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Make use of make_unique

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Also use make_shared more consistently
This commit is contained in:
Ray Speth
2023-03-07 18:24:36 -05:00
committed by Ingmar Schoegl
parent da264799cb
commit 7a69a67f2c
37 changed files with 111 additions and 115 deletions
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1
include/cantera/base/ct_defs.h
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@@ -37,6 +37,7 @@ namespace Cantera
using std::shared_ptr;
using std::make_shared;
using std::unique_ptr;
using std::make_unique;
using std::isnan; // workaround for bug in libstdc++ 4.8
using std::string;
using std::vector;

2
include/cantera/kinetics/Arrhenius.h
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@@ -183,7 +183,7 @@ public:
using ArrheniusBase::ArrheniusBase; // inherit constructors
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(new MultiRate<ArrheniusRate, ArrheniusData>);
return make_unique<MultiRate<ArrheniusRate, ArrheniusData>>();
}
virtual const std::string type() const override {

2
include/cantera/kinetics/BlowersMaselRate.h
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@@ -88,7 +88,7 @@ public:
const UnitStack& rate_units={});
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(new MultiRate<BlowersMaselRate, BlowersMaselData>);
return make_unique<MultiRate<BlowersMaselRate, BlowersMaselData>>();
}
virtual const std::string type() const override {

3
include/cantera/kinetics/ChebyshevRate.h
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@@ -108,8 +108,7 @@ public:
ChebyshevRate(const AnyMap& node, const UnitStack& rate_units={});
unique_ptr<MultiRateBase> newMultiRate() const {
return unique_ptr<MultiRateBase>(
new MultiRate<ChebyshevRate, ChebyshevData>);
return make_unique<MultiRate<ChebyshevRate, ChebyshevData>>();
}
const std::string type() const { return "Chebyshev"; }

2
include/cantera/kinetics/Custom.h
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@@ -40,7 +40,7 @@ public:
CustomFunc1Rate(const AnyMap& node, const UnitStack& rate_units);
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(new MultiRate<CustomFunc1Rate, ArrheniusData>);
return make_unique<MultiRate<CustomFunc1Rate, ArrheniusData>>();
}
const std::string type() const override { return "custom-rate-function"; }

9
include/cantera/kinetics/Falloff.h
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@@ -286,8 +286,7 @@ public:
const vector_fp& c);
unique_ptr<MultiRateBase> newMultiRate() const override{
return unique_ptr<MultiRateBase>(
new MultiRate<LindemannRate, FalloffData>);
return make_unique<MultiRate<LindemannRate, FalloffData>>();
}
virtual const std::string subType() const override {
@@ -337,7 +336,7 @@ public:
const vector_fp& c);
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(new MultiRate<TroeRate, FalloffData>);
return make_unique<MultiRate<TroeRate, FalloffData>>();
}
//! Set coefficients used by parameterization
@@ -436,7 +435,7 @@ public:
}
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(new MultiRate<SriRate, FalloffData>);
return make_unique<MultiRate<SriRate, FalloffData>>();
}
//! Set coefficients used by parameterization
@@ -543,7 +542,7 @@ public:
}
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(new MultiRate<TsangRate, FalloffData>);
return make_unique<MultiRate<TsangRate, FalloffData>>();
}
//! Set coefficients used by parameterization

6
include/cantera/kinetics/InterfaceRate.h
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@@ -372,8 +372,7 @@ public:
}
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(
new MultiRate<InterfaceRate<RateType, DataType>, DataType>);
return make_unique<MultiRate<InterfaceRate<RateType, DataType>, DataType>>();
}
//! Identifier of reaction rate type
@@ -461,8 +460,7 @@ public:
}
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(
new MultiRate<StickingRate<RateType, DataType>, DataType>);
return make_unique<MultiRate<StickingRate<RateType, DataType>, DataType>>();
}
//! Identifier of reaction rate type

2
include/cantera/kinetics/PlogRate.h
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@@ -84,7 +84,7 @@ public:
PlogRate(const AnyMap& node, const UnitStack& rate_units={});
unique_ptr<MultiRateBase> newMultiRate() const {
return unique_ptr<MultiRateBase>(new MultiRate<PlogRate, PlogData>);
return make_unique<MultiRate<PlogRate, PlogData>>();
}
//! Identifier of reaction rate type

2
include/cantera/kinetics/ReactionRate.h
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@@ -72,7 +72,7 @@ public:
//!
//! ```.cpp
//! unique_ptr<MultiRateBase> newMultiRate() const override {
//! return unique_ptr<MultiRateBase>(new MultiRate<RateType, DataType>);
//! return make_unique<MultiRate<RateType, DataType>>();
//! ```
//!
//! where `RateType` is the derived class name and `DataType` is the corresponding

3
include/cantera/kinetics/TwoTempPlasmaRate.h
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@@ -78,8 +78,7 @@ public:
TwoTempPlasmaRate(const AnyMap& node, const UnitStack& rate_units={});
unique_ptr<MultiRateBase> newMultiRate() const override {
return unique_ptr<MultiRateBase>(
new MultiRate<TwoTempPlasmaRate, TwoTempPlasmaData>);
return make_unique<MultiRate<TwoTempPlasmaRate, TwoTempPlasmaData>>();
}
virtual const std::string type() const override {

