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database_selector.cpp
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Created
Wed, Sep 18, 15:05
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3 KB
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text/x-c
Expires
Fri, Sep 20, 15:05 (2 d)
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blob
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Handle
20864958
Attached To
rSPECMICP SpecMiCP / ReactMiCP
database_selector.cpp
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#include "catch.hpp"
#include "database/yaml_reader.hpp"
#include "database/selector.hpp"
#include "database/mineral_selector.hpp"
#include "str_database.hpp"
#include "utils/timer.hpp"
#include <iostream>
#include <sstream>
using
namespace
specmicp
;
using
namespace
specmicp
::
database
;
TEST_CASE
(
"DatabaseSelector"
,
"[Database, Component]"
)
{
std
::
istringstream
input
(
good_test_database
);
DataReaderYaml
reader
(
input
);
auto
data
=
reader
.
get_database
();
SECTION
(
"Remove a component"
)
{
Timer
timer
;
DatabaseSelector
selector
(
data
);
selector
.
remove_component
({
data
->
components
.
get_id
(
"C3"
)});
timer
.
stop
();
std
::
cout
<<
"Removing a component : "
<<
timer
.
elapsed_time
()
*
1000
<<
" ms (Ref 0.010ms)"
<<
std
::
endl
;
CHECK
(
data
->
components
.
is_valid
());
CHECK
(
data
->
aqueous
.
is_valid
());
CHECK
(
data
->
minerals
.
is_valid
());
CHECK
(
data
->
minerals_kinetic
.
is_valid
());
CHECK
(
data
->
gas
.
is_valid
());
CHECK
(
data
->
is_valid
());
// basis
CHECK
(
data
->
nb_component
()
==
4
);
CHECK
(
data
->
components
.
get_id
(
"C3"
)
==
no_species
);
// aqueous
CHECK
(
data
->
nb_aqueous
()
==
2
);
CHECK
(
data
->
aqueous
.
get_id
(
"A3"
)
==
no_species
);
// minerals
CHECK
(
data
->
nb_mineral
()
==
1
);
CHECK
(
data
->
minerals
.
get_id
(
"M2"
)
==
no_species
);
// minerals_kinetic
CHECK
(
data
->
nb_mineral_kinetic
()
==
0
);
CHECK
(
data
->
minerals_kinetic
.
get_id
(
"MK1"
)
==
no_species
);
// Gas
CHECK
(
data
->
nb_gas
()
==
0
);
CHECK
(
data
->
gas
.
get_id
(
"G1"
)
==
no_species
);
// Sorbed
CHECK
(
data
->
nb_sorbed
()
==
0
);
CHECK
(
data
->
sorbed
.
get_id
(
"S1"
)
==
no_species
);
// compound
CHECK
(
data
->
nb_compounds
()
==
0
);
CHECK
(
data
->
compounds
.
get_id
(
"Comp1"
)
==
no_species
);
// Element
CHECK
(
data
->
get_id_component_from_element
(
"C3"
)
==
no_species
);
CHECK
(
data
->
get_label_component_from_element
(
"C1"
)
==
"C1[-]"
);
CHECK
(
data
->
get_label_component_from_element
(
"C2"
)
==
"C2[+]"
);
}
}
TEST_CASE
(
"MineralSelector"
,
"[Select,minerals]"
)
{
std
::
istringstream
input
(
good_test_database
);
auto
data
=
DataReaderYaml
(
input
).
get_database
();
SECTION
(
"Mineral selector"
)
{
size_t
orig_hash
=
data
->
get_hash
();
MineralSelector
(
data
).
keep_only
({
"M1"
});
CHECK
(
data
->
minerals
.
is_valid
());
CHECK
(
data
->
minerals_kinetic
.
is_valid
());
CHECK
(
data
->
is_valid
());
CHECK
(
data
->
get_hash
()
!=
orig_hash
);
// Mineral
// -------
CHECK
(
data
->
nb_mineral
()
==
1
);
CHECK
(
data
->
minerals
.
get_id
(
"M2"
)
==
no_species
);
CHECK
(
data
->
nu_mineral
(
0
,
0
)
==
0.0
);
CHECK
(
data
->
nu_mineral
(
0
,
1
)
==
0.0
);
CHECK
(
data
->
nu_mineral
(
0
,
2
)
==
1.0
);
CHECK
(
data
->
nu_mineral
(
0
,
3
)
==
1.0
);
CHECK
(
data
->
nu_mineral
(
0
,
4
)
==
0.0
);
CHECK
(
data
->
logk_mineral
(
0
)
==
-
7
);
CHECK
(
data
->
molar_volume_mineral
(
0
)
==
1e-6
*
10.0
);
// Mineral kinetic
// ---------------
CHECK
(
data
->
nb_mineral_kinetic
()
==
2
);
CHECK
(
data
->
minerals_kinetic
.
get_id
(
"M2"
)
==
1
);
CHECK
(
data
->
nu_mineral_kinetic
(
0
,
0
)
==
0.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
0
,
1
)
==
0.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
0
,
2
)
==
1.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
0
,
3
)
==
1.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
0
,
4
)
==
2.0
);
CHECK
(
data
->
logk_mineral_kinetic
(
0
)
==
-
9
);
CHECK
(
data
->
molar_volume_mineral_kinetic
(
0
)
==
1e-6
*
30.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
1
,
0
)
==
0.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
1
,
1
)
==
0.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
1
,
2
)
==
2.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
1
,
3
)
==
2.0
);
CHECK
(
data
->
nu_mineral_kinetic
(
1
,
4
)
==
1.0
);
CHECK
(
data
->
logk_mineral_kinetic
(
1
)
==
-
6
+
data
->
logk_aqueous
(
1
)
+
data
->
logk_aqueous
(
2
));
CHECK
(
data
->
unsafe_molar_volume_mineral_kinetic
(
1
)
<
0
);
}
}
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