[1D/Examples] Use 'auto' to simplify 1D examples

interfaces/cython/cantera/examples/kinetics/extract_submechanism.py

@@ -63,11 +63,8 @@ def solve_flame(gas):
     sim.reactants.mdot = 0.12 # kg/m^2/s
     sim.products.mdot = 0.06 # kg/m^2/s
 
-    sim.energy_enabled = False
-    sim.solve(0, refine_grid=False)
     sim.set_refine_criteria(ratio=3, slope=0.1, curve=0.2)
-    sim.energy_enabled = True
-    sim.solve(0, refine_grid=True)
+    sim.solve(0, auto=True)
     return sim
 
 t1 = default_timer()

interfaces/cython/cantera/examples/onedim/adiabatic_flame.py

@@ -10,43 +10,34 @@ import numpy as np
 p = ct.one_atm  # pressure [Pa]
 Tin = 300.0  # unburned gas temperature [K]
 reactants = 'H2:1.1, O2:1, AR:5'  # premixed gas composition
-
 width = 0.03  # m
 loglevel = 1  # amount of diagnostic output (0 to 8)
-refine_grid = True  # 'True' to enable refinement, 'False' to disable
 
 # IdealGasMix object used to compute mixture properties, set to the state of the
 # upstream fuel-air mixture
 gas = ct.Solution('h2o2.xml')
 gas.TPX = Tin, p, reactants
 
-# Flame object
+# Set up flame object
 f = ct.FreeFlame(gas, width=width)
+f.set_refine_criteria(ratio=3, slope=0.06, curve=0.12)
 f.show_solution()
 
-# Solve with the energy equation disabled
-f.energy_enabled = False
+# Solve with mixture-averaged transport model
 f.transport_model = 'Mix'
-f.solve(loglevel=loglevel, refine_grid=False)
-f.save('h2_adiabatic.xml', 'no_energy',
-       'solution with the energy equation disabled')
+f.solve(loglevel=loglevel, auto=True)
 
 # Solve with the energy equation enabled
-f.set_refine_criteria(ratio=3, slope=0.06, curve=0.12)
-f.energy_enabled = True
-f.solve(loglevel=loglevel, refine_grid=refine_grid)
-f.save('h2_adiabatic.xml', 'energy',
-       'solution with mixture-averaged transport')
+f.save('h2_adiabatic.xml', 'mix', 'solution with mixture-averaged transport')
 f.show_solution()
 print('mixture-averaged flamespeed = {0:7f} m/s'.format(f.u[0]))
 
 # Solve with multi-component transport properties
 f.transport_model = 'Multi'
-f.solve(loglevel, refine_grid)
+f.solve(loglevel) # don't use 'auto' on subsequent solves
 f.show_solution()
 print('multicomponent flamespeed = {0:7f} m/s'.format(f.u[0]))
-f.save('h2_adiabatic.xml','energy_multi',
-       'solution with multicomponent transport')
+f.save('h2_adiabatic.xml','multi', 'solution with multicomponent transport')
 
 # write the velocity, temperature, density, and mole fractions to a CSV file
 f.write_csv('h2_adiabatic.csv', quiet=False)

interfaces/cython/cantera/examples/onedim/burner_flame.py

@@ -9,39 +9,24 @@ p = 0.05 * ct.one_atm
 tburner = 373.0
 mdot = 0.06
 reactants = 'H2:1.5, O2:1, AR:7'  # premixed gas composition
-
 width = 0.5 # m
 loglevel = 1  # amount of diagnostic output (0 to 5)
-refine_grid = 1  # 1 to enable refinement, 0 to disable
 
 gas = ct.Solution('h2o2.xml')
 gas.TPX = tburner, p, reactants
 
 f = ct.BurnerFlame(gas, width=width)
 f.burner.mdot = mdot
-
-f.set_initial_guess()
+f.set_refine_criteria(ratio=3.0, slope=0.05, curve=0.1)
 f.show_solution()
 
