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[Python] Allow SolutionArray to carry 'extra' variables

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This commit is contained in:
Ray Speth 2016-04-02 16:40:04 -04:00
parent 59e0f5a6d9
commit f2ac1f2347
3 changed files with 55 additions and 23 deletions
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42
interfaces/cython/cantera/composite.py
View file

@ -272,7 +272,7 @@ class SolutionArray(object):
slicing support.
"""
def __init__(self, phase, shape=(0,), states=None):
def __init__(self, phase, shape=(0,), states=None, extra=None):
self._phase = phase
if isinstance(shape, int):
@ -282,7 +282,7 @@ class SolutionArray(object):
self._shape = states.shape[:-1]
self._states = states
else:
self._shape = shape
self._shape = tuple(shape)
if len(shape) == 1:
S = [self._phase.state for _ in range(shape[0])]
else:
@ -297,11 +297,46 @@ class SolutionArray(object):
self._indices = list(np.ndindex(self._shape))
self._output_dummy = self._states[..., 0]
self._extra_lists = {}
self._extra_arrays = {}
if isinstance(extra, dict):
for name, v in extra.items():
if not np.shape(v):
self._extra_lists[name] = [v]*self._shape[0]
self._extra_arrays[name] = np.array(self._extra_lists[name])
elif len(v) == self._shape[0]:
self._extra_lists[name] = list(v)
else:
raise ValueError("Unable to map extra SolutionArray"
"input for named {!r}".format(name))
self._extra_arrays[name] = np.array(self._extra_lists[name])
elif extra and self._shape == (0,):
for name in extra:
self._extra_lists[name] = []
self._extra_arrays[name] = np.array(())
elif extra:
raise ValueError("Initial values for extra properties must be"
" supplied in a dict if the SolutionArray is not initially"
" empty")
def __getitem__(self, index):
states = self._states[index]
shape = states.shape[:-1]
return SolutionArray(self._phase, shape, states)
def __getattr__(self, name):
if name not in self._extra_lists:
raise AttributeError("'{}' object has no attribute '{}'".format(
self.__class__.__name__, name))
L = self._extra_lists[name]
A = self._extra_arrays[name]
if len(L) != len(A):
A = np.array(L)
self._extra_arrays[name] = A
return A
def append(self, state=None, **kwargs):
"""
Append an element to the array with the specified state. Elements can
@ -327,6 +362,9 @@ class SolutionArray(object):
if len(self._shape) != 1:
raise IndexError("Can only append to 1D SolutionArray")
for name, value in self._extra_lists.items():
value.append(kwargs.pop(name))
if state is not None:
self._phase.state = state

14
interfaces/cython/cantera/examples/reactors/reactor1.py
View file

@ -13,15 +13,13 @@ r = ct.IdealGasConstPressureReactor(gri3)
sim = ct.ReactorNet([r])
time = 0.0
times = np.zeros(100)
states = ct.SolutionArray(gri3, 100)
states = ct.SolutionArray(gri3, extra=['t'])
print('%10s %10s %10s %14s' % ('t [s]','T [K]','P [Pa]','u [J/kg]'))
for n in range(100):
time += 1.e-5
sim.advance(time)
times[n] = time * 1e3 # time in ms
states[n].TDY = r.thermo.TDY
states.append(r.thermo.state, t=time*1e3)
print('%10.3e %10.3f %10.3f %14.6e' % (sim.time, r.T,
r.thermo.P, r.thermo.u))
@ -31,19 +29,19 @@ if '--plot' in sys.argv[1:]:
import matplotlib.pyplot as plt
plt.clf()
plt.subplot(2, 2, 1)
plt.plot(times, states.T)
plt.plot(states.t, states.T)
plt.xlabel('Time (ms)')
plt.ylabel('Temperature (K)')
plt.subplot(2, 2, 2)
plt.plot(times, states.X[:,gri3.species_index('OH')])
plt.plot(states.t, states.X[:,gri3.species_index('OH')])
plt.xlabel('Time (ms)')
plt.ylabel('OH Mole Fraction')
plt.subplot(2, 2, 3)
plt.plot(times, states.X[:,gri3.species_index('H')])
plt.plot(states.t, states.X[:,gri3.species_index('H')])
plt.xlabel('Time (ms)')
plt.ylabel('H Mole Fraction')
plt.subplot(2, 2, 4)
plt.plot(times, states.X[:,gri3.species_index('H2')])
plt.plot(states.t, states.X[:,gri3.species_index('H2')])
plt.xlabel('Time (ms)')
plt.ylabel('H2 Mole Fraction')
plt.tight_layout()

22
interfaces/cython/cantera/examples/reactors/reactor2.py
View file

@ -67,21 +67,17 @@ outfile = open('piston.csv', 'w')
csvfile = csv.writer(outfile)
csvfile.writerow(['time (s)','T1 (K)','P1 (Bar)','V1 (m3)',
'T2 (K)','P2 (Bar)','V2 (m3)'])
states1 = ct.SolutionArray(ar)
states2 = ct.SolutionArray(gri3)
vol = np.zeros((n_steps, 2))
tm = np.zeros(n_steps)
states1 = ct.SolutionArray(ar, extra=['t', 'V'])
states2 = ct.SolutionArray(gri3, extra=['t', 'V'])
for n in range(n_steps):
time += 4.e-4
print(n, time, r2.T)
sim.advance(time)
tm[n] = time
states1.append(r1.thermo.state)
states2.append(r2.thermo.state)
vol[n,:] = r1.volume, r2.volume
csvfile.writerow([tm[n], r1.thermo.T, r1.thermo.P, vol[n,0],
r2.thermo.T, r2.thermo.P, vol[n,1]])
states1.append(r1.thermo.state, t=time, V=r1.volume)
states2.append(r2.thermo.state, t=time, V=r2.volume)
csvfile.writerow([time, r1.thermo.T, r1.thermo.P, r1.volume,
r2.thermo.T, r2.thermo.P, r2.volume])
outfile.close()
print('Output written to file piston.csv')
print('Directory: '+os.getcwd())
@ -90,19 +86,19 @@ if '--plot' in sys.argv:
import matplotlib.pyplot as plt
plt.clf()
plt.subplot(2,2,1)
h = plt.plot(tm, states1.T, 'g-', tm, states2.T, 'b-')
h = plt.plot(states1.t, states1.T, 'g-', states2.t, states2.T, 'b-')
#plt.legend(['Reactor 1','Reactor 2'],2)
plt.xlabel('Time (s)')
plt.ylabel('Temperature (K)')
plt.subplot(2,2,2)
plt.plot(tm, states1.P / 1e5, 'g-', tm, states2.P / 1e5, 'b-')
plt.plot(states1.t, states1.P / 1e5, 'g-', states2.t, states2.P / 1e5, 'b-')
#plt.legend(['Reactor 1','Reactor 2'],2)
plt.xlabel('Time (s)')
plt.ylabel('Pressure (Bar)')
plt.subplot(2,2,3)
plt.plot(tm, vol[:,0],'g-',tm, vol[:,1],'b-')
plt.plot(states1.t, states1.V, 'g-', states2.t, states2.V,'b-')
#plt.legend(['Reactor 1','Reactor 2'],2)
plt.xlabel('Time (s)')
plt.ylabel('Volume (m$^3$)')