9
src/base/AnyMap.cpp
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@@ -607,7 +607,7 @@ AnyValue& AnyValue::operator=(AnyValue const& other) {
}
AnyBase::operator=(other);
m_key = other.m_key;
m_value.reset(new boost::any{*other.m_value});
m_value = make_unique<boost::any>(*other.m_value);
m_equals = other.m_equals;
return *this;
}
@@ -1560,7 +1560,8 @@ AnyMap::OrderedProxy::OrderedProxy(const AnyMap& data)
{
// Units always come first
if (m_data->hasKey("__units__") && m_data->at("__units__").as<AnyMap>().size()) {
m_units.reset(new std::pair<const string, AnyValue>{"units", m_data->at("__units__")});
m_units = make_unique<pair<const string, AnyValue>>(
"units", m_data->at("__units__"));
m_units->second.setFlowStyle();
m_ordered.emplace_back(std::pair<int, int>{-2, 0}, m_units.get());
}
@@ -1672,7 +1673,7 @@ void AnyMap::applyUnits(shared_ptr<UnitSystem>& units) {
m_data.erase("units");
}
if (hasKey("__units__")) {
m_units.reset(new UnitSystem(*units));
m_units = make_shared<UnitSystem>(*units);
m_units->setDefaults(m_data["__units__"].asMap<std::string>());
} else {
m_units = units;
@@ -1691,7 +1692,7 @@ void AnyMap::setUnits(const UnitSystem& units)
} else {
m_data["__units__"] = units.getDelta(*m_units);
}
m_units.reset(new UnitSystem(units));
m_units = make_shared<UnitSystem>(units);
}
void AnyMap::setFlowStyle(bool flow) {

4
src/base/Storage.cpp
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@@ -51,9 +51,9 @@ namespace Cantera
Storage::Storage(std::string fname, bool write) : m_write(write)
{
if (m_write) {
m_file.reset(new h5::File(fname, h5::File::OpenOrCreate));
m_file = make_unique<h5::File>(fname, h5::File::OpenOrCreate);
} else {
m_file.reset(new h5::File(fname, h5::File::ReadOnly));
m_file = make_unique<h5::File>(fname, h5::File::ReadOnly);
}
}

2
src/base/application.cpp
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@@ -39,7 +39,7 @@ Application::Messages::Messages()
{
// install a default logwriter that writes to standard
// output / standard error
logwriter.reset(new Logger());
logwriter = make_unique<Logger>();
}
void Application::Messages::addError(const std::string& r, const std::string& msg)

2
src/clib/ct.cpp
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@@ -1657,7 +1657,7 @@ extern "C" {
{
static unique_ptr<Logger> logwriter;
try {
logwriter.reset(new ExternalLogger(writer));
logwriter = make_unique<ExternalLogger>(writer);
setLogger(logwriter.get());
return 0;
} catch (...) {

4
src/equil/vcs_solve.cpp
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@@ -53,7 +53,7 @@ VCS_SOLVE::VCS_SOLVE(MultiPhase* mphase, int printLvl) :
{
m_speciesThermoList.resize(m_nsp);
for (size_t kspec = 0; kspec < m_nsp; kspec++) {
m_speciesThermoList[kspec].reset(new VCS_SPECIES_THERMO());
m_speciesThermoList[kspec] = make_unique<VCS_SPECIES_THERMO>();
}
string ser = "VCS_SOLVE: ERROR:\n\t";
@@ -123,7 +123,7 @@ VCS_SOLVE::VCS_SOLVE(MultiPhase* mphase, int printLvl) :
// Phase Info
m_VolPhaseList.resize(m_numPhases);
for (size_t iph = 0; iph < m_numPhases; iph++) {
m_VolPhaseList[iph].reset(new vcs_VolPhase(this));
m_VolPhaseList[iph] = make_unique<vcs_VolPhase>(this);
}
// For Future expansion

2
src/kinetics/ImplicitSurfChem.cpp
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@@ -189,7 +189,7 @@ void ImplicitSurfChem::solvePseudoSteadyStateProblem(int ifuncOverride,
// time scale - time over which to integrate equations
doublereal time_scale = timeScaleOverride;
if (!m_surfSolver) {
m_surfSolver.reset(new solveSP(this, bulkFunc));
m_surfSolver = make_unique<solveSP>(this, bulkFunc);
// set ifunc, which sets the algorithm.
ifunc = SFLUX_INITIALIZE;
} else {

