commit ec4f6344634a00a39bdb616fdc880b316580988e
parent fb842f8643ca187a6f5c8ae6f8c9ed0dbaeaf7a5
Author: Vincent Forest <vincent.forest@meso-star.com>
Date: Wed, 28 Jan 2026 15:39:15 +0100
Add the SHTR_MOLECULE_CSTR table
It associates the molecule identifier with the molecule name.
Diffstat:
1 file changed, 16 insertions(+), 0 deletions(-)
diff --git a/src/shtr.h b/src/shtr.h
@@ -62,6 +62,22 @@ enum shtr_molecule_id {
SHTR_MAX_MOLECULES_COUNT = SHTR_NF3
};
+/* Table that associates the molecule ID with its name */
+static const char* SHTR_MOLECULE_CSTR[SHTR_MAX_MOLECULES_COUNT] = {
+ NULL, /* SHTR_MOLECULE_ID_NULL__ */
+
+ "H2O", "CO2", "O3", "N2O", "CO", "CH4",
+ "O2", "NO", "SO2", "NO2", "NH3", "HNO3",
+ "OH", "HF", "HCl", "HBr", "HI", "ClO",
+ "OCS", "H2CO", "HOCl", "N2", "HCN", "CH3Cl",
+ "H2O2", "C2H2", "C2H6", "PH3", "COF2", "SF6",
+ "H2S", "HCOOH", "HO2", "O", "ClONO2", "NO+",
+ "HOBr", "C2H4", "CH3OH", "CH3Br", "CH3CN", "CF4",
+ "C4H2", "HC3N", "H2", "CS", "SO3", "C2N2",
+ "COCl2", "SO", "CH3F", "GeH4", "CS2", "CH3I",
+ "NF3"
+};
+
struct shtr_isotope {
double abundance; /* in ]0, 1] */
double Q296K; /* Partition function at Tref = 296K */