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[ReactorNet] improve handling of max_time_step

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* implement ReactorNet::maxTimeStep to allow for external queries
* implement getter/setter for property ReactorNet.max_time_step
* deprecate ReactorNet.set_max_time_step
This commit is contained in:
Ingmar Schoegl 2019-10-22 07:59:16 -05:00 • committed by Bryan W. Weber
parent 3b7eb0dc8d
commit 76901b7f50
4 changed files with 54 additions and 16 deletions
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5
include/cantera/zeroD/ReactorNet.h
View file

@ -35,6 +35,11 @@ public:
//! using the current mixture state as the initial condition.
void setInitialTime(double time);
//! Get the maximum time step.
double maxTimeStep() {
return m_maxstep;
}
//! Set the maximum time step.
void setMaxTimeStep(double maxstep);

1
interfaces/cython/cantera/_cantera.pxd
View file

@ -630,6 +630,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
void setTolerances(double, double)
double rtol()
double atol()
double maxTimeStep()
void setMaxTimeStep(double)
void setMaxErrTestFails(int)
void setMaxSteps(int)

39
interfaces/cython/cantera/reactor.pyx
View file

@ -761,11 +761,11 @@ cdef class MassFlowController(FlowDevice):
.. math:: \dot m = \max(\dot m_0*g(t), 0.),
where :math:`\dot m_0` is a constant value and :math:`g(t)` is a function of
where :math:`\dot m_0` is a constant value and :math:`g(t)` is a function of
time. Both :math:`\dot m_0` and :math:`g(t)` can be set individually by
the property `mass_flow_coeff` and the method `set_time_function`,
respectively. The method `set_mass_flow_rate` combines the former
into a single function. Note that if :math:`\dot m_0*g(t) < 0`, the mass flow
the property `mass_flow_coeff` and the method `set_time_function`,
respectively. The method `set_mass_flow_rate` combines the former
into a single function. Note that if :math:`\dot m_0*g(t) < 0`, the mass flow
rate will be set to zero, since reversal of the flow direction is not allowed.
Unlike a real mass flow controller, a MassFlowController object will
@ -805,7 +805,7 @@ cdef class MassFlowController(FlowDevice):
Set the mass flow rate [kg/s] through this controller to be either
a constant or an arbitrary function of time. See `Func1`.
Note that depending on the argument type, this method either changes
Note that depending on the argument type, this method either changes
the property `mass_flow_coeff` or calls the `set_time_function` method.
>>> mfc.set_mass_flow_rate(0.3)
@ -887,7 +887,7 @@ cdef class Valve(FlowDevice):
Renamed to `set_pressure_function`.
"""
warnings.warn("To be removed after Cantera 2.5. "
"Renamed to `set_pressure_function` instead", DeprecationWarning)
"Renamed to 'set_pressure_function' instead", DeprecationWarning)
self.set_pressure_function(k)
@ -909,8 +909,8 @@ cdef class Valve(FlowDevice):
`set_pressure_function`.
"""
warnings.warn("To be removed after Cantera 2.5. "
"Use property `valve_coeff` and/or function "
"`set_pressure_function` instead.", DeprecationWarning)
"Use property 'valve_coeff' and/or function "
"'set_pressure_function' instead.", DeprecationWarning)
if isinstance(k, _numbers.Real):
self.valve_coeff = k
@ -936,7 +936,7 @@ cdef class PressureController(FlowDevice):
.. math:: \dot m = \dot m_{\rm master} + K_v*f(P_1 - P_2)
where :math:`f` is the arbitrary function of a single argument.
where :math:`f` is the arbitrary function of a single argument.
"""
flowdevice_type = "PressureController"
@ -972,7 +972,7 @@ cdef class PressureController(FlowDevice):
Replaced by property `pressure_coeff`.
"""
warnings.warn("To be removed after Cantera 2.5. "
"Use property `pressure_coeff` instead", DeprecationWarning)
"Use property 'pressure_coeff' instead", DeprecationWarning)
(<CxxPressureController*>self.dev).setPressureCoeff(k)
def set_master(self, FlowDevice d):
@ -1052,11 +1052,30 @@ cdef class ReactorNet:
"""
self.net.setInitialTime(t)
property max_time_step:
"""
Get/set the maximum time step *t* [s] that the integrator is
allowed to use. The default value is set to zero, i.e. no time
step maximum is used.
"""
def __get__(self):
return self.net.maxTimeStep()
def __set__(self, double t):
self.net.setMaxTimeStep(t)
def set_max_time_step(self, double t):
"""
Set the maximum time step *t* [s] that the integrator is allowed
to use.
.. deprecated:: 2.5
To be deprecated with version 2.5, and removed thereafter.
Replaced by property `max_time_step`.
"""
warnings.warn("To be removed after Cantera 2.5. "
"Use property 'max_time_step' instead", DeprecationWarning)
self.net.setMaxTimeStep(t)
property max_err_test_fails:

25
interfaces/cython/cantera/test/test_reactor.py
View file

@ -149,7 +149,20 @@ class TestReactor(utilities.CanteraTest):
tEnd = 10.0
dt_max = 0.07
t = tStart
self.net.set_max_time_step(dt_max)
with warnings.catch_warnings(record=True) as w:
# cause all warnings to always be triggered.
warnings.simplefilter("always")
self.net.set_max_time_step(dt_max)
self.assertEqual(len(w), 1)
self.assertTrue(issubclass(w[-1].category, DeprecationWarning))
self.assertIn("To be removed after Cantera 2.5. ",
str(w[-1].message))
self.net.max_time_step = dt_max
self.assertEqual(self.net.max_time_step, dt_max)
self.net.set_initial_time(tStart)
self.assertNear(self.net.time, tStart)
@ -169,7 +182,7 @@ class TestReactor(utilities.CanteraTest):
max_steps = 10
max_step_size = 1e-07
self.net.set_initial_time(0)
self.net.set_max_time_step(max_step_size)
self.net.max_time_step = max_step_size
self.net.max_steps = max_steps
with self.assertRaisesRegex(
ct.CanteraError, 'mxstep steps taken before reaching tout'):
@ -461,7 +474,7 @@ class TestReactor(utilities.CanteraTest):
self.assertNear(mfc.mdot(1.2), 0.)
self.net.rtol = 1e-11
self.net.set_max_time_step(0.05)
self.net.max_time_step = 0.05
self.net.advance(2.5)
mb = self.r1.volume * self.r1.density
@ -900,7 +913,7 @@ class TestWellStirredReactorIgnition(utilities.CanteraTest):
def test_ignition3(self):
self.setup(900.0, 10*ct.one_atm, 1.0, 80.0)
self.net.set_max_time_step(0.5)
self.net.max_time_step = 0.5
t,T = self.integrate(100.0)
self.assertTrue(T[-1] < 910) # mixture did not ignite
@ -978,8 +991,8 @@ class TestConstPressureReactor(utilities.CanteraTest):
self.net1 = ct.ReactorNet([self.r1])
self.net2 = ct.ReactorNet([self.r2])
self.net1.set_max_time_step(0.05)
self.net2.set_max_time_step(0.05)
self.net1.max_time_step = 0.05
self.net2.max_time_step = 0.05
self.net2.max_err_test_fails = 10
def test_component_index(self):