18
src/kinetics/Reaction.cpp
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@@ -282,7 +282,7 @@ void Reaction::setRate(shared_ptr<ReactionRate> rate)
"Reaction equation for falloff reaction '{}'\n does not "
"contain valid pressure-dependent third body", equation());
}
m_third_body.reset(new ThirdBody("(+M)"));
m_third_body = make_shared<ThirdBody>("(+M)");
}
}
}
@@ -404,7 +404,7 @@ void Reaction::setEquation(const std::string& equation, const Kinetics* kin)
"Collision efficiencies need to specify single species", equation);
}
third_body = effs.begin()->first;
m_third_body.reset(new ThirdBody(third_body));
m_third_body = make_shared<ThirdBody>(third_body);
m_third_body->explicit_3rd = true;
} else if (input.hasKey("default-efficiency")) {
// insufficient disambiguation of third bodies
@@ -462,7 +462,7 @@ void Reaction::setEquation(const std::string& equation, const Kinetics* kin)
}
m_third_body->setName(third_body);
} else {
m_third_body.reset(new ThirdBody(third_body));
m_third_body = make_shared<ThirdBody>(third_body);
}
// adjust reactant coefficients
@@ -825,7 +825,7 @@ ThreeBodyReaction::ThreeBodyReaction()
{
warn_deprecated("ThreeBodyReaction",
"To be removed after Cantera 3.0. Replaceable with Reaction.");
m_third_body.reset(new ThirdBody);
m_third_body = make_shared<ThirdBody>();
setRate(newReactionRate(type()));
}
@@ -853,7 +853,7 @@ FalloffReaction::FalloffReaction()
{
warn_deprecated("FalloffReaction",
"To be removed after Cantera 3.0. Replaceable with Reaction.");
m_third_body.reset(new ThirdBody);
m_third_body = make_shared<ThirdBody>();
setRate(newReactionRate(type()));
}
@@ -880,19 +880,19 @@ FalloffReaction::FalloffReaction(const AnyMap& node, const Kinetics& kin)
warn_deprecated("FalloffReaction",
"To be removed after Cantera 3.0. Replaceable with Reaction.");
if (node.empty()) {
m_third_body.reset(new ThirdBody);
m_third_body = make_shared<ThirdBody>();
setRate(newReactionRate(type()));
}
}
unique_ptr<Reaction> newReaction(const std::string& type)
{
return unique_ptr<Reaction>(new Reaction());
return make_unique<Reaction>();
}
unique_ptr<Reaction> newReaction(const AnyMap& rxn_node, const Kinetics& kin)
{
return unique_ptr<Reaction>(new Reaction(rxn_node, kin));
return make_unique<Reaction>(rxn_node, kin);
}
void parseReactionEquation(Reaction& R, const std::string& equation,
@@ -970,7 +970,7 @@ std::vector<shared_ptr<Reaction>> getReactions(const AnyValue& items,
{
std::vector<shared_ptr<Reaction>> all_reactions;
for (const auto& node : items.asVector<AnyMap>()) {
shared_ptr<Reaction> R(new Reaction(node, kinetics));
auto R = make_shared<Reaction>(node, kinetics);
R->check();
R->validate(kinetics);
if (R->valid() && R->checkSpecies(kinetics)) {

4
src/kinetics/ReactionRateDelegator.cpp
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@@ -55,8 +55,8 @@ ReactionRateDelegator::ReactionRateDelegator()
unique_ptr<MultiRateBase> ReactionRateDelegator::newMultiRate() const
{
auto multirate = std::make_unique<MultiRate<ReactionRateDelegator,
ReactionDataDelegator>>();
auto multirate = make_unique<MultiRate<ReactionRateDelegator,
ReactionDataDelegator>>();
multirate->sharedData().setType(m_rateType);
ExtensionManager::wrapReactionData(m_rateType, multirate->sharedData());
return multirate;

2
src/numerics/IDA_Solver.cpp
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@@ -466,7 +466,7 @@ void IDA_Solver::init(doublereal t0)
}
// pass a pointer to func in m_data
m_fdata.reset(new ResidData(&m_resid, this, m_resid.nparams()));
m_fdata = make_unique<ResidData>(&m_resid, this, m_resid.nparams());
flag = IDASetUserData(m_ida_mem, m_fdata.get());
if (flag != IDA_SUCCESS) {
throw CanteraError("IDA_Solver::init", "IDASetUserData failed.");

2
src/oneD/Domain1D.cpp
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@@ -29,7 +29,7 @@ void Domain1D::resize(size_t nv, size_t np)
// new grid refiner is required.
if (nv != m_nv || !m_refiner) {
m_nv = nv;
m_refiner.reset(new Refiner(*this));
m_refiner = make_unique<Refiner>(*this);
}
m_nv = nv;
m_name.resize(m_nv,"");

6
src/oneD/OneDim.cpp
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@@ -18,13 +18,13 @@ namespace Cantera
OneDim::OneDim()
{
m_newt.reset(new MultiNewton(1));
m_newt = make_unique<MultiNewton>(1);
}
OneDim::OneDim(vector<Domain1D*> domains)
{
// create a Newton iterator, and add each domain.
m_newt.reset(new MultiNewton(1));
m_newt = make_unique<MultiNewton>(1);
for (size_t i = 0; i < domains.size(); i++) {
addDomain(domains[i]);
}
@@ -197,7 +197,7 @@ void OneDim::resize()
m_mask.resize(size());
// delete the current Jacobian evaluator and create a new one
m_jac.reset(new MultiJac(*this));
m_jac = make_unique<MultiJac>(*this);
m_jac_ok = false;
for (size_t i = 0; i < nDomains(); i++) {

