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Remove 'thermo' argument from Species constructor

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Since the Species object now stores its SpeciesThermoInterpType contents as a
shared_ptr, it is undesirable to have the Species constructor take this as a raw
pointer argument.
This commit is contained in:
Ray Speth 2015-03-03 20:04:44 -05:00
parent 43952b30fc
commit 882a4986da
7 changed files with 44 additions and 50 deletions
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7
include/cantera/thermo/Species.h
View file

@ -23,13 +23,8 @@ public:
Species();
//! Constructor
/*!
* The Species object takes ownership of the SpeciesThermoInterpType
* object, if provided.
*/
Species(const std::string& name, const compositionMap& comp,
SpeciesThermoInterpType* thermo=0, double charge=0.0,
double size=0.0);
double charge=0.0, double size=0.0);
Species(const Species& other);
Species& operator=(const Species& other);

2
src/thermo/Phase.cpp
View file

@ -933,7 +933,7 @@ void Phase::addSpecies(const std::string& name_, const doublereal* comp,
cmap[elementName(i)] = comp[i];
}
}
shared_ptr<Species> sp(new Species(name_, cmap, 0, charge_, size_));
shared_ptr<Species> sp(new Species(name_, cmap, charge_, size_));
Phase::addSpecies(sp);
}

3
src/thermo/Species.cpp
View file

@ -15,12 +15,11 @@ Species::Species()
}
Species::Species(const std::string& name_, const compositionMap& comp_,
SpeciesThermoInterpType* therm, double charge_, double size_)
double charge_, double size_)
: name(name_)
, composition(comp_)
, charge(charge_)
, size(size_)
, thermo(therm)
{
}

4
src/thermo/ThermoFactory.cpp
View file

@ -620,8 +620,8 @@ bool installSpecies(size_t k, const XML_Node& s, thermo_t& th,
VPStandardStateTP* vp_ptr = dynamic_cast<VPStandardStateTP*>(&th);
vp_ptr->createInstallPDSS(k, s, phaseNode_ptr);
} else {
SpeciesThermoInterpType* st = newSpeciesThermoInterpType(s);
shared_ptr<Species> sp(new Species(s["name"], comp_map, st, chrg, sz));
shared_ptr<Species> sp(new Species(s["name"], comp_map, chrg, sz));
sp->thermo.reset(newSpeciesThermoInterpType(s));
// Read gas-phase transport data, if provided
if (s.hasChild("transport") &&

24
test/thermo/phaseConstructors.cpp
View file

@ -105,19 +105,19 @@ class ConstructFromScratch : public testing::Test
{
public:
ConstructFromScratch()
: sH2O(new Species("H2O", parseCompString("H:2 O:1"),
new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs)))
, sH2(new Species("H2", parseCompString("H:2"),
new NasaPoly2(200, 3500, 101325, h2_nasa_coeffs)))
, sO2(new Species("O2", parseCompString("O:2"),
new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs)))
, sOH(new Species("OH", parseCompString("H:1 O:1"),
new NasaPoly2(200, 3500, 101325, oh_nasa_coeffs)))
, sCO(new Species("CO", parseCompString("C:1 O:1"),
new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs)))
, sCO2(new Species("CO2", parseCompString("C:1 O:2"),
new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs)))
: sH2O(new Species("H2O", parseCompString("H:2 O:1")))
, sH2(new Species("H2", parseCompString("H:2")))
, sO2(new Species("O2", parseCompString("O:2")))
, sOH(new Species("OH", parseCompString("H:1 O:1")))
, sCO(new Species("CO", parseCompString("C:1 O:1")))
, sCO2(new Species("CO2", parseCompString("C:1 O:2")))
{
sH2O->thermo.reset(new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs));
sH2->thermo.reset(new NasaPoly2(200, 3500, 101325, h2_nasa_coeffs));
sO2->thermo.reset(new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs));
sOH->thermo.reset(new NasaPoly2(200, 3500, 101325, oh_nasa_coeffs));
sCO->thermo.reset(new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs));
sCO2->thermo.reset(new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs));
}
IdealGasPhase p;

