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Rename Kinetics::addPhase to Kinetics::addThermo

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This commit is contained in:
Ingmar Schoegl 2023-03-05 08:57:57 -06:00
parent 4675ea029d
commit 0b0159a30d
8 changed files with 19 additions and 19 deletions
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6
include/cantera/kinetics/InterfaceKinetics.h
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@ -130,7 +130,7 @@ public:
//! @name Reaction Mechanism Construction
//! @{
//! Add a phase to the kinetics manager object.
//! Add a thermo phase to the kinetics manager object.
/*!
* This must be done before the function init() is called or
* before any reactions are input.
@ -142,9 +142,9 @@ public:
*
* @param thermo Reference to the ThermoPhase to be added.
*/
virtual void addPhase(shared_ptr<ThermoPhase> thermo);
virtual void addThermo(shared_ptr<ThermoPhase> thermo);
//! @see InterfaceKinetics::addPhase(shared_ptr<ThermoPhase>)
//! @see InterfaceKinetics::addThermo(shared_ptr<ThermoPhase>)
virtual void addPhase(ThermoPhase& thermo);
virtual void init();

8
include/cantera/kinetics/Kinetics.h
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@ -1104,12 +1104,12 @@ public:
* kinetics manager object as the value.
*
* @param thermo Reference to the ThermoPhase to be added.
* @since Changed in Cantera 3.0. Replaces version using reference.
* @since New in Cantera 3.0. Replaces addPhase.
*/
virtual void addPhase(shared_ptr<ThermoPhase> thermo);
virtual void addThermo(shared_ptr<ThermoPhase> thermo);
//! @see Kinetics::addPhase(shared_ptr<ThermoPhase>)
//! @deprecated To be removed after Cantera 3.0. Replaced by version using shared
//! @see Kinetics::addThermo(shared_ptr<ThermoPhase>)
//! @deprecated To be removed after Cantera 3.0. Replaced by addThermo
//! pointer.
virtual void addPhase(ThermoPhase& thermo);

2
interfaces/cython/cantera/kinetics.pxd
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@ -32,7 +32,7 @@ cdef extern from "cantera/kinetics/Kinetics.h" namespace "Cantera":
CxxThermoPhase& thermo(int)
void addPhase(shared_ptr[CxxThermoPhase]) except +translate_exception
void addThermo(shared_ptr[CxxThermoPhase]) except +translate_exception
void init() except +translate_exception
void skipUndeclaredThirdBodies(cbool)
void addReaction(shared_ptr[CxxReaction]) except +translate_exception

4
interfaces/cython/cantera/solutionbase.pyx
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@ -241,10 +241,10 @@ cdef class _SolutionBase:
if isinstance(self, Kinetics):
self.base.setKinetics(newKinetics(stringify(kinetics)))
self.kinetics = self.base.kinetics().get()
self.kinetics.addPhase(self.base.thermo())
self.kinetics.addThermo(self.base.thermo())
for phase in adjacent:
# adjacent bulk phases for a surface phase
self.kinetics.addPhase(phase.base.thermo())
self.kinetics.addThermo(phase.base.thermo())
self.kinetics.init()
self.kinetics.skipUndeclaredThirdBodies(True)
for reaction in reactions:

4
src/kinetics/InterfaceKinetics.cpp
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@ -487,9 +487,9 @@ void InterfaceKinetics::setIOFlag(int ioFlag)
}
}
void InterfaceKinetics::addPhase(shared_ptr<ThermoPhase> thermo)
void InterfaceKinetics::addThermo(shared_ptr<ThermoPhase> thermo)
{
Kinetics::addPhase(thermo);
Kinetics::addThermo(thermo);
m_phaseExists.push_back(true);
m_phaseIsStable.push_back(true);
}

4
src/kinetics/Kinetics.cpp
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@ -571,7 +571,7 @@ Eigen::SparseMatrix<double> Kinetics::netProductionRates_ddX()
return m_stoichMatrix * netRatesOfProgress_ddX();
}
void Kinetics::addPhase(shared_ptr<ThermoPhase> thermo)
void Kinetics::addThermo(shared_ptr<ThermoPhase> thermo)
{
// the phase with lowest dimensionality is assumed to be the
// phase/interface at which reactions take place
@ -593,7 +593,7 @@ void Kinetics::addPhase(shared_ptr<ThermoPhase> thermo)
void Kinetics::addPhase(ThermoPhase& thermo)
{
warn_deprecated("Kinetics::addPhase",
"To be removed after Cantera 3.0. Use version with shared pointer instead.");
"To be removed after Cantera 3.0. Replaced by addThermo.");
// the phase with lowest dimensionality is assumed to be the
// phase/interface at which reactions take place

2
src/kinetics/KineticsFactory.cpp
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@ -89,7 +89,7 @@ shared_ptr<Kinetics> newKinetics(const vector<shared_ptr<ThermoPhase>>& phases,
shared_ptr<Kinetics> kin(KineticsFactory::factory()->newKinetics(kinType));
for (auto& phase : phases) {
kin->addPhase(phase);
kin->addThermo(phase);
}
kin->init();
addReactions(*kin, phaseNode, rootNode);

8
test/kinetics/kineticsFromScratch.cpp
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@ -29,7 +29,7 @@ public:
th.push_back(pp_ref);
kin_ref = newKinetics(th, "../data/kineticsfromscratch.yaml", "ohmech");
kin.addPhase(pp);
kin.addThermo(pp);
kin.init();
}
@ -520,8 +520,8 @@ public:
, surf_ref(newThermo("sofc.yaml", "metal_surface"))
{
kin_ref = newKinetics({surf_ref, gas_ref}, "sofc.yaml", "metal_surface");
kin.addPhase(surf);
kin.addPhase(gas);
kin.addThermo(surf);
kin.addThermo(gas);
}
shared_ptr<ThermoPhase> gas;
@ -603,7 +603,7 @@ public:
vector<shared_ptr<ThermoPhase>> th;
th.push_back(pp_ref);
kin_ref = newKinetics(th, "../data/kineticsfromscratch.yaml", "ohmech");
kin.addPhase(p);
kin.addThermo(p);
std::vector<shared_ptr<Species>> S = getSpecies(
AnyMap::fromYamlFile("h2o2.yaml")["species"]);