2
src/thermo/DebyeHuckel.cpp
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@@ -396,7 +396,7 @@ void DebyeHuckel::initThermo()
// Initialize the water property calculator. It will share the internal
// eos water calculator.
if (m_form_A_Debye == A_DEBYE_WATER) {
m_waterProps.reset(new WaterProps(m_waterSS));
m_waterProps = make_unique<WaterProps>(m_waterSS);
}
} else if (dynamic_cast<PDSS_ConstVol*>(providePDSS(0)) == 0) {
throw CanteraError("DebyeHuckel::initThermo", "Solvent standard state"

2
src/thermo/HMWSoln.cpp
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@@ -668,7 +668,7 @@ void HMWSoln::initThermo()
// Initialize the water property calculator. It will share the internal eos
// water calculator.
m_waterProps.reset(new WaterProps(dynamic_cast<PDSS_Water*>(m_waterSS)));
m_waterProps = make_unique<WaterProps>(dynamic_cast<PDSS_Water*>(m_waterSS));
// Lastly calculate the charge balance and then add stuff until the charges
// compensate

2
src/thermo/PDSS_HKFT.cpp
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@@ -271,7 +271,7 @@ void PDSS_HKFT::initThermo()
m_Z_pr_tr = -1.0 / relepsilon;
doublereal drelepsilondT = m_waterProps->relEpsilon(m_temp, m_pres, 1);
m_Y_pr_tr = drelepsilondT / (relepsilon * relepsilon);
m_waterProps.reset(new WaterProps(m_waterSS));
m_waterProps = make_unique<WaterProps>(m_waterSS);
m_presR_bar = OneAtm / 1.0E5;
m_presR_bar = 1.0;
convertDGFormation();

6
src/thermo/Species.cpp
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@@ -104,13 +104,13 @@ AnyMap Species::parameters(const ThermoPhase* phase, bool withInput) const
unique_ptr<Species> newSpecies(const AnyMap& node)
{
unique_ptr<Species> s(new Species(node["name"].asString(),
node["composition"].asMap<double>()));
auto s = make_unique<Species>(node["name"].asString(),
node["composition"].asMap<double>());
if (node.hasKey("thermo")) {
s->thermo = newSpeciesThermo(node["thermo"].as<AnyMap>());
} else {
s->thermo.reset(new SpeciesThermoInterpType());
s->thermo = make_shared<SpeciesThermoInterpType>();
}
s->size = node.getDouble("sites", 1.0);

20
src/thermo/SpeciesThermoFactory.cpp
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@@ -187,25 +187,25 @@ unique_ptr<SpeciesThermoInterpType> newSpeciesThermo(const AnyMap& node)
{
std::string model = node["model"].asString();
if (model == "NASA7") {
unique_ptr<NasaPoly2> thermo(new NasaPoly2());
auto thermo = make_unique<NasaPoly2>();
setupNasaPoly(*thermo, node);
return unique_ptr<SpeciesThermoInterpType>(move(thermo));
return thermo;
} else if (model == "Shomate") {
unique_ptr<ShomatePoly2> thermo(new ShomatePoly2());
auto thermo = make_unique<ShomatePoly2>();
setupShomatePoly(*thermo, node);
return unique_ptr<SpeciesThermoInterpType>(move(thermo));
return thermo;
} else if (model == "NASA9") {
unique_ptr<Nasa9PolyMultiTempRegion> thermo(new Nasa9PolyMultiTempRegion());
auto thermo = make_unique<Nasa9PolyMultiTempRegion>();
setupNasa9Poly(*thermo, node);
return unique_ptr<SpeciesThermoInterpType>(move(thermo));
return thermo;
} else if (model == "constant-cp") {
unique_ptr<ConstCpPoly> thermo(new ConstCpPoly());
auto thermo = make_unique<ConstCpPoly>();
setupConstCp(*thermo, node);
return unique_ptr<SpeciesThermoInterpType>(move(thermo));
return thermo;
} else if (model == "piecewise-Gibbs") {
unique_ptr<Mu0Poly> thermo(new Mu0Poly());
auto thermo = make_unique<Mu0Poly>();
setupMu0(*thermo, node);
return unique_ptr<SpeciesThermoInterpType>(move(thermo));
return thermo;
} else {
throw CanteraError("newSpeciesThermo",
"Unknown thermo model '{}'", model);

2
src/thermo/WaterSSTP.cpp
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@@ -79,7 +79,7 @@ void WaterSSTP::initThermo()
double rho0 = m_sub.density(298.15, OneAtm, WATER_LIQUID);
setDensity(rho0);
m_waterProps.reset(new WaterProps(&m_sub));
m_waterProps = make_unique<WaterProps>(&m_sub);
// Set the flag to say we are ready to calculate stuff
m_ready = true;