41
test/thermo/thermoParameterizations.cpp
View file

@ -32,12 +32,12 @@ TEST_F(SpeciesThermoInterpTypeTest, install_const_cp)
{
// Compare against instantiation from CTI file
IdealGasPhase p2("../data/simplephases.cti", "simple1");
SpeciesThermoInterpType* stit_o2 = new ConstCpPoly(200, 5000, 101325, c_o2);
SpeciesThermoInterpType* stit_h2 = new ConstCpPoly(200, 5000, 101325, c_h2);
SpeciesThermoInterpType* stit_h2o = new ConstCpPoly(200, 5000, 101325, c_h2o);
shared_ptr<Species> sO2(new Species("O2", parseCompString("O:2"), stit_o2));
shared_ptr<Species> sH2(new Species("H2", parseCompString("H:2"), stit_h2));
shared_ptr<Species> sH2O(new Species("H2O", parseCompString("H:2 O:1"), stit_h2o));
shared_ptr<Species> sO2(new Species("O2", parseCompString("O:2")));
shared_ptr<Species> sH2(new Species("H2", parseCompString("H:2")));
shared_ptr<Species> sH2O(new 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));
p.addSpecies(sO2);
p.addSpecies(sH2);
p.addSpecies(sH2O);
@ -54,26 +54,25 @@ TEST_F(SpeciesThermoInterpTypeTest, DISABLED_install_bad_pref)
{
// Currently broken because GeneralSpeciesThermo does not enforce reference
// pressure consistency.
SpeciesThermoInterpType* stit_o2 = new ConstCpPoly(200, 5000, 101325, c_o2);
SpeciesThermoInterpType* stit_h2 = new ConstCpPoly(200, 5000, 100000, c_h2);
shared_ptr<Species> sO2(new Species("O2", parseCompString("O:2"), stit_o2));
shared_ptr<Species> sH2(new Species("H2", parseCompString("H:2"), stit_h2));
shared_ptr<Species> sO2(new Species("O2", parseCompString("O:2")));
shared_ptr<Species> sH2(new 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));
p.addSpecies(sO2);
// Pref does not match
ASSERT_THROW(p.addSpecies(sH2), CanteraError);
delete stit_h2;
}
TEST_F(SpeciesThermoInterpTypeTest, install_nasa)
{
// Compare against instantiation from CTI file
IdealGasPhase p2("../data/simplephases.cti", "nasa1");
SpeciesThermoInterpType* stit_o2 = new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs);
SpeciesThermoInterpType* stit_h2 = new NasaPoly2(200, 3500, 101325, h2_nasa_coeffs);
SpeciesThermoInterpType* stit_h2o = new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs);
shared_ptr<Species> sO2(new Species("O2", parseCompString("O:2"), stit_o2));
shared_ptr<Species> sH2(new Species("H2", parseCompString("H:2"), stit_h2));
shared_ptr<Species> sH2O(new Species("H2O", parseCompString("H:2 O:1"), stit_h2o));
shared_ptr<Species> sO2(new Species("O2", parseCompString("O:2")));
shared_ptr<Species> sH2(new Species("H2", parseCompString("H:2")));
shared_ptr<Species> sH2O(new 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));
p.addSpecies(sO2);
p.addSpecies(sH2);
p.addSpecies(sH2O);
@ -90,10 +89,10 @@ TEST_F(SpeciesThermoInterpTypeTest, install_shomate)
{
// Compare against instantiation from CTI file
IdealGasPhase p2("../data/simplephases.cti", "shomate1");
SpeciesThermoInterpType* stit_co = new ShomatePoly2(200, 6000, 101325, co_shomate_coeffs);
SpeciesThermoInterpType* stit_co2 = new ShomatePoly2(200, 6000, 101325, co2_shomate_coeffs);
shared_ptr<Species> sCO(new Species("CO", parseCompString("C:1 O:1"), stit_co));
shared_ptr<Species> sCO2(new Species("CO2", parseCompString("C:1 O:2"), stit_co2));
shared_ptr<Species> sCO(new Species("CO", parseCompString("C:1 O:1")));
shared_ptr<Species> sCO2(new 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));
p.addSpecies(sCO);
p.addSpecies(sCO2);
p.initThermo();

13
test/transport/transportFromScratch.cpp
View file

@ -18,16 +18,17 @@ class TransportFromScratch : public testing::Test
{
public:
TransportFromScratch()
: sH2(new Species("H2", parseCompString("H:2"),
new NasaPoly2(200, 3500, 101325, h2_nasa_coeffs)))
, sO2(new Species("O2", parseCompString("O:2"),
new NasaPoly2(200, 3500, 101325, o2_nasa_coeffs)))
, sH2O(new Species("H2O", parseCompString("H:2 O:1"),
new NasaPoly2(200, 3500, 101325, h2o_nasa_coeffs)))
: sH2(new Species("H2", parseCompString("H:2")))
, sO2(new Species("O2", parseCompString("O:2")))
, sH2O(new Species("H2O", parseCompString("H:2 O:1")))
, tH2(new GasTransportData())
, 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));
tH2->setCustomaryUnits("H2", "linear", 2.92, 38.0, 0.0, 0.79, 280.0);
tO2->setCustomaryUnits("O2", "linear", 3.46, 107.40, 0.0, 1.60, 3.80);
tH2O->setCustomaryUnits("H2O", "nonlinear", 2.60, 572.4, 1.84, 0.0, 4.00);