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str_database.hpp
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Created
Thu, Aug 22, 03:22
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1 KB
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text/x-c
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Sat, Aug 24, 03:22 (2 d)
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blob
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20077453
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rSPECMICP SpecMiCP / ReactMiCP
str_database.hpp
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#include <string>
static
std
::
string
good_test_database
=
R
"plop(
Metadata:
name:
"test_database"
version:
"1.0.0"
check_composition:
false
Elements:
-
element:
"H2O"
component:
"H2O"
-
element:
"E[-]"
component:
"E[-]"
-
element:
"C1"
component:
"C1[-]"
-
element:
"C2"
component:
"C2[+]"
-
element:
"C3"
component:
"C3"
Basis:
-
label:
"H2O"
molar_mass:
1.0
-
label:
"E[-]"
molar_mass:
0.0
-
label:
"C1[-]"
molar_mass:
2.0
activity:
{
a:
1.0
,
b:
0.4
}
-
label:
"C2[+]"
molar_mass:
3.0
activity:
{
a:
1.0
,
b:
0.4
}
-
label:
"C3"
molar_mass:
4.0
activity:
{
a:
0.0
,
b:
0.1
}
Aqueous:
-
label:
"A1"
composition:
"C1[-], C2[+]"
log_k:
-
2
activity:
{
a:
0.0
,
b:
0.1
}
-
label:
"A2[+]"
composition:
"A1, C2[+]"
log_k:
-
2.0
activity:
{
a:
1.0
,
b:
0.4
}
-
label:
"A3[-]"
composition:
"C3, C1[-]"
log_k:
-
2
activity:
{
a:
1.0
,
b:
0.4
}
Minerals:
-
label:
"M1"
composition:
"A1"
log_k:
-
5
molar_volume:
10.0
-
label:
"M2"
composition:
"A2[+], A3[-]"
log_k:
-
6
-
label:
"MK1"
composition:
"2C3, A1"
log_k:
-
7
molar_volume:
30.0
flag_kinetic:
1
Gas:
-
label:
"G1"
composition:
"C3"
log_k:
3
Sorbed:
-
label:
"S1"
composition:
"C3"
nb_sites_occupied:
1
log_k:
-
6.0
Compounds:
-
label:
"Comp1"
composition:
"2 H2O, C3"
)
plop
";
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