star-hitran

commit 46d3a21f10e9b7305dd8df20837f0e412c2a0ad0
parent bd06ecca27908f0e4c2c0d97e571c3a33d617ecb
Author: Vincent Forest <vincent.forest@meso-star.com>
Date:   Mon, 14 Feb 2022 15:51:02 +0100

Update the memory layout of a transition

Encode it on 64 bytes rather than 32 bytes because double precision is
required to match the accuracy of the stored data.

Diffstat:
M
src/shitran.h
 | 
20
++++++++++----------
M
src/shitran_transitions.c
 | 
18
+++++++++---------

2 files changed, 19 insertions(+), 19 deletions(-)
diff --git a/src/shitran.h b/src/shitran.h
@@ -77,16 +77,16 @@ static const struct shitran_molecule SHITRAN_MOLECULE_NULL =
   ((Molecule)->id == SHITRAN_MOLECULE_NULL.id)
 
 struct shitran_transition {
-  float wavenumber; /* Central wavenumber in vacuum [cm^-1] */
-  float intensity; /* Reference intensity [cm^-1/(molec.cm^2)] */
-  float gamma_air; /* Air broadening half-width [cm^-1.atm^-1] */
-  float gamma_self; /* Self broadening half-width [cm^-1.atm^-1] */
-  float lower_state_energy; /* [cm^-1] */
-  float n_air; /* Temperature-dependant exponent */
-  float delta_air; /* Air-pressure wavenumber shift [cm^-1.atm^-1] */
-
-  int16_t molecule_id;
-  int16_t isotope_id_local;
+  double wavenumber; /* Central wavenumber in vacuum [cm^-1] */
+  double intensity; /* Reference intensity [cm^-1/(molec.cm^2)] */
+  double gamma_air; /* Air broadening half-width [cm^-1.atm^-1] */
+  double gamma_self; /* Self broadening half-width [cm^-1.atm^-1] */
+  double lower_state_energy; /* [cm^-1] */
+  double n_air; /* Temperature-dependant exponent */
+  double delta_air; /* Air-pressure wavenumber shift [cm^-1.atm^-1] */
+
+  int32_t molecule_id;
+  int32_t isotope_id_local; /* This index starts from 0 */
 };
 #define SHITRAN_TRANSITION_NULL__ {0,0,0,0,0,0,0,-1,-1}
 static const struct shitran_transition SHITRAN_TRANSITION_NULL =
diff --git a/src/shitran_transitions.c b/src/shitran_transitions.c
@@ -115,22 +115,22 @@ parse_transition(struct shitran_transitions* transitions, struct txtrdr* txtrdr)
   } (void)0
 
   PARSE(&molecule_id, 2, int, "molecule identifier", 0,99,1,1);
-  tr.molecule_id = (int16_t)molecule_id;
+  tr.molecule_id = (int32_t)molecule_id;
 
   PARSE(&isotope_id_local, 1, int, "isotope local identifier", 0,9,1,1);
-  tr.isotope_id_local = (int16_t)
+  tr.isotope_id_local = (int32_t)
     (isotope_id_local == 0 ? 9 : (isotope_id_local - 1));
 
-  PARSE(&tr.wavenumber, 12, float, "central wavenumber", 0,INF,0,1);
-  PARSE(&tr.intensity, 10, float, "reference intensity", 0,INF,0,1);
+  PARSE(&tr.wavenumber, 12, double, "central wavenumber", 0,INF,0,1);
+  PARSE(&tr.intensity, 10, double, "reference intensity", 0,INF,0,1);
 
   NEXT(10); /* Skip the Enstein coef */
 
-  PARSE(&tr.gamma_air, 5, float, "air broadening half-width", 0,INF,0,1);
-  PARSE(&tr.gamma_self, 5, float, "self broadening half-width", 0,INF,0,1);
-  PARSE(&tr.lower_state_energy, 10, float, "lower state energy", 0,INF,0,1);
-  PARSE(&tr.n_air, 4, float, "temperature-dependent exponent", 0,INF,0,1);
-  PARSE(&tr.delta_air, 8, float, "air-pressure wavenumber shift", -INF,INF,1,1);
+  PARSE(&tr.gamma_air, 5, double, "air broadening half-width", 0,INF,0,1);
+  PARSE(&tr.gamma_self, 5, double, "self broadening half-width", 0,INF,0,1);
+  PARSE(&tr.lower_state_energy, 10, double, "lower state energy", 0,INF,0,1);
+  PARSE(&tr.n_air, 4, double, "temperature-dependent exponent", 0,INF,0,1);
+  PARSE(&tr.delta_air, 8, double, "air-pressure wavenumber shift", -INF,INF,1,1);
 
   /* Skip the remaining values */