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database_unknown.cpp
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Mon, Jul 22, 12:52
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Wed, Jul 24, 12:52 (2 d)
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rSPECMICP SpecMiCP / ReactMiCP
database_unknown.cpp
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#include "catch.hpp"
#include "specmicp_database/yaml_reader.hpp"
#include "specmicp_database/unknown_class.hpp"
#include "str_database.hpp"
using
namespace
specmicp
;
using
namespace
specmicp
::
database
;
TEST_CASE
(
"unknown aqueous"
)
{
std
::
istringstream
input
(
good_test_database
);
DataReaderYaml
reader
(
input
);
auto
data
=
reader
.
get_database
();
SECTION
(
"Find aqueous class"
)
{
SpeciesTypeFinder
fd
(
data
);
CHECK
(
fd
.
find_aqueous_species_class
(
"C1[-]"
)
==
AqueousSpeciesClass
::
Component
);
CHECK
(
fd
.
find_aqueous_species_class
(
"A1"
)
==
AqueousSpeciesClass
::
Aqueous
);
CHECK
(
fd
.
find_aqueous_species_class
(
"Comp1"
)
==
AqueousSpeciesClass
::
Compound
);
CHECK
(
fd
.
find_aqueous_species_class
(
"plop"
)
==
AqueousSpeciesClass
::
Invalid
);
}
SECTION
(
"Find aqueous"
)
{
SpeciesTypeFinder
fd
(
data
);
GenericAqueousSpecies
aq_class
=
fd
.
find_aqueous_species
(
"C1[-]"
);
CHECK
(
aq_class
.
type
==
AqueousSpeciesClass
::
Component
);
CHECK
(
aq_class
.
id
==
2
);
aq_class
=
fd
.
find_aqueous_species
(
"A1"
);
CHECK
(
aq_class
.
type
==
AqueousSpeciesClass
::
Aqueous
);
CHECK
(
aq_class
.
id
==
0
);
aq_class
=
fd
.
find_aqueous_species
(
"Comp1"
);
CHECK
(
aq_class
.
type
==
AqueousSpeciesClass
::
Compound
);
CHECK
(
aq_class
.
id
==
0
);
aq_class
=
fd
.
find_aqueous_species
(
"plop"
);
CHECK
(
aq_class
.
type
==
AqueousSpeciesClass
::
Invalid
);
CHECK
(
aq_class
.
id
==
no_species
);
}
SECTION
(
"Molar mass aqueous"
)
{
SpeciesTypeFinder
fd
(
data
);
CHECK
(
fd
.
molar_mass_aqueous
(
"C3"
)
==
Approx
(
4.0e-3
));
CHECK
(
fd
.
molar_mass_aqueous
(
"A3[-]"
)
==
Approx
(
6.0e-3
));
CHECK
(
fd
.
molar_mass_aqueous
(
"Comp1"
)
==
Approx
(
6.0e-3
));
CHECK_THROWS_AS
(
fd
.
molar_mass_aqueous
(
"plop"
),
InvalidGenericAqueousSpecies
);
}
SECTION
(
"Find solid phase claass"
)
{
SpeciesTypeFinder
fd
(
data
);
CHECK
(
fd
.
find_solid_phase_class
(
"M1"
)
==
SolidPhaseClass
::
EquilibriumMineral
);
CHECK
(
fd
.
find_solid_phase_class
(
"MK1"
)
==
SolidPhaseClass
::
MineralKinetics
);
CHECK
(
fd
.
find_solid_phase_class
(
"plip"
)
==
SolidPhaseClass
::
Invalid
);
}
SECTION
(
"Find solid phase"
)
{
SpeciesTypeFinder
fd
(
data
);
GenericSolidPhase
sol_class
=
fd
.
find_solid_phase
(
"M2"
);
CHECK
(
sol_class
.
type
==
SolidPhaseClass
::
EquilibriumMineral
);
CHECK
(
sol_class
.
id
==
1
);
sol_class
=
fd
.
find_solid_phase
(
"MK1"
);
CHECK
(
sol_class
.
type
==
SolidPhaseClass
::
MineralKinetics
);
CHECK
(
sol_class
.
id
==
0
);
sol_class
=
fd
.
find_solid_phase
(
"plip"
);
CHECK
(
sol_class
.
type
==
SolidPhaseClass
::
Invalid
);
CHECK
(
sol_class
.
id
==
no_species
);
}
SECTION
(
"Molar mass solid"
)
{
SpeciesTypeFinder
fd
(
data
);
CHECK
(
fd
.
molar_mass_solid_phase
(
"M1"
)
==
Approx
(
5e-3
));
CHECK
(
fd
.
molar_mass_solid_phase
(
"MK1"
)
==
Approx
(
13e-3
));
CHECK_THROWS_AS
(
fd
.
molar_mass_solid_phase
(
"plip"
),
InvalidSolidPhase
);
}
SECTION
(
"Molar volume solid"
)
{
SpeciesTypeFinder
fd
(
data
);
CHECK
(
fd
.
molar_volume_solid_phase
(
"M1"
)
==
Approx
(
10e-6
));
CHECK
(
fd
.
molar_volume_solid_phase
(
"MK1"
)
==
Approx
(
30e-6
));
CHECK_THROWS_AS
(
fd
.
molar_volume_solid_phase
(
"plip"
),
InvalidSolidPhase
);
}
}
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