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database_appender.cpp
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Sat, May 25, 04:46
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Mon, May 27, 04:46 (1 d, 23 h)
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rSPECMICP SpecMiCP / ReactMiCP
database_appender.cpp
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#include "catch.hpp"
#include "specmicp_database/yaml_reader.hpp"
#include "specmicp_database/appender.hpp"
#include "str_database.hpp"
#include "specmicp_common/timer.hpp"
#include <iostream>
#include <sstream>
using
namespace
specmicp
;
using
namespace
specmicp
::
database
;
static
std
::
string
mineral_appendix_database
=
R
"plop(
[
{
"label"
:
"MA1"
,
"composition"
:
"2 A2[+], A3[-], C1[-]"
,
"log_k"
:
-
10
,
"molar_volume"
:
30.0
},
{
"label"
:
"MKA1"
,
"composition"
:
"4C3, 3A1"
,
"log_k"
:
-
20
,
"molar_volume"
:
50.0
,
"flag_kinetic"
:
1
}
]
)
plop
";
static
std
::
string
gas_appendix_database
=
R
"plop(
[
{
"label"
:
"GA1"
,
"composition"
:
"A1"
,
"log_k"
:
-
6
}
]
)
plop
";
static
std
::
string
sorbed_appendix_database
=
R
"plop(
[
{
"label"
:
"SA1"
,
"composition"
:
"A1"
,
"log_k"
:
-
5
,
"nb_sites_occupied"
:
2
}
]
)
plop
";
static
std
::
string
compounds_appendix_database
=
R
"plop(
[
{
"label"
:
"CompA1"
,
"composition"
:
"6 H2O, C3"
}
]
)
plop
";
TEST_CASE
(
"DatabaseAppender"
,
"[Database],[Appender],[Minerals]"
)
{
std
::
istringstream
input
(
good_test_database
);
DataReaderYaml
reader
(
input
);
auto
data
=
reader
.
get_database
();
SECTION
(
"Append minerals"
)
{
size_t
orig_hash
=
data
->
get_hash
();
DataAppender
appender
(
data
);
appender
.
add_minerals
(
mineral_appendix_database
,
false
);
CHECK
(
data
->
is_valid
());
CHECK
(
data
->
get_hash
()
!=
orig_hash
);
CHECK
(
data
->
nb_mineral
()
==
3
);
CHECK
(
data
->
nb_mineral_kinetic
()
==
2
);
CHECK
(
data
->
get_id_mineral
(
"MA1"
)
==
2
);
CHECK
(
data
->
get_id_mineral_kinetic
(
"MKA1"
)
==
1
);
CHECK
(
data
->
nu_mineral
(
2
,
3
)
==
4.0
);
CHECK
(
data
->
molar_volume_mineral
(
2
)
==
30.0
*
1e-6
);
CHECK
(
data
->
molar_mass_mineral_kinetic
(
1
,
units
::
MassUnit
::
gram
)
==
31.0
);
}
SECTION
(
"Append gas"
)
{
size_t
orig_hash
=
data
->
get_hash
();
DataAppender
appender
(
data
);
appender
.
add_gas
(
gas_appendix_database
,
false
);
CHECK
(
data
->
is_valid
());
CHECK
(
data
->
get_hash
()
!=
orig_hash
);
CHECK
(
data
->
nb_gas
()
==
2
);
CHECK
(
data
->
get_id_gas
(
"GA1"
)
==
1
);
CHECK
(
data
->
nu_gas
(
1
,
2
)
==
1
);
CHECK
(
data
->
nu_gas
(
1
,
3
)
==
1
);
}
SECTION
(
"Append sorbed"
)
{
size_t
orig_hash
=
data
->
get_hash
();
DataAppender
appender
(
data
);
appender
.
add_sorbed
(
sorbed_appendix_database
,
false
);
CHECK
(
data
->
is_valid
());
CHECK
(
data
->
get_hash
()
!=
orig_hash
);
CHECK
(
data
->
nb_sorbed
()
==
2
);
CHECK
(
data
->
get_id_sorbed
(
"SA1"
)
==
1
);
CHECK
(
data
->
nu_sorbed
(
1
,
2
)
==
1
);
CHECK
(
data
->
nu_sorbed
(
1
,
3
)
==
1
);
CHECK
(
data
->
nb_sorption_sites
(
1
)
==
2
);
}
SECTION
(
"Append compounds"
)
{
size_t
orig_hash
=
data
->
get_hash
();
DataAppender
appender
(
data
);
appender
.
add_compounds
(
compounds_appendix_database
,
false
);
CHECK
(
data
->
is_valid
());
CHECK
(
data
->
get_hash
()
!=
orig_hash
);
CHECK
(
data
->
nb_compounds
()
==
2
);
CHECK
(
data
->
get_id_compound
(
"CompA1"
)
==
1
);
CHECK
(
data
->
nu_compound
(
1
,
0
)
==
6
);
CHECK
(
data
->
nu_compound
(
1
,
4
)
==
1
);
}
}
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