GreenPolyProducts/cantera
5
0
Fork 0
mirror of https://github.com/Cantera/cantera.git synced 2025-02-25 18:55:29 -06:00
Code Issues Packages Projects Releases Wiki Activity

[Python] Derive Wall/FlowDevice from ConnectorNode

Browse Source
This commit is contained in:
Ingmar Schoegl 2024-08-22 16:01:19 -05:00
parent 7a6cc9a28f
commit b057dab41c
2 changed files with 122 additions and 127 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

123
interfaces/cython/cantera/reactor.pxd
View File

@ -32,12 +32,11 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
# factories
cdef shared_ptr[CxxReactorBase] newReactor(string) except +translate_exception
cdef shared_ptr[CxxReactorBase] newReactor(string, shared_ptr[CxxSolution], string) except +translate_exception
cdef shared_ptr[CxxFlowDevice] newFlowDevice(string, string) except +translate_exception
cdef shared_ptr[CxxWallBase] newWall(string, string) except +translate_exception
cdef shared_ptr[CxxConnectorNode] newConnectorNode(string, shared_ptr[CxxReactorBase], shared_ptr[CxxReactorBase], string) except +translate_exception
# reactors
cdef cppclass CxxReactorBase "Cantera::ReactorBase":
CxxReactorBase()
CxxReactorBase() except +translate_exception
string type()
void setSolution(shared_ptr[CxxSolution]) except +translate_exception
void restoreState() except +translate_exception
@ -48,7 +47,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
void setInitialVolume(double)
cdef cppclass CxxReactor "Cantera::Reactor" (CxxReactorBase):
CxxReactor()
CxxReactor() except +translate_exception
void setChemistry(cbool)
cbool chemistryEnabled()
void setEnergy(int)
@ -59,7 +58,7 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
void getState(double*) except +translate_exception
CxxSparseMatrix jacobian() except +translate_exception
CxxSparseMatrix finiteDifferenceJacobian() except +translate_exception
void addSurface(CxxReactorSurface*)
void addSurface(CxxReactorSurface*) except +translate_exception
void setAdvanceLimit(string&, double) except +translate_exception
void addSensitivityReaction(size_t) except +translate_exception
void addSensitivitySpeciesEnthalpy(size_t) except +translate_exception
@ -82,40 +81,6 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
int inletSurfaceMaxErrorFailures()
void setInletSurfaceMaxErrorFailures(int) except +translate_exception
# walls
cdef cppclass CxxWallBase "Cantera::WallBase":
CxxWallBase()
string type()
string name()
void setName(string) except +translate_exception
cbool install(CxxReactorBase&, CxxReactorBase&)
double area()
void setArea(double)
void setKinetics(CxxKinetics*, CxxKinetics*)
void setCoverages(int, double*)
void setCoverages(int, Composition&) except +translate_exception
void syncCoverages(int)
double expansionRate() except +translate_exception
double vdot(double) except +translate_exception
double heatRate() except +translate_exception
double Q(double) except +translate_exception
void addSensitivityReaction(int, size_t) except +translate_exception
size_t nSensParams(int)
cdef cppclass CxxWall "Cantera::Wall" (CxxWallBase):
CxxWall()
void setExpansionRateCoeff(double)
double getExpansionRateCoeff()
void setHeatTransferCoeff(double)
double getHeatTransferCoeff()
void setEmissivity(double) except +translate_exception
double getEmissivity()
double velocity()
void setVelocity(CxxFunc1*)
double heatFlux()
void setHeatFlux(CxxFunc1*)
# reactor surface
cdef cppclass CxxReactorSurface "Cantera::ReactorSurface":
@ -132,25 +97,59 @@ cdef extern from "cantera/zerodim.h" namespace "Cantera":
void addSensitivityReaction(size_t) except +translate_exception
