Merge pull request #2829 from ReactionMechanismGenerator/adapt_rms_examples

Update Jupyter Notebooks to call RMS using juliacall

Author: jonwzheng

examples/rmg/catalysis/ch4_o2/simulate_ch4o2cat_RMS.ipynb

@@ -768,8 +768,8 @@ def register_listeners(self, requires_rms=False):
         """
 
         self.attach(ChemkinWriter(self.output_directory))
-        if requires_rms:
-            self.attach(RMSWriter(self.output_directory))
+        
+        self.attach(RMSWriter(self.output_directory))
 
         if self.generate_output_html:
             self.attach(OutputHTMLWriter(self.output_directory))

examples/rmg/superminimal/sensitivity_analysis_superminimal_RMS.ipynb

@@ -119,6 +119,11 @@ def test_rmg_seed_edge_library_creation(self):
         """Test that edge seed mechanisms are created in the correct database locations."""
         assert os.path.exists(self.seedKinetics)
 
+    def test_rmg_rms_mechanism_files_creation(self):
+        """Test that rms mechanisms are created in the correct location."""
+        assert os.path.exists(os.path.join(self.rmg.output_directory,"rms"))
+        assert len(os.listdir(os.path.join(self.rmg.output_directory,"rms"))) != 0
+        
     def test_rmg_seed_works(self):
         """Test that the created seed libraries work.