Merge pull request #6 from DENG-MIT/master

update

reactorch/__init__.py

@@ -1,3 +1,3 @@
-from .Solution import *
-from . import chemical_kinetic
-from . import load_mechanism
+from . import import_kinetics
+from . import kinetics
+from .solution import *

reactorch/load_mechanism.py → reactorch/import_kinetics.py

@@ -244,4 +244,4 @@ def set_reactions(self):
                 self.mat_transfer_type4_Troe[i,index] = 1
 
                 index_in_type4 = self.list_id_Troe_in_type4[i]
-                self.mat_transfer_type4_to_Troe[index_in_type4,i] = 1
+                self.mat_transfer_type4_to_Troe[index_in_type4,i] = 1

reactorch/solution.py

@@ -18,6 +18,17 @@
 
 
 class Solution(nn.Module):
+
+    from .import_kinetics import set_nasa
+    from .import_kinetics import set_reactions
+
+    from .kinetics import forward_rate_constants_func
+    from .kinetics import forward_rate_constants_func_vec
+    from .kinetics import forward_rate_constants_func_matrix
+    from .kinetics import equilibrium_constants_func
+    from .kinetics import reverse_rate_constants_func
+    from .kinetics import wdot_func
+
     def __init__(self, mech_yaml=None, device=None,vectorize=False):
         super(Solution, self).__init__()
 
@@ -56,9 +67,6 @@ def __init__(self, mech_yaml=None, device=None,vectorize=False):
             self.set_nasa()
 
             self.set_reactions()
-
-    from load_mechanism import set_nasa
-    from load_mechanism import set_reactions
 
     def set_pressure(self, P):
         self.P_ref = torch.Tensor([P]).to(self.device)
@@ -123,13 +131,6 @@ def update_transport(self):
 
         self.binary_diff_coeffs_func()                    
 
-    from chemical_kinetic import forward_rate_constants_func
-    from chemical_kinetic import forward_rate_constants_func_vec
-    from chemical_kinetic import forward_rate_constants_func_matrix
-    from chemical_kinetic import equilibrium_constants_func
-    from chemical_kinetic import reverse_rate_constants_func
-    from chemical_kinetic import wdot_func
-
     def set_transport(self, species_viscosities_poly, thermal_conductivity_poly, binary_diff_coeffs_poly):
         # Transport Properties