size_t nSensParams()
# flow devices
# connectors
cdef cppclass CxxFlowDevice "Cantera::FlowDevice":
CxxFlowDevice()
cdef cppclass CxxConnectorNode "Cantera::ConnectorNode":
CxxConnectorNode() except +translate_exception
string type()
string name()
void setName(string) except +translate_exception
# walls
cdef cppclass CxxWallBase "Cantera::WallBase" (CxxConnectorNode ):
CxxWallBase() except +translate_exception
double area()
void setArea(double)
void setKinetics(CxxKinetics*, CxxKinetics*)
void setCoverages(int, double*)
void setCoverages(int, Composition&) except +translate_exception
void syncCoverages(int)
double expansionRate() except +translate_exception
double vdot(double) except +translate_exception
double heatRate() except +translate_exception
double Q(double) except +translate_exception
void addSensitivityReaction(int, size_t) except +translate_exception
size_t nSensParams(int)
cdef cppclass CxxWall "Cantera::Wall" (CxxWallBase):
CxxWall() except +translate_exception
void setExpansionRateCoeff(double)
double getExpansionRateCoeff()
void setHeatTransferCoeff(double)
double getHeatTransferCoeff()
void setEmissivity(double) except +translate_exception
double getEmissivity()
double velocity()
void setVelocity(CxxFunc1*)
double heatFlux()
void setHeatFlux(CxxFunc1*)
# flow devices
cdef cppclass CxxFlowDevice "Cantera::FlowDevice" (CxxConnectorNode):
CxxFlowDevice() except +translate_exception
double massFlowRate() except +translate_exception
double massFlowRate(double) except +translate_exception
cbool install(CxxReactorBase&, CxxReactorBase&) except +translate_exception
double evalPressureFunction() except +translate_exception
void setPressureFunction(CxxFunc1*) except +translate_exception
double evalTimeFunction() except +translate_exception
void setTimeFunction(CxxFunc1*) except +translate_exception
cdef cppclass CxxMassFlowController "Cantera::MassFlowController" (CxxFlowDevice):
CxxMassFlowController()
void setMassFlowRate(double)
void setMassFlowCoeff(double)
CxxMassFlowController() except +translate_exception
void setMassFlowRate(double) except +translate_exception
void setMassFlowCoeff(double) except +translate_exception
double getMassFlowCoeff()
cdef cppclass CxxValve "Cantera::Valve" (CxxFlowDevice):
@ -289,14 +288,9 @@ cdef class ReactorSurface:
.. versionadded:: 3.1
"""
cdef class WallBase:
cdef shared_ptr[CxxWallBase] _wall
cdef CxxWallBase* wall
cdef object _velocity_func
cdef object _heat_flux_func
cdef ReactorBase _left_reactor
cdef ReactorBase _right_reactor
cdef str name
cdef class ConnectorNode:
cdef shared_ptr[CxxConnectorNode] _node
cdef CxxConnectorNode* node
cdef public dict edge_attr
"""
A dictionary containing draw attributes for the representation of the `WallBase` as
@ -306,25 +300,24 @@ cdef class WallBase:
.. versionadded:: 3.1
"""
cdef class WallBase(ConnectorNode):
# cdef shared_ptr[CxxWallBase] _wall
cdef CxxWallBase* wall
cdef object _velocity_func
cdef object _heat_flux_func
cdef ReactorBase _left_reactor
cdef ReactorBase _right_reactor
cdef class Wall(WallBase):
pass
cdef class FlowDevice:
cdef shared_ptr[CxxFlowDevice] _dev
cdef class FlowDevice(ConnectorNode):
# cdef shared_ptr[CxxFlowDevice] _dev
cdef CxxFlowDevice* dev
cdef Func1 _rate_func
cdef Func1 _time_func
cdef str name
cdef ReactorBase _upstream
cdef ReactorBase _downstream
cdef public dict edge_attr
"""
A dictionary containing draw attributes for the representation of the `FlowDevice`
as a graphviz edge.See https://graphviz.org/docs/edges/ for a list of all usable
attributes.
.. versionadded:: 3.1
"""
cdef class MassFlowController(FlowDevice):
pass

