
         self.assertIn("All", self.iplotter._cohps)
         self.assertEqual(len(self.iplotter._cohps), 1)
 
@@ -246,7 +245,7 @@ def test_plot_labels(self):
         self.plotter = PlainCohpPlotter()
         fig = self.plotter.get_plot().gca()
 
-        self.assertEqual(fig.get_xlabel(), "$-$COHP")
+        self.assertEqual(fig.get_xlabel(), "$-$COHP (eV)")
 
         # interactive plotter
         self.iplotter = InteractiveCohpPlotter(are_cobis=True)
@@ -262,7 +261,8 @@ def test_plot_labels(self):
         self.iplotter = InteractiveCohpPlotter()
         fig = self.iplotter.get_plot()
 
-        self.assertEqual(fig.layout.xaxis["title"]["text"], "−COHP")
+        self.assertEqual(fig.layout.xaxis["title"]["text"], "−COHP (eV)")
+        self.assertEqual(fig.layout.yaxis["title"]["text"], "$E - E_f \\text{ (eV)}$")
 
 
 class IcohpDistancePlotterTest(unittest.TestCase):