6
src/transport/TransportData.cpp
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@@ -179,12 +179,12 @@ void setupGasTransportData(GasTransportData& tr, const AnyMap& node)
unique_ptr<TransportData> newTransportData(const AnyMap& node)
{
if (node.getString("model", "") == "gas") {
unique_ptr<GasTransportData> tr(new GasTransportData());
auto tr = make_unique<GasTransportData>();
setupGasTransportData(*tr, node);
return unique_ptr<TransportData>(move(tr));
return tr;
} else {
// Transport model not handled here
unique_ptr<TransportData> tr(new TransportData());
auto tr = make_unique<TransportData>();
tr->input = node;
return tr;
}

2
test/kinetics/kineticsFromScratch.cpp
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@@ -599,7 +599,7 @@ public:
KineticsAddSpecies()
: pp_ref(newThermo("../data/kineticsfromscratch.yaml"))
{
p.reset(new IdealGasPhase());
p = make_shared<IdealGasPhase>();
vector<shared_ptr<ThermoPhase>> th;
th.push_back(pp_ref);
kin_ref = newKinetics(th, "../data/kineticsfromscratch.yaml", "ohmech");

4
test/kinetics/kineticsFromYaml.cpp
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@@ -904,9 +904,9 @@ TEST_F(ReactionToYaml, unconvertible3)
{
Reaction R(
{{"H2", 1}, {"OH", 1}}, {{"H2O", 1}, {"H", 1}},
shared_ptr<ReactionRate>(new TroeRate(
make_shared<TroeRate>(
ArrheniusRate(1e5, -1.0, 12.5), ArrheniusRate(1e5, -1.0, 12.5),
{0.562, 91.0, 5836.0, 8552.0})));
vector_fp{0.562, 91.0, 5836.0, 8552.0}));
AnyMap params = R.parameters();
UnitSystem U{"g", "cm", "mol"};
params.setUnits(U);

8
test/thermo/MaskellSolidSolnPhase_Test.cpp
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@@ -91,11 +91,11 @@ TEST_F(MaskellSolidSolnPhase_Test, standardConcentrations)
TEST_F(MaskellSolidSolnPhase_Test, fromScratch) {
auto sH = make_shared<Species>("H(s)", parseCompString("H:1 He:2"));
double coeffs1[] = {1.0, 0.0, 0.0, 0.0};
sH->thermo.reset(new ConstCpPoly(250, 800, 1e5, coeffs1));
sH->thermo = make_shared<ConstCpPoly>(250, 800, 1e5, coeffs1);
auto sHe = make_shared<Species>("He(s)", parseCompString("He:1"));
double coeffs2[] = {1.0, 1000.0, 0.0, 0.0};
sHe->thermo.reset(new ConstCpPoly(250, 800, 1e5, coeffs2));
sHe->thermo = make_shared<ConstCpPoly>(250, 800, 1e5, coeffs2);
MaskellSolidSolnPhase* p = new MaskellSolidSolnPhase();
test_phase.reset(p);
@@ -103,11 +103,11 @@ TEST_F(MaskellSolidSolnPhase_Test, fromScratch) {
p->addSpecies(sH);
p->addSpecies(sHe);
std::unique_ptr<PDSS_ConstVol> ssH(new PDSS_ConstVol());
auto ssH = make_unique<PDSS_ConstVol>();
ssH->setMolarVolume(0.005);
p->installPDSS(0, std::move(ssH));
std::unique_ptr<PDSS_ConstVol> ssHe(new PDSS_ConstVol());
auto ssHe = make_unique<PDSS_ConstVol>();
ssHe->setMolarVolume(0.01);
p->installPDSS(1, std::move(ssHe));

10
test/thermo/RedlichKisterTest.cpp
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@@ -98,24 +98,24 @@ TEST_F(RedlichKister_Test, standardConcentrations)
TEST_F(RedlichKister_Test, fromScratch)
{
test_phase.reset(new RedlichKisterVPSSTP());
test_phase = make_shared<RedlichKisterVPSSTP>();
RedlichKisterVPSSTP& rk = dynamic_cast<RedlichKisterVPSSTP&>(*test_phase);
auto sLiC6 = make_shared<Species>("Li(C6)", parseCompString("C:6 Li:1"));
double coeffs1[] = {298.15, -11.65e6, 0.0, 0.0};
sLiC6->thermo.reset(new ConstCpPoly(100, 5000, 101325, coeffs1));
sLiC6->thermo = make_shared<ConstCpPoly>(100, 5000, 101325, coeffs1);
auto sVC6 = make_shared<Species>("V(C6)", parseCompString("C:6"));
double coeffs2[] = {298.15, 0.0, 0.0, 0.0};
sVC6->thermo.reset(new ConstCpPoly(250, 800, 101325, coeffs2));
sVC6->thermo = make_shared<ConstCpPoly>(250, 800, 101325, coeffs2);
rk.addSpecies(sLiC6);
rk.addSpecies(sVC6);
std::unique_ptr<PDSS> ssLiC6(new PDSS_IdealGas());
auto ssLiC6 = make_unique<PDSS_IdealGas>();
rk.installPDSS(0, std::move(ssLiC6));
std::unique_ptr<PDSS> ssVC6(new PDSS_IdealGas());
auto ssVC6 = make_unique<PDSS_IdealGas>();
rk.installPDSS(1, std::move(ssVC6));
double hcoeffs[] = {-3.268E6, 3.955E6, -4.573E6, 6.147E6, -3.339E6, 1.117E7,

