star-line

commit ed53868fa7436745e98c0f75c49a712ae33b91fd
parent fd538198f530fa3222ab56ede755d826ef931dd7
Author: Vincent Forest <vincent.forest@meso-star.com>
Date:   Wed,  4 May 2022 12:44:06 +0200

Handle errors returned by partition function calculation

Diffstat:
M
src/sln_line.c
 | 
37
+++++++++++++++++++++++++++++++------
M
src/sln_line.h
 | 
2
+-
M
src/sln_tree.c
 | 
3
++-

3 files changed, 34 insertions(+), 8 deletions(-)
diff --git a/src/sln_line.c b/src/sln_line.c
@@ -62,10 +62,11 @@ line_intensity
   return intensity_ref * partition_function * tmp * fol ;
 }
 
-static double
+static res_T
 line_profile_factor
   (const struct sln_tree* tree,
-   const struct shtr_line* shtr_line)
+   const struct shtr_line* shtr_line,
+   double* out_profile_factor)
 {
   /* Star-HITRAN data */
   struct shtr_molecule molecule = SHTR_MOLECULE_NULL;
@@ -85,7 +86,9 @@ line_profile_factor
   double T; /* Temperature */
   int molid; /* Molecule id */
   int isoid; /* Isotope id local to its molecule */
-  ASSERT(tree);
+
+  res_T res = RES_OK;
+  ASSERT(tree && shtr_line && out_profile_factor);
 
   /* Fetch the molecule data */
   mol_params = tree_get_molecule_params(tree, shtr_line->molecule_id);
@@ -109,6 +112,14 @@ line_profile_factor
   isoid = shtr_line->isotope_id_local;
   T = tree->temperature;
   BD_TIPS_2017(&molid, &T, &isoid, &gj, &Q_T);
+  if(Q_T <= 0) {
+    log_err(tree->sln,
+      "molecule %d: isotope %d: invalid partition function at T=%g\n",
+      molid, isoid, T);
+    res = RES_BAD_ARG;
+    goto error;
+  }
+
   Q = Q_Tref/Q_T;
 
   /* Compute the intensity */
@@ -119,7 +130,13 @@ line_profile_factor
     tree->temperature, T_REF, nu_c);
 
   profile_factor = 1.e2 * density * intensity; /* In m^-1.cm^-1 */
-  return profile_factor;
+
+exit:
+  *out_profile_factor = profile_factor;
+  return res;
+error:
+  profile_factor = NaN;
+  goto exit;
 }
 
 /* Regularly mesh the interval [wavenumber, wavenumber+spectral_length[. Note
@@ -242,7 +259,7 @@ error:
 /*******************************************************************************
  * Local function
  ******************************************************************************/
-void
+res_T
 line_setup(struct sln_tree* tree, const size_t iline)
 {
   struct shtr_molecule molecule = SHTR_MOLECULE_NULL;
@@ -250,6 +267,7 @@ line_setup(struct sln_tree* tree, const size_t iline)
   struct line* line = NULL;
   double molar_mass = 0; /* In kg.mol^-1 */
   const struct molecule_params* mol_params = NULL;
+  res_T res = RES_OK;
   ASSERT(tree && iline < darray_line_size_get(&tree->lines));
 
   line = darray_line_data_get(&tree->lines) + iline;
@@ -265,12 +283,19 @@ line_setup(struct sln_tree* tree, const size_t iline)
   molar_mass = molecule.isotopes[shtr_line->isotope_id_local].molar_mass*1e-3;
 
   /* Setup the line */
+  res = line_profile_factor(tree, shtr_line, &line->profile_factor);
+  if(res != RES_OK) goto error;
+
   line->wavenumber = line_center(shtr_line, tree->pressure);
-  line->profile_factor = line_profile_factor(tree, shtr_line);
   line->gamma_d = sln_compute_line_half_width_doppler
     (line->wavenumber, molar_mass, tree->temperature);
   line->gamma_l = sln_compute_line_half_width_lorentz(shtr_line->gamma_air,
     shtr_line->gamma_self, tree->pressure, mol_params->concentration);
+
+exit:
+  return res;
+error:
+  goto exit;
 }
 
 double
diff --git a/src/sln_line.h b/src/sln_line.h
@@ -42,7 +42,7 @@ line_center
   return line->wavenumber + line->delta_air * pressure;
 }
 
-extern LOCAL_SYM void
+extern LOCAL_SYM res_T
 line_setup
   (struct sln_tree* tree,
    const size_t iline);
diff --git a/src/sln_tree.c b/src/sln_tree.c
@@ -327,7 +327,8 @@ setup_lines(struct sln_tree* tree, const char* caller)
   }
 
   FOR_EACH(iline, 0, nlines) {
-    line_setup(tree, iline);
+    res = line_setup(tree, iline);
+    if(res != RES_OK) goto error;
   }
 
 exit: