[Python/Examples] Update examples to use new SolutionArray features

interfaces/cython/cantera/examples/reactors/custom.py

@@ -52,23 +52,21 @@ def __call__(self, t, y):
 
 # Integrate the equations, keeping T(t) and Y(k,t)
 t_end = 1e-3
-t_out = [0.0]
-states = ct.SolutionArray(gas, 1)
+states = ct.SolutionArray(gas, 1, extra={'t': [0.0]})
 dt = 1e-5
 while solver.successful() and solver.t < t_end:
     solver.integrate(solver.t + dt)
-    t_out.append(solver.t)
     gas.TPY = solver.y[0], P, solver.y[1:]
-    states.append(gas.state)
+    states.append(gas.state, t=solver.t)
 
 # Plot the results
 try:
     import matplotlib.pyplot as plt
-    L1 = plt.plot(t_out, states.T, color='r', label='T', lw=2)
+    L1 = plt.plot(states.t, states.T, color='r', label='T', lw=2)
     plt.xlabel('time (s)')
     plt.ylabel('Temperature (K)')
     plt.twinx()
-    L2 = plt.plot(t_out, states.Y[:,gas.species_index('OH')], label='OH', lw=2)
+    L2 = plt.plot(states.t, states('OH').Y, label='OH', lw=2)
     plt.ylabel('Mass Fraction')
     plt.legend(L1+L2, [line.get_label() for line in L1+L2], loc='lower right')
     plt.show()

interfaces/cython/cantera/examples/reactors/ic_engine.py

@@ -223,10 +223,10 @@ def piston_speed(t):
 # gas composition
 plt.figure()
 plt.clf()
-plt.plot(t, states.X[:, gas.species_index('O2')], label='O2')
-plt.plot(t, states.X[:, gas.species_index('CO2')], label='CO2')
-plt.plot(t, states.X[:, gas.species_index('CO')], label='CO')
-plt.plot(t, states.X[:, gas.species_index('C3H8')] * 10, label='C3H8 x10')
+plt.plot(t, states('O2').X, label='O2')
+plt.plot(t, states('CO2').X, label='CO2')
+plt.plot(t, states('CO').X, label='CO')
+plt.plot(t, states('C3H8').X * 10, label='C3H8 x10')
 plt.legend(loc=0)
 plt.ylabel('$X_i$ [-]')
 plt.xlabel('$\phi$ [deg]')
@@ -245,8 +245,7 @@ def piston_speed(t):
 W = trapz(d_W_v_d_t, t)
 eta = W / Q
 MW = states.mean_molecular_weight
-CO_emission = trapz(MW * mdot_out * states.X[:, gas.species_index('CO')], t) \
-    / trapz(MW * mdot_out, t)
+CO_emission = trapz(MW * mdot_out * states('CO').X, t) / trapz(MW * mdot_out, t)
 print('Heat release rate per cylinder (estimate):\t' +
       format(Q / t_sim / 1000., ' 2.1f') + ' kW')
 print('Expansion power per cylinder (estimate):\t' +

interfaces/cython/cantera/examples/reactors/periodic_cstr.py

@@ -75,21 +75,18 @@
 t = 0.0
 dt   = 0.1
 
-tm = []
-y = []
+states = ct.SolutionArray(gas, extra=['t'])
 while t < 300.0:
     t += dt
     network.advance(t)
-    tm.append(t)
-    y.append(cstr.thermo['H2','O2','H2O'].Y)
+    states.append(cstr.thermo.state, t=t)
 
 if __name__ == '__main__':
     print(__doc__)
     try:
         import matplotlib.pyplot as plt
         plt.figure(1)
-        plt.plot(tm, y)
-        plt.legend(['H2','O2','H2O'])
+        plt.plot(states.t, states('H2','O2','H2O').Y)
         plt.title('Mass Fractions')
         plt.show()
     except ImportError:

interfaces/cython/cantera/examples/reactors/piston.py

@@ -48,12 +48,8 @@ def v(t):
 
 net = ct.ReactorNet([r1, r2])
 
-tim = []
-v1 = []
-v2 = []
-v = []
-states1 = ct.SolutionArray(r1.thermo)
-states2 = ct.SolutionArray(r2.thermo)
+states1 = ct.SolutionArray(r1.thermo, extra=['t','v'])
+states2 = ct.SolutionArray(r2.thermo, extra=['t','v'])
 
 for n in range(200):
     time = (n+1)*0.001
@@ -62,31 +58,27 @@ def v(t):
         print(fmt % (time, r1.T, r2.T, r1.volume, r2.volume,
                      r1.volume + r2.volume, r2.thermo['CO'].X[0]))
 
-    tim.append(time * 1000)
-    states1.append(r1.thermo.state, v=r1.volume)
-    states2.append(r2.thermo.state)
-    v1.append(r1.volume)
-    v2.append(r2.volume)
-    v.append(r1.volume + r2.volume)
-
+    states1.append(r1.thermo.state, t=1000*time, v=r1.volume)
+    states2.append(r2.thermo.state, t=1000*time, v=r2.volume)
 
 # plot the results if matplotlib is installed.
 if '--plot' in sys.argv:
     import matplotlib.pyplot as plt
     plt.subplot(2,2,1)
-    plt.plot(tim, states1.T, '-', tim, states2.T, 'r-')
+    plt.plot(states1.t, states1.T, '-', states2.t, states2.T, 'r-')
     plt.xlabel('Time (ms)')
     plt.ylabel('Temperature (K)')
     plt.subplot(2,2,2)
-    plt.plot(tim,v1,'-',tim,v2,'r-',tim,v,'g-')
+    plt.plot(states1.t, states1.v,'-', states2.t, states2.v, 'r-',
+             states1.t, states1.v + states2.v, 'g-')
     plt.xlabel('Time (ms)')
     plt.ylabel('Volume (m3)')
     plt.subplot(2,2,3)
-    plt.plot(tim, states2.X[:,states2.species_index('CO')])
+    plt.plot(states2.t, states2('CO').X)
     plt.xlabel('Time (ms)')
     plt.ylabel('CO Mole Fraction (right)')
     plt.subplot(2,2,4)
-    plt.plot(tim, states1.X[:,states1.species_index('H2')])
+    plt.plot(states1.t, states1('H2').X)
     plt.xlabel('Time (ms)')
     plt.ylabel('H2 Mole Fraction (left)')
     plt.tight_layout()

interfaces/cython/cantera/examples/reactors/sensitivity1.py

@@ -26,52 +26,41 @@
 sim.rtol_sensitivity = 1.0e-6
 sim.atol_sensitivity = 1.0e-6
 
+states = ct.SolutionArray(gas, extra=['t','s2','s3'])
 
-n_times = 400
-tim = np.zeros(n_times)
-data = np.zeros((n_times,6))
-
-time = 0.0
-for n in range(n_times):
-    time += 5.0e-6
-    sim.advance(time)
-    tim[n] = 1000 * time
-    data[n,0] = r.T
-    data[n,1:4] = r.thermo['OH','H','CH4'].X
-
-    # sensitivity of OH to reaction 2
-    data[n,4] = sim.sensitivity('OH',2)
-
-    # sensitivity of OH to reaction 3
-    data[n,5] = sim.sensitivity('OH',3)
+for t in np.arange(0, 2e-3, 5e-6):
+    sim.advance(t)
+    s2 = sim.sensitivity('OH', 2) # sensitivity of OH to reaction 2
+    s3 = sim.sensitivity('OH', 3) # sensitivity of OH to reaction 3
+    states.append(r.thermo.state, t=1000*t, s2=s2, s3=s3)
 
     print('%10.3e %10.3f %10.3f %14.6e %10.3f %10.3f' %
-          (sim.time, r.T, r.thermo.P, r.thermo.u,  data[n,4],  data[n,5]))
+          (sim.time, r.T, r.thermo.P, r.thermo.u, s2, s3))
 
 # plot the results if matplotlib is installed.
 # see http://matplotlib.org/ to get it
 if '--plot' in sys.argv:
     import matplotlib.pyplot as plt
     plt.subplot(2,2,1)
-    plt.plot(tim,data[:,0])
+    plt.plot(states.t, states.T)
     plt.xlabel('Time (ms)')
     plt.ylabel('Temperature (K)')
     plt.subplot(2,2,2)
-    plt.plot(tim,data[:,1])
+    plt.plot(states.t, states('OH').X)
     plt.xlabel('Time (ms)')
     plt.ylabel('OH Mole Fraction')
     plt.subplot(2,2,3)
-    plt.plot(tim,data[:,2])
+    plt.plot(states.t, states('H').X)
     plt.xlabel('Time (ms)')
     plt.ylabel('H Mole Fraction')
     plt.subplot(2,2,4)
-    plt.plot(tim,data[:,3])
+    plt.plot(states.t, states('CH4').X)
     plt.xlabel('Time (ms)')
-    plt.ylabel('H2 Mole Fraction')
+    plt.ylabel('CH4 Mole Fraction')
     plt.tight_layout()
 
     plt.figure(2)
-    plt.plot(tim,data[:,4],'-',tim,data[:,5],'-g')
+    plt.plot(states.t, states.s2, '-', states.t, states.s3, '-g')
     plt.legend([sim.sensitivity_parameter_name(2),sim.sensitivity_parameter_name(3)],'best')
     plt.xlabel('Time (ms)')
     plt.ylabel('OH Sensitivity')