38
test/thermo/phaseConstructors.cpp
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@@ -37,7 +37,7 @@ shared_ptr<Species> make_species(const std::string& name,
const std::string& composition, const double* nasa_coeffs)
{
auto species = make_shared<Species>(name, parseCompString(composition));
species->thermo.reset(new NasaPoly2(200, 3500, 101325, nasa_coeffs));
species->thermo = make_shared<NasaPoly2>(200, 3500, 101325, nasa_coeffs);
return species;
}
@@ -45,7 +45,7 @@ shared_ptr<Species> make_shomate_species(const std::string& name,
const std::string& composition, const double* shomate_coeffs)
{
auto species = make_shared<Species>(name, parseCompString(composition));
species->thermo.reset(new ShomatePoly(200, 3500, 101325, shomate_coeffs));
species->thermo = make_shared<ShomatePoly>(200, 3500, 101325, shomate_coeffs);
return species;
}
@@ -53,7 +53,7 @@ shared_ptr<Species> make_shomate2_species(const std::string& name,
const std::string& composition, const double* shomate_coeffs)
{
auto species = make_shared<Species>(name, parseCompString(composition));
species->thermo.reset(new ShomatePoly2(200, 3500, 101325, shomate_coeffs));
species->thermo = make_shared<ShomatePoly2>(200, 3500, 101325, shomate_coeffs);
return species;
}
@@ -63,7 +63,7 @@ shared_ptr<Species> make_species(const std::string& name,
{
auto species = make_shared<Species>(name, parseCompString(composition));
double coeffs[] = {2, h298, T1, mu1*GasConstant*T1, T2, mu2*GasConstant*T2};
species->thermo.reset(new Mu0Poly(200, 3500, pref, coeffs));
species->thermo = make_shared<Mu0Poly>(200, 3500, pref, coeffs);
return species;
}
@@ -72,7 +72,7 @@ shared_ptr<Species> make_const_cp_species(const std::string& name,
{
auto species = make_shared<Species>(name, parseCompString(composition));
double coeffs[] = {T0, h0, s0, cp};
species->thermo.reset(new ConstCpPoly(200, 3500, 101325, coeffs));
species->thermo = make_shared<ConstCpPoly>(200, 3500, 101325, coeffs);
return species;
}
@@ -82,7 +82,7 @@ TEST(IonsFromNeutralConstructor, fromScratch)
auto neutral = make_shared<MargulesVPSSTP>();
auto sKCl = make_shomate_species("KCl(L)", "K:1 Cl:1", kcl_shomate_coeffs);
neutral->addSpecies(sKCl);
std::unique_ptr<PDSS_ConstVol> ssKCl(new PDSS_ConstVol());
auto ssKCl = make_unique<PDSS_ConstVol>();
ssKCl->setMolarVolume(0.03757);
neutral->installPDSS(0, std::move(ssKCl));
neutral->initThermo();
@@ -96,8 +96,8 @@ TEST(IonsFromNeutralConstructor, fromScratch)
sClm->input["equation-of-state"]["model"] = "ions-from-neutral-molecule";
p.addSpecies(sKp);
p.addSpecies(sClm);
std::unique_ptr<PDSS_IonsFromNeutral> ssKp(new PDSS_IonsFromNeutral());
std::unique_ptr<PDSS_IonsFromNeutral> ssClm(new PDSS_IonsFromNeutral());
auto ssKp = make_unique<PDSS_IonsFromNeutral>();
auto ssClm = make_unique<PDSS_IonsFromNeutral>();
ssKp->setNeutralSpeciesMultiplier("KCl(L)", 1.2);
ssClm->setNeutralSpeciesMultiplier("KCl(L)", 1.5);
ssClm->setSpecialSpecies();
@@ -128,7 +128,7 @@ public:
, sCO(make_species("CO", "C:1 O:1", o2_nasa_coeffs))
, sCO2(new Species("CO2", parseCompString("C:1 O:2")))