-f.energy_enabled = False
 f.transport_model = 'Mix'
-f.solve(loglevel, refine_grid=False)
-f.save('h2_burner_flame.xml', 'no_energy',
-       'solution with the energy equation disabled')
-
-f.set_refine_criteria(ratio=3.0, slope=0.05, curve=0.1)
-f.energy_enabled = True
-f.solve(loglevel, refine_grid)
-f.save('h2_burner_flame.xml', 'energy',
-       'solution with the energy equation enabled')
-
-#print('mixture-averaged flamespeed = ', f.u[0])
+f.solve(loglevel, auto=True)
+f.save('h2_burner_flame.xml', 'mix', 'solution with mixture-averaged transport')
 
 f.transport_model = 'Multi'
-f.solve(loglevel, refine_grid)
+f.solve(loglevel) # don't use 'auto' on subsequent solves
 f.show_solution()
-print('multicomponent flamespeed = ', f.u[0])
-f.save('h2_burner_flame.xml','energy_multi',
-       'solution with the energy equation enabled and multicomponent transport')
+f.save('h2_burner_flame.xml', 'multi', 'solution with multicomponent transport')
 
 f.write_csv('h2_burner_flame.csv', quiet=False)

interfaces/cython/cantera/examples/onedim/diffusion_flame.py

@@ -19,7 +19,6 @@ comp_f = 'C2H6:1'  # fuel composition
 width = 0.02 # Distance between inlets is 2 cm
 
 loglevel = 1  # amount of diagnostic output (0 to 5)
-refine_grid = 1   # 1 to enable refinement, 0 to disable
 
 # Create the gas object used to evaluate all thermodynamic, kinetic, and
 # transport properties.
@@ -45,16 +44,10 @@ f.set_boundary_emissivities(0.0, 0.0)
 # Turn radiation off
 f.radiation_enabled = False
 
-# First disable the energy equation and solve the problem without
-# refining the grid
-f.energy_enabled = False
-f.solve(loglevel, refine_grid=False)
-
-# Now specify grid refinement criteria, turn on the energy equation,
-# and solve the problem again.
-f.energy_enabled = True
 f.set_refine_criteria(ratio=4, slope=0.2, curve=0.3, prune=0.04)
-f.solve(loglevel, refine_grid=refine_grid)
+
+# Solve the problem
+f.solve(loglevel, auto=True)
 f.show_solution()
 f.save('c2h6_diffusion.xml')
 
@@ -72,7 +65,7 @@ plt.xlim(0.000, 0.020)
 
 # Turn on radiation and solve again
 f.radiation_enabled = True
-f.solve(loglevel = 1, refine_grid = 0)
+f.solve(loglevel=1, refine_grid=False)
 f.show_solution()
 
 # Plot Temperature with radiation

interfaces/cython/cantera/examples/onedim/diffusion_flame_batch.py

@@ -28,9 +28,6 @@ data_directory = 'diffusion_flame_batch_data/'
 if not os.path.exists(data_directory):
     os.makedirs(data_directory)
 
-# Set refinement: False for fast simulations, True for smoother curves
-refine = True
-
 # PART 1: INITIALIZATION
 
 # Set up an initial hydrogen-oxygen counterflow flame at 1 bar and low strain
@@ -65,7 +62,7 @@ f.set_interrupt(interrupt_extinction)
 
 # Initialize and solve
 print('Creating the initial solution')
-f.solve(loglevel=0, refine_grid=refine)
+f.solve(loglevel=0, auto=True)
 
 # Save to data directory
 file_name = 'initial_solution.xml'
@@ -116,7 +113,7 @@ for p in p_range:
 
     try:
         # Try solving the flame
-        f.solve(loglevel=0, refine_grid=refine)
+        f.solve(loglevel=0)
         file_name = 'pressure_loop_' + format(p, '05.1f') + '.xml'
         f.save(data_directory + file_name, name='solution', loglevel=1,
                description='Cantera version ' + ct.__version__ +
@@ -168,7 +165,7 @@ while np.max(f.T) > temperature_limit_extinction:
     f.set_profile('lambda', normalized_grid, f.L * strain_factor ** exp_lam_a)
     try:
         # Try solving the flame
-        f.solve(loglevel=0, refine_grid=refine)
+        f.solve(loglevel=0)
         file_name = 'strain_loop_' + format(n, '02d') + '.xml'
         f.save(data_directory + file_name, name='solution', loglevel=1,
                description='Cantera version ' + ct.__version__ +

interfaces/cython/cantera/examples/onedim/diffusion_flame_extinction.py

@@ -43,8 +43,6 @@ f.oxidizer_inlet.mdot = 3.0  # kg/m^2/s
 f.oxidizer_inlet.X = 'O2:1'
 f.oxidizer_inlet.T = 500  # K
 
-# Enable refinement
-refine = True
 # Set refinement parameters
 f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0.03)
 
@@ -54,7 +52,7 @@ temperature_limit_extinction = 500  # K
 
 # Initialize and solve
 print('Creating the initial solution')
-f.solve(loglevel=0, refine_grid=refine)
+f.solve(loglevel=0, auto=True)
 
 # Save to data directory
 file_name = 'initial_solution.xml'
@@ -117,7 +115,7 @@ while True:
     # Update pressure curvature
     f.set_profile('lambda', normalized_grid, f.L * strain_factor ** exp_lam_a)
     try:
-        f.solve(loglevel=0, refine_grid=refine)
+        f.solve(loglevel=0)
     except Exception as e:
         # Throw Exception if solution fails
         print('Error: Did not converge at n =', n, e)

interfaces/cython/cantera/examples/onedim/flamespeed_sensitivity.py

@@ -26,15 +26,9 @@ gas.TPX = Tin, p, reactants
 f = ct.FreeFlame(gas, width=width)
 f.flame.set_steady_tolerances(default=tol_ss)
 f.flame.set_transient_tolerances(default=tol_ts)
-
-# Solve with the energy equation disabled
-f.energy_enabled = False
-f.solve(loglevel=1, refine_grid=False)
-
-# Solve with the energy equation enabled
 f.set_refine_criteria(ratio=3, slope=0.07, curve=0.14)
-f.energy_enabled = True
-f.solve(loglevel=1, refine_grid=True)
+
+f.solve(loglevel=1, auto=True)
 
 Su0 = f.u[0]
 print('\nmixture-averaged flamespeed = {:7f} m/s\n'.format(f.u[0]))

interfaces/cython/cantera/examples/onedim/premixed_counterflow_flame.py

@@ -6,8 +6,6 @@ flowfield, with an opposed flow consisting of equilibrium products.
 """
 
 import cantera as ct
-import numpy as np
-import os
 
 # parameter values
 p = 0.05 * ct.one_atm  # pressure
@@ -20,12 +18,6 @@ comp = 'H2:1.6, O2:1, AR:7'  # premixed gas composition
 width = 0.2 # m
 loglevel = 1  # amount of diagnostic output (0 to 5)
 
-# Grid refinement parameters
-ratio = 3
-slope = 0.1
-curve = 0.2
-prune = 0.02
-
 # Set up the problem
 gas = ct.Solution(rxnmech)
 
@@ -35,6 +27,9 @@ gas.TPX = T_in, p, comp
 # Create the flame simulation object
 sim = ct.CounterflowPremixedFlame(gas=gas, width=width)
 
+# Set grid refinement parameters
+sim.set_refine_criteria(ratio=3, slope=0.1, curve=0.2, prune=0.02)
+
 # set the boundary flow rates
 sim.reactants.mdot = mdot_reactants
 sim.products.mdot = mdot_products
@@ -42,12 +37,7 @@ sim.products.mdot = mdot_products
 sim.set_initial_guess()  # assume adiabatic equilibrium products
 sim.show_solution()
 
