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commit 01d181392ad464a22a1270c1d8a296a2ce0457bb
parent 8a53e62700c906ef970742a29fd16aaef8930cda
Author: Vincent Forest <vincent.forest@meso-star.com>
Date:   Wed,  4 Feb 2026 18:00:49 +0100

Test how loading reacts with invalid molecule definitions

Diffstat:
M
src/test_sln_mixture.c
 | 
107
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++--

1 file changed, 105 insertions(+), 2 deletions(-)
diff --git a/src/test_sln_mixture.c b/src/test_sln_mixture.c
@@ -16,6 +16,8 @@
  * You should have received a copy of the GNU General Public License
  * along with this program. If not, see <http://www.gnu.org/licenses/>. */
 
+#define _POSIX_C_SOURCE 200809L /* fmemopen */
+
 #include "test_sln_lines.h"
 #include "sln.h"
 
@@ -23,6 +25,9 @@
 #include <rsys/math.h>
 #include <rsys/mem_allocator.h>
 
+#include <stdio.h>
+#include <string.h>
+
 /*******************************************************************************
  * Helper function
  ******************************************************************************/
@@ -122,6 +127,103 @@ test_api
   CHK(fclose(fp) == 0);
 }
 
+static void
+test_invalid_molecule
+  (struct sln_device* sln,
+   struct shtr_isotope_metadata* molparam)
+{
+  struct sln_mixture_load_args args = SLN_MIXTURE_LOAD_ARGS_NULL;
+  struct sln_mixture* mixture = NULL;
+
+  char buf[1024] = {0};
+  FILE* fp;
+
+
+  /* Note that the comment char will be added as the last character written to
+   * the file in order to fill the rest of the file with a comment */
+  CHK(fp = fmemopen(buf, sizeof(buf), "w+"));
+
+  args.filename = "memstream";
+  args.molparam = molparam;
+  args.file = fp;
+
+  #define RESET { memset(buf, 0, sizeof(buf)); rewind(fp); } (void)0
+
+  /* Name is missing */
+  RESET;
+  fprintf(fp, "0.3 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Name is invalid */
+  RESET;
+  fprintf(fp, "Water 0.3 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Name is valid but is not in the isotope metadata */
+  RESET;
+  fprintf(fp, "O2 0.1 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Definition of duplicate molecule */
+  RESET;
+  fprintf(fp, "H2O 0.3 25\n");
+  fprintf(fp, "H2O 0.1 50\n");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Concentration is missing */
+  RESET;
+  fprintf(fp, "H2O 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Invalid concentration */
+  RESET;
+  fprintf(fp, "H2O -0.1 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+  RESET;
+  fprintf(fp, "H2O  1.1 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Missing cutoff */
+  RESET;
+  fprintf(fp, "H2O 0.3\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Invalid cutoff */
+  RESET;
+  fprintf(fp, "H2O 0.3 0\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* Invalid overall cocentration */
+  RESET;
+  fprintf(fp, "H2O 0.3 25\n");
+  fprintf(fp, "CO2 0.7 50\n");
+  fprintf(fp, "O3  0.1 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_BAD_ARG);
+
+  /* An overall concentration < 1 is valid */
+  RESET;
+  fprintf(fp, "H2O 0.2 25\n");
+  fprintf(fp, "CO2 0.3 50\n");
+  fprintf(fp, "O3  0.4 25\n#");
+  rewind(fp);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_OK);
+  CHK(sln_mixture_ref_put(mixture) == RES_OK);
+
+  #undef RESET
+
+  CHK(fclose(fp) == 0);
+}
+
 static struct shtr_isotope_metadata*
 load_isotope_metadata(struct shtr* shtr)
 {
@@ -155,15 +257,16 @@ main(void)
   struct shtr* shtr = NULL;
   struct shtr_isotope_metadata* molparam = NULL;
 
-  shtr_args.verbose = 1;
+  shtr_args.verbose = 3;
   CHK(shtr_create(&shtr_args, &shtr) == RES_OK);
 
-  sln_args.verbose = 1;
+  sln_args.verbose = 3;
   CHK(sln_device_create(&sln_args, &sln) == RES_OK);
 
   molparam = load_isotope_metadata(shtr);
 
   test_api(sln, molparam);
+  test_invalid_molecule(sln, molparam);
 
   CHK(sln_device_ref_put(sln) == RES_OK);
   CHK(shtr_ref_put(shtr) == RES_OK);