Yaml writer addition

rmgpy/reaction.py

@@ -1439,7 +1439,7 @@ def is_balanced(self):
         from rmgpy.molecule.element import element_list
         from rmgpy.molecule.fragment import CuttingLabel, Fragment
 
-        cython.declare(reactant_elements=dict, product_elements=dict, molecule=Graph, atom=Vertex, element=Element,
+        cython.declare(reactant_elements=dict, product_elements=dict, molecule=Molecule, atom=Atom, element=Element,
                        reactants_net_charge=cython.int, products_net_charge=cython.int)
 
         reactant_elements = {}

rmgpy/rmg/main.py

@@ -83,7 +83,8 @@
 from rmgpy.thermo.thermoengine import submit
 from rmgpy.tools.plot import plot_sensitivity
 from rmgpy.tools.uncertainty import Uncertainty, process_local_results
-from rmgpy.yml import RMSWriter
+from rmgpy.yaml_rms import RMSWriter
+from rmgpy.yaml_cantera import CanteraWriter
 
 ################################################################################
 
@@ -773,7 +774,7 @@ def register_listeners(self, requires_rms=False):
         self.attach(ChemkinWriter(self.output_directory))
 
         self.attach(RMSWriter(self.output_directory))
-
+        self.attach(CanteraWriter(self.output_directory))
         if self.generate_output_html:
             self.attach(OutputHTMLWriter(self.output_directory))
 
@@ -1812,7 +1813,7 @@ def generate_cantera_files(self, chemkin_file, **kwargs):
         """
         transport_file = os.path.join(os.path.dirname(chemkin_file), "tran.dat")
         file_name = os.path.splitext(os.path.basename(chemkin_file))[0] + ".yaml"
-        out_name = os.path.join(self.output_directory, "cantera", file_name)
+        out_name = os.path.join(self.output_directory, "cantera_from_ck", file_name)
         if "surface_file" in kwargs:
             out_name = out_name.replace("-gas.", ".")
         cantera_dir = os.path.dirname(out_name)