{
sCO2->thermo.reset(new ShomatePoly2(200, 3500, 101325, co2_shomate_coeffs));
sCO2->thermo = make_shared<ShomatePoly2>(200, 3500, 101325, co2_shomate_coeffs);
}
shared_ptr<Species> sH2O, sH2, sO2, sOH, sCO, sCO2;
@@ -251,7 +251,7 @@ TEST(PureFluidFromScratch, CarbonDioxide)
{
PureFluidPhase p;
auto sCO2 = make_shared<Species>("CO2", parseCompString("C:1 O:2"));
sCO2->thermo.reset(new ShomatePoly2(200, 6000, 101325, co2_shomate_coeffs));
sCO2->thermo = make_shared<ShomatePoly2>(200, 6000, 101325, co2_shomate_coeffs);
p.addSpecies(sCO2);
p.setSubstance("carbon-dioxide");
p.initThermo();
@@ -277,7 +277,7 @@ TEST(IdealMolalSoln, fromScratch)
p.addSpecies(make_species("CH4(aq)", "C:1, H:4", h2_nasa_coeffs));
size_t k = 0;
for (double v : {1.5, 1.3, 0.1, 0.1}) {
std::unique_ptr<PDSS_ConstVol> ss(new PDSS_ConstVol());
auto ss = make_unique<PDSS_ConstVol>();
ss->setMolarVolume(v);
p.installPDSS(k++, std::move(ss));
}
@@ -324,11 +324,11 @@ TEST(DebyeHuckel, fromScratch)
for (auto& s : {sH2O, sNa, sCl, sH, sOH, sNaCl}) {
p.addSpecies(s);
}
std::unique_ptr<PDSS_Water> ss(new PDSS_Water());
auto ss = make_unique<PDSS_Water>();
p.installPDSS(0, std::move(ss));
size_t k = 1;
for (double v : {1.3, 1.3, 0.0, 1.3, 1.3}) {
std::unique_ptr<PDSS_ConstVol> ss(new PDSS_ConstVol());
auto ss = make_unique<PDSS_ConstVol>();
ss->setMolarVolume(v);
p.installPDSS(k++, std::move(ss));
}
@@ -368,7 +368,7 @@ TEST(MargulesVPSSTP, fromScratch)
p.addSpecies(sLiCl);
size_t k = 0;
for (double v : {0.03757, 0.020304}) {
std::unique_ptr<PDSS_ConstVol> ss(new PDSS_ConstVol());
auto ss = make_unique<PDSS_ConstVol>();
ss->setMolarVolume(v);
p.installPDSS(k++, std::move(ss));
}
@@ -500,11 +500,11 @@ TEST(HMWSoln, fromScratch)
for (auto& s : {sH2O, sCl, sH, sNa, sOH}) {
p.addSpecies(s);
}
std::unique_ptr<PDSS_Water> ss(new PDSS_Water());
auto ss = make_unique<PDSS_Water>();
p.installPDSS(0, std::move(ss));
size_t k = 1;
for (double v : {1.3, 1.3, 1.3, 1.3}) {
std::unique_ptr<PDSS_ConstVol> ss(new PDSS_ConstVol());
auto ss = make_unique<PDSS_ConstVol>();
ss->setMolarVolume(v);
p.installPDSS(k++, std::move(ss));
}
@@ -567,11 +567,11 @@ TEST(HMWSoln, fromScratch_HKFT)
double c[][2] = {{18.18, -29810}, {-4.4, -57140}, {0.0, 0.0}, {4.15, -103460}};
double omega[] = {33060, 145600, 0.0, 172460};
std::unique_ptr<PDSS_Water> ss(new PDSS_Water());
auto ss = make_unique<PDSS_Water>();
p.installPDSS(0, std::move(ss));
UnitSystem units;
for (size_t k = 0; k < 4; k++) {
std::unique_ptr<PDSS_HKFT> ss(new PDSS_HKFT());
auto ss = make_unique<PDSS_HKFT>();
if (h0[k] != Undef) {
ss->setDeltaH0(units.convertFrom(h0[k], "cal/gmol"));
}
@@ -625,7 +625,7 @@ TEST(PDSS_SSVol, fromScratch)
auto sLi = make_shomate2_species("Li(L)", "Li:1", coeffs);
p.addSpecies(sLi);
p.setStandardConcentrationModel("unity");
std::unique_ptr<PDSS_SSVol> ss(new PDSS_SSVol());
auto ss = make_unique<PDSS_SSVol>();
double rho_coeffs[] = {536.504, -1.04279e-1, 3.84825e-6, -5.2853e-9};
ss->setDensityPolynomial(rho_coeffs);
p.installPDSS(0, std::move(ss));