126
interfaces/cython/cantera/reactor.pyx
View File

@ -28,7 +28,7 @@ cdef class ReactorBase:
self._walls = []
self._surfaces = []
if isinstance(contents, _SolutionBase):
self.insert(contents) # leave insert for the time being
self._thermo = contents
if volume is not None:
self.volume = volume
@ -39,9 +39,14 @@ cdef class ReactorBase:
"""
Set ``solution`` to be the object used to compute thermodynamic
properties and kinetic rates for this reactor.
.. deprecated:: 3.2
After Cantera 3.2, a change of reactor contents after instantiation
will be disabled.
"""
self._thermo = solution
self.rbase.setSolution(solution._base)
self.rbase.setSolution(solution._base) # raises warning in C++ core
property type:
"""The type of the reactor."""
@ -939,14 +944,52 @@ cdef class ReactorSurface:
self.surface.addSensitivityReaction(m)
cdef class WallBase:
cdef class ConnectorNode:
"""
Common base class for walls and flow devices.
"""
node_type = "none"
def __cinit__(self, ReactorBase left=None, ReactorBase right=None, *,
ReactorBase upstream=None, ReactorBase downstream=None,
name="(none)", **kwargs):
# ensure that both naming conventions (Wall and FlowDevice) are covered
cdef ReactorBase r0 = left or upstream
cdef ReactorBase r1 = right or downstream
if isinstance(r0, ReactorBase) and isinstance(r1, ReactorBase):
self._node = newConnectorNode(stringify(self.node_type),
r0._reactor, r1._reactor, stringify(name))
self.node = self._node.get()
return
raise TypeError(f"Invalid reactor types: {r0} and {r1}.")
@property
def type(self):
"""The type of the connector."""
return pystr(self.node.type())
@property
def name(self):
"""The name of the connector."""
return pystr(self.node.name())
@name.setter
def name(self, name):
self.node.setName(stringify(name))
def __reduce__(self):
raise NotImplementedError('Reactor object is not picklable')
def __copy__(self):
raise NotImplementedError('Reactor object is not copyable')
cdef class WallBase(ConnectorNode):
"""
Common base class for walls.
"""
wall_type = "none"
def __cinit__(self, *args, name="(none)", **kwargs):
self._wall = newWall(stringify(self.wall_type), stringify(name))
self.wall = self._wall.get()
def __cinit__(self, *args, **kwargs):
self.wall = <CxxWall*>(self.node)
def __init__(self, left, right, *, name="(none)", A=None, K=None, U=None,
Q=None, velocity=None, edge_attr=None):
@ -985,8 +1028,6 @@ cdef class WallBase:
self._velocity_func = None
self._heat_flux_func = None
self._install(left, right)
if A is not None:
self.area = A
if K is not None:
@ -999,30 +1040,12 @@ cdef class WallBase:
self.velocity = velocity
self.edge_attr = edge_attr or {}
def _install(self, ReactorBase left, ReactorBase right):
"""
Install this Wall between two `Reactor` objects or between a
`Reactor` and a `Reservoir`.
"""
left._add_wall(self)
right._add_wall(self)
self.wall.install(deref(left.rbase), deref(right.rbase))
# Keep references to prevent premature garbage collection
self._left_reactor = left
self._right_reactor = right
property type:
"""The type of the wall."""
def __get__(self):
return pystr(self.wall.type())
property name:
"""The name of the wall."""
def __get__(self):
return pystr(self.wall.name())
def __set__(self, name):
self.wall.setName(stringify(name))
property area:
""" The wall area [m^2]. """
def __get__(self):
@ -1138,7 +1161,7 @@ cdef class Wall(WallBase):
:math:`q_0(t)` is a specified function of time. The heat flux is positive
when heat flows from the reactor on the left to the reactor on the right.
"""
wall_type = "Wall"
node_type = "Wall"
property expansion_rate_coeff:
"""
@ -1207,7 +1230,7 @@ cdef class Wall(WallBase):
(<CxxWall*>self.wall).setHeatFlux(f.func)
cdef class FlowDevice:
cdef class FlowDevice(ConnectorNode):
"""
Base class for devices that allow flow between reactors.
@ -1218,37 +1241,15 @@ cdef class FlowDevice:
across a FlowDevice, and the pressure difference equals the difference in
pressure between the upstream and downstream reactors.
"""
flowdevice_type = "none"
def __cinit__(self, *args, name="(none)", **kwargs):
self._dev = newFlowDevice(stringify(self.flowdevice_type), stringify(name))
self.dev = self._dev.get()
def __cinit__(self, *args, **kwargs):
self.dev = <CxxFlowDevice*>(self.node)
def __init__(self, upstream, downstream, *, name="(none)", edge_attr=None):
assert self.dev != NULL
self._rate_func = None
self.edge_attr = edge_attr or {}
self._install(upstream, downstream)
property type:
"""The type of the flow device."""
def __get__(self):
return pystr(self.dev.type())
property name:
"""The name of the flow device."""
def __get__(self):
return pystr(self.dev.name())
def __set__(self, name):
self.dev.setName(stringify(name))
def _install(self, ReactorBase upstream, ReactorBase downstream):
"""
Install the device between the ``upstream`` (source) and ``downstream``
(destination) reactors or reservoirs.
"""
upstream._add_outlet(self)
downstream._add_inlet(self)
self.dev.install(deref(upstream.rbase), deref(downstream.rbase))
# Keep references to prevent premature garbage collection
self._upstream = upstream
self._downstream = downstream
@ -1387,10 +1388,10 @@ cdef class MassFlowController(FlowDevice):
that this capability should be used with caution, since no account is
taken of the work required to do this.
"""
flowdevice_type = "MassFlowController"
node_type = "MassFlowController"
def __init__(self, upstream, downstream, *, name="(none)", mdot=1., **kwargs):
super().__init__(upstream, downstream, name=name, **kwargs)
def __init__(self, upstream, downstream, *, name="(none)", mdot=1., edge_attr=None):
super().__init__(upstream, downstream, name=name, edge_attr=edge_attr)
self.mass_flow_rate = mdot
property mass_flow_coeff:
@ -1461,10 +1462,10 @@ cdef class Valve(FlowDevice):
value, very small pressure differences will result in flow between the
reactors that counteracts the pressure difference.
"""
flowdevice_type = "Valve"
node_type = "Valve"
def __init__(self, upstream, downstream, *, name="(none)", K=1., **kwargs):
super().__init__(upstream, downstream, name=name, **kwargs)
def __init__(self, upstream, downstream, *, name="(none)", K=1., edge_attr=None):
super().__init__(upstream, downstream, name=name, edge_attr=edge_attr)
if isinstance(K, _numbers.Real):
self.valve_coeff = K
else:
@ -1504,10 +1505,11 @@ cdef class PressureController(FlowDevice):
where :math:`f` is the arbitrary function of a single argument.
"""
flowdevice_type = "PressureController"
node_type = "PressureController"
def __init__(self, upstream, downstream, *, name="(none)", primary=None, K=1.):
super().__init__(upstream, downstream, name=name)
def __init__(self, upstream, downstream, *,
name="(none)", primary=None, K=1., edge_attr=None):
super().__init__(upstream, downstream, name=name, edge_attr=edge_attr)
if primary is not None:
self.primary = primary
if isinstance(K, _numbers.Real):