Add CheMFC test cases

Author: henryleberre

examples/1D_inert_shocktube/case.py

@@ -4,8 +4,20 @@
 # + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube
 
 import json
+import argparse
+
 import cantera as ct
 
+parser = argparse.ArgumentParser(
+    prog="nD_inert_shocktube",
+    formatter_class=argparse.ArgumentDefaultsHelpFormatter)
+
+parser.add_argument("--mfc",     type=str,    default='{}', metavar="DICT")
+parser.add_argument("--no-chem", dest='chem', default=True, action="store_false",
+                                 help="Disable chemistry.")
+
+args = parser.parse_args()
+
 ctfile    = 'h2o2.yaml'
 sol_L     = ct.Solution(ctfile)
 sol_L.TPX =  400,  8000, 'H2:2,O2:1,AR:7'
@@ -18,7 +30,6 @@
 dt   = 5e-9
 Tend = 40e-6
 
-chemistry  = True
 NT         = int(Tend / dt)
 SAVE_COUNT = 200
 NS         = NT // SAVE_COUNT
@@ -62,7 +73,7 @@
     # ==========================================================================
 
     # Chemistry ================================================================
-    'chemistry'                    : 'F' if not chemistry else 'T',
+    'chemistry'                    : 'F' if not args.chem else 'T',
     'chem_params%advection'        : 'T',
     'chem_params%diffusion'        : 'F',
     'chem_params%reactions'        : 'T',
@@ -104,7 +115,7 @@
     # ==========================================================================
 }
 
-if chemistry:
+if args.chem:
     for i in range(len(sol_L.Y)):
         case[f'patch_icpp(1)%Y({i+1})'] = sol_L.Y[i]
         case[f'patch_icpp(2)%Y({i+1})'] = sol_R.Y[i]

examples/nD_perfect_reactor/analyze.py

@@ -4,7 +4,7 @@
 import matplotlib.pyplot as plt
 
 import mfc.viz
-from case import dt, NS, Tend, SAVE_COUNT, sol
+from case import dt, Tend, SAVE_COUNT, sol
 
 
 case = mfc.viz.Case(".", dt)

examples/nD_perfect_reactor/case.py

@@ -9,7 +9,7 @@
 import cantera as ct
 
 parser = argparse.ArgumentParser(
-    prog="nD_Reactor",
+    prog="nD_perfect_reactor",
     formatter_class=argparse.ArgumentDefaultsHelpFormatter)
 
 parser.add_argument("--mfc",     type=str,    default='{}', metavar="DICT")
@@ -28,10 +28,10 @@
 Nx   = 25 * args.scale
 Tend = 1e-4
 s    = 1e-2
-dt   = 1e-9
+dt   = 2e-7
 
 NT         = int(Tend / dt)
-SAVE_COUNT = 2000
+SAVE_COUNT = 100
 NS         = NT // SAVE_COUNT
 
 case = {