20
test/thermo/thermoParameterizations.cpp
View File

@@ -39,9 +39,9 @@ TEST_F(SpeciesThermoInterpTypeTest, install_const_cp)
auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
auto sH2O = make_shared<Species>("H2O", parseCompString("H:2 O:1"));
sO2->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_o2));
sH2->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_h2));
sH2O->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_h2o));
sO2->thermo = make_shared<ConstCpPoly>(200, 5000, 101325, c_o2);
sH2->thermo = make_shared<ConstCpPoly>(200, 5000, 101325, c_h2);
sH2O->thermo = make_shared<ConstCpPoly>(200, 5000, 101325, c_h2o);
p.addSpecies(sO2);
p.addSpecies(sH2);
p.addSpecies(sH2O);
@@ -60,8 +60,8 @@ TEST_F(SpeciesThermoInterpTypeTest, DISABLED_install_bad_pref)
// pressure consistency.
auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
sO2->thermo.reset(new ConstCpPoly(200, 5000, 101325, c_o2));
sH2->thermo.reset(new ConstCpPoly(200, 5000, 100000, c_h2));
sO2->thermo = make_shared<ConstCpPoly>(200, 5000, 101325, c_o2);
sH2->thermo = make_shared<ConstCpPoly>(200, 5000, 100000, c_h2);
p.addSpecies(sO2);
// Pref does not match
ASSERT_THROW(p.addSpecies(sH2), CanteraError);
@@ -74,9 +74,9 @@ TEST_F(SpeciesThermoInterpTypeTest, install_nasa)
auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
auto sH2O = make_shared<Species>("H2O", parseCompString("H:2 O:1"));
sO2->thermo.reset(new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs));
sH2->thermo.reset(new NasaPoly2(200, 3500, 101325, h2_nasa_coeffs));
sH2O->thermo.reset(new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs));
sO2->thermo = make_shared<NasaPoly2>(200, 3500, 101325, o2_nasa_coeffs);
sH2->thermo = make_shared<NasaPoly2>(200, 3500, 101325, h2_nasa_coeffs);
sH2O->thermo = make_shared<NasaPoly2>(200, 3500, 101325, h2o_nasa_coeffs);
p.addSpecies(sO2);
p.addSpecies(sH2);
p.addSpecies(sH2O);
@@ -95,8 +95,8 @@ TEST_F(SpeciesThermoInterpTypeTest, install_shomate)
IdealGasPhase p2("simplephases.yaml", "shomate1");
auto sCO = make_shared<Species>("CO", parseCompString("C:1 O:1"));
auto sCO2 = make_shared<Species>("CO2", parseCompString("C:1 O:2"));
sCO->thermo.reset(new ShomatePoly2(200, 6000, 101325, co_shomate_coeffs));
sCO2->thermo.reset(new ShomatePoly2(200, 6000, 101325, co2_shomate_coeffs));
sCO->thermo = make_shared<ShomatePoly2>(200, 6000, 101325, co_shomate_coeffs);
sCO2->thermo = make_shared<ShomatePoly2>(200, 6000, 101325, co2_shomate_coeffs);
p.addSpecies(sCO);
p.addSpecies(sCO2);
p.initThermo();

8
test/transport/transportFromScratch.cpp
View File

@@ -26,9 +26,9 @@ public:
, tO2(new GasTransportData())
, tH2O(new GasTransportData())
{
sH2->thermo.reset(new NasaPoly2(200, 3500, 101325, h2_nasa_coeffs));
sO2->thermo.reset(new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs));
sH2O->thermo.reset(new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs));
sH2->thermo = make_shared<NasaPoly2>(200, 3500, 101325, h2_nasa_coeffs);
sO2->thermo = make_shared<NasaPoly2>(200, 3500, 101325, o2_nasa_coeffs);
sH2O->thermo = make_shared<NasaPoly2>(200, 3500, 101325, h2o_nasa_coeffs);
tH2->setCustomaryUnits("linear", 2.92, 38.0, 0.0, 0.79, 280.0);
tO2->setCustomaryUnits("linear", 3.458, 107.40, 0.0, 1.60, 3.80);
@@ -44,7 +44,7 @@ public:
"species: [{gri30.yaml/species: [H2, O2, H2O]}]");
ref = newThermo(phase_def);
test.reset(new IdealGasPhase());
test = make_shared<IdealGasPhase>();
test->addElement("O");
test->addElement("H");

4
test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp
View File

@@ -17,8 +17,8 @@ void testProblem(int printLvl)
auto LiSi_solid = newThermo("Li7Si3_latsol.yaml", "Li7Si3_and_Interstitials(S)");
auto Li_liq = newThermo("Li7Si3_latsol.yaml", "Li(L)");
auto LiFixed = newThermo("Li7Si3_latsol.yaml", "LiFixed");
shared_ptr<ThermoPhase> salt(new MargulesVPSSTP(
"Li7Si3_latsol.yaml", "MoltenSalt_electrolyte"));
auto salt = make_unique<MargulesVPSSTP>(
"Li7Si3_latsol.yaml", "MoltenSalt_electrolyte");
// set states
vector_fp x(salt->nSpecies(), 0);

5
test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp
View File

@@ -85,8 +85,7 @@ int main(int argc, char** argv)
// Initialize the individual phases
shared_ptr<ThermoPhase> hmw(new HMWSoln(
inputFile, "NaCl_electrolyte_complex_shomate"));
auto hmw = make_shared<HMWSoln>(inputFile, "NaCl_electrolyte_complex_shomate");
hmw->setName("NaCl_electrolyte");
size_t kk = hmw->nSpecies();
vector_fp Xmol(kk, 0.0);
@@ -106,7 +105,7 @@ int main(int argc, char** argv)
gas->setState_TPX(T, pres, Xmol.data());
shared_ptr<ThermoPhase> ss(new StoichSubstance("NaCl_Solid.yaml"));
auto ss = make_unique<StoichSubstance>("NaCl_Solid.yaml");
ss->setState_TP(T, pres);