PyIRoGlass v0.2.1 released!

.github/workflows/main.yml

@@ -9,6 +9,7 @@ on:
   release:
     types: [ created ]
 
+
 jobs:
   test:
     runs-on: ubuntu-latest

UnitTests/test_concentration.py

@@ -119,9 +119,8 @@ def test_concentration(self):
         density_epsilon, mega_spreadsheet = pig.Concentration_Output(self.PH, self.N, self.thickness, self.MI_Composition, self.T_room, self.P_room)
         expected_H2O = 2.54389275724829
         expected_CO2 = 738.262088884613
-        self.assertAlmostEqual(float(mega_spreadsheet['H2OT_MEAN']), expected_H2O, self.decimalPlace, msg="H2Ot test values from the saturated Concentration_Output equation do not agree")
-        self.assertAlmostEqual(float(mega_spreadsheet['CO2_MEAN']), expected_CO2, self.decimalPlace, msg="CO2m test values from the saturated Concentration_Output equation do not agree")
-
+        self.assertAlmostEqual(float(mega_spreadsheet['H2OT_MEAN'].iloc[0]), expected_H2O, self.decimalPlace, msg="H2Ot test values from the saturated Concentration_Output equation do not agree")
+        self.assertAlmostEqual(float(mega_spreadsheet['CO2_MEAN'].iloc[0]), expected_CO2, self.decimalPlace, msg="CO2m test values from the saturated Concentration_Output equation do not agree")
 
 
 if __name__ == '__main__':

src/PyIRoGlass/__init__.py

@@ -527,7 +527,7 @@ def modelfit(data, uncert, indparams, model, title, nbins=75,
     rax.errorbar(binindp, bindata-binmodel, binuncert, fmt='ko', ms=4)
     rax.plot([indparams[0], indparams[-1]], [0,0], 'k:', lw=1.5)
     rax.tick_params(labelsize=fs-1, direction='in', top=True, right=True)
-    rax.set_xlabel("Wavenumber (cm^-1)", fontsize=fs) # $(\mathregular{cm^{-1}})$
+    rax.set_xlabel("Wavenumber $(\mathregular{cm^{-1}})$", fontsize=fs) 
     rax.set_ylabel('Residual', fontsize=fs)
     rax.invert_xaxis()