-sim.energy_enabled = False
-sim.solve(loglevel, False)
-
-sim.set_refine_criteria(ratio=ratio, slope=slope, curve=curve, prune=prune)
-sim.energy_enabled = True
-sim.solve(loglevel)
+sim.solve(loglevel, auto=True)
 
 # write the velocity, temperature, and mole fractions to a CSV file
 sim.write_csv('premixed_counterflow.csv', quiet=False)

interfaces/cython/cantera/examples/onedim/stagnation_flame.py

@@ -35,7 +35,6 @@ comp = 'H2:1.8, O2:1, AR:7'  # premixed gas composition
 width = 0.2 # m
 
 loglevel = 1  # amount of diagnostic output (0 to 5)
-refine_grid = True
 
 # Grid refinement parameters
 ratio = 3
@@ -61,15 +60,12 @@ sim.inlet.mdot = mdot[0]
 sim.surface.T = tsurf
 
 sim.set_grid_min(1e-4)
-sim.energy_enabled = False
+sim.set_refine_criteria(ratio=ratio, slope=slope, curve=curve, prune=prune)
 
 sim.set_initial_guess(products='equil')  # assume adiabatic equilibrium products
 sim.show_solution()
 
-sim.solve(loglevel, refine_grid)
-
-sim.set_refine_criteria(ratio=ratio, slope=slope, curve=curve, prune=prune)
-sim.energy_enabled = True
+sim.solve(loglevel, auto=True)
 
 outfile = 'stflame1.xml'
 if os.path.exists(outfile):
@@ -77,7 +73,7 @@ if os.path.exists(outfile):
 
 for m,md in enumerate(mdot):
     sim.inlet.mdot = md
-    sim.solve(loglevel,refine_grid)
+    sim.solve(loglevel)
     sim.save(outfile, 'mdot{0}'.format(m), 'mdot = {0} kg/m2/s'.format(md))
 
     # write the velocity, temperature, and mole fractions to a CSV file

interfaces/cython/cantera/examples/surface_chemistry/catalytic_combustion.py

@@ -34,7 +34,6 @@ comp2 = 'CH4:0.095, O2:0.21, N2:0.78, AR:0.01'
 width = 0.1 # m
 
 loglevel = 1  # amount of diagnostic output (0 to 5)
-refine_grid = True  # enable or disable refinement
 
 ################ create the gas object ########################
 #
@@ -77,9 +76,6 @@ sim.show_solution()
 # sequential approach where solutions are first obtained for simpler problems
 # and used as the initial guess for more difficult problems.
 
-# start with the energy equation on (default is 'off')
-sim.energy_enabled = True
-
 # disable the surface coverage equations, and turn off all gas and surface
 # chemistry.
 sim.surface.coverage_enabled = False
@@ -88,7 +84,7 @@ gas.set_multiplier(0.0)
 
 # solve the problem, refining the grid if needed, to determine the non-
 # reacting velocity and temperature distributions
-sim.solve(loglevel, refine_grid)
+sim.solve(loglevel, auto=True)
 
 # now turn on the surface coverage equations, and turn the chemistry on slowly
 sim.surface.coverage_enabled = True
@@ -96,7 +92,7 @@ for mult in np.logspace(-5, 0, 6):
     surf_phase.set_multiplier(mult)
     gas.set_multiplier(mult)
     print('Multiplier =', mult)
-    sim.solve(loglevel, refine_grid)
+    sim.solve(loglevel)
 
 # At this point, we should have the solution for the hydrogen/air problem.
 sim.show_solution()
@@ -108,7 +104,7 @@ sim.inlet.X = comp2
 sim.set_refine_criteria(100.0, 0.15, 0.2, 0.0)
 
 # solve the problem for the final time
-sim.solve(loglevel, refine_grid)
+sim.solve(loglevel)
 
 # show the solution
 sim.show_solution()