star-line

commit dc5fdc77a74f8f722d7daf81ad0af401e83b9dc0
parent 79226753f351fbe1536b06073c55ef254bd312a5
Author: Vincent Forest <vincent.forest@meso-star.com>
Date:   Wed,  4 Feb 2026 16:34:09 +0100

Test the mixture API

Diffstat:
M
.gitignore
 | 
1
+
M
Makefile
 | 
6
++++--
M
src/test_sln_mixture.c
 | 
272
+++++++++++++++++++++++++++++--------------------------------------------------

3 files changed, 105 insertions(+), 174 deletions(-)
diff --git a/.gitignore b/.gitignore
@@ -6,6 +6,7 @@
 *~
 .config
 .gitignore
+mixture.txt
 sln-build
 tags
 tags
diff --git a/Makefile b/Makefile
@@ -103,7 +103,7 @@ sln-build: config.mk sln-local.pc src/sln_build.o $(LIBNAME)
 	$(CC) $(CFLAGS_UTIL) -o $@ src/sln_build.o $(LDFLAGS_UTIL)
 
 $(UTIL_DEP): config.mk sln-local.pc
-	$(CC) $(CFLAGS_UTIL) -MM -MT "$(@:.d=.o) $@" $(@:.d=.c) -MF $@
+	@$(CC) $(CFLAGS_UTIL) -MM -MT "$(@:.d=.o) $@" $(@:.d=.c) -MF $@
 
 $(UTIL_OBJ): config.mk sln-local.pc
 	$(CC) $(CFLAGS_UTIL) -c $(@:.o=.c) -o $@
@@ -167,6 +167,7 @@ lint:
 TEST_SRC =\
  src/test_sln_device.c\
  src/test_sln_mesh.c\
+ src/test_sln_mixture.c\
  src/test_sln_tree.c
 TEST_OBJ = $(TEST_SRC:.c=.o)
 TEST_DEP = $(TEST_SRC:.c=.d)
@@ -199,12 +200,13 @@ $(TEST_OBJ): config.mk sln-local.pc
 
 test_sln_device \
 test_sln_mesh \
+test_sln_mixture \
 test_sln_tree \
 : config.mk sln-local.pc $(LIBNAME)
 	$(CC) $(CFLAGS_TEST) -o $@ src/$@.o $(LDFLAGS_TEST)
 
 clean_test:
-	rm -f $(TEST_DEP) $(TEST_OBJ) $(TEST_TGT)
+	rm -f $(TEST_DEP) $(TEST_OBJ) $(TEST_TGT) mixture.txt
 	for i in $(TEST_SRC); do rm -f "$$(basename "$${i}" ".c")"; done
 
 test: tests
diff --git a/src/test_sln_mixture.c b/src/test_sln_mixture.c
@@ -27,219 +27,147 @@
  * Helper function
  ******************************************************************************/
 static void
-test_mixture
+test_api
   (struct sln_device* sln,
-   struct shtr_isotope_metadata* metadata,
-   struct shtr_line_list* line_list)
+   struct shtr_isotope_metadata* molparam)
 {
-  struct sln_mixture_create_args mixture_args = SLN_MIXTURE_CREATE_ARGS_DEFAULT;
-  struct sln_mixture_desc desc = SLN_MIXTURE_DESC_NULL;
+  struct sln_mixture_load_args args = SLN_MIXTURE_LOAD_ARGS_NULL;
   struct sln_mixture* mixture = NULL;
-  size_t nlines = 0;
-
-  mixture_args.metadata = metadata;
-  mixture_args.lines = line_list;
-  mixture_args.molecules[0].nisotopes = 0; /* Handle all isotopes */
-  mixture_args.molecules[0].concentration = 1.0/3.0;
-  mixture_args.molecules[0].cutoff = 25;
-  mixture_args.molecules[0].id = 1; /* H2O */
-  mixture_args.molecules[1].nisotopes = 0; /* Handle all isotopes */
-  mixture_args.molecules[1].concentration = 1.0/3.0;
-  mixture_args.molecules[1].cutoff = 50;
-  mixture_args.molecules[1].id = 2; /* CO2 */
-  mixture_args.molecules[2].nisotopes = 0; /* Handle all isotopes */
-  mixture_args.molecules[2].concentration = 1.0/3.0;
-  mixture_args.molecules[2].cutoff = 25;
-  mixture_args.molecules[2].id = 3; /* O3 */
-  mixture_args.nmolecules = 3;
-  mixture_args.wavenumber_range[0] = 0;
-  mixture_args.wavenumber_range[1] = INF;
-  mixture_args.pressure = 1;
-  mixture_args.temperature = 296;
-  CHK(sln_mixture_create(NULL, &mixture_args, &mixture) == RES_BAD_ARG);
-  CHK(sln_mixture_create(sln, NULL, &mixture) == RES_BAD_ARG);
-  CHK(sln_mixture_create(sln, NULL, NULL) == RES_BAD_ARG);
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_OK);
-
-  CHK(sln_mixture_get_desc(NULL, &desc) == RES_BAD_ARG);
-  CHK(sln_mixture_get_desc(mixture, NULL) == RES_BAD_ARG);
-  CHK(sln_mixture_get_desc(mixture, &desc) == RES_OK);
-
-  CHK(shtr_line_list_get_size(line_list, &nlines) == RES_OK);
-
-  CHK(desc.wavenumber_range[0] == mixture_args.wavenumber_range[0]);
-  CHK(desc.wavenumber_range[1] == mixture_args.wavenumber_range[1]);
-  CHK(desc.temperature = mixture_args.temperature);
-  CHK(desc.pressure == mixture_args.pressure);
-  CHK(desc.nlines == nlines); /* All the lines are taken into the count */
-
-  CHK(sln_mixture_ref_get(NULL) == RES_BAD_ARG);
-  CHK(sln_mixture_ref_get(mixture) == RES_OK);
-  CHK(sln_mixture_ref_put(NULL) == RES_BAD_ARG);
-  CHK(sln_mixture_ref_put(mixture) == RES_OK);
-  CHK(sln_mixture_ref_put(mixture) == RES_OK);
-
-  mixture_args.metadata = NULL;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
-
-  mixture_args.metadata = metadata;
-  mixture_args.lines = NULL;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
+  struct sln_molecule molecule = SLN_MOLECULE_NULL;
+
+  const struct sln_isotope H2O_isotopes[] = {
+    {2.41974E-08, 161},
+    {1.15853E-07, 181},
+    {6.23003E-07, 171},
+    {3.10693E-04, 162},
+    {3.71884E-04, 182},
+    {1.99983E-03, 172},
+    {9.97317E-01, 262}
+  };
+  const size_t H2O_nisotopes = sizeof(H2O_isotopes)/sizeof(H2O_isotopes[0]);
+
+  const char* filename = "mixture.txt";
+  FILE* fp = NULL;
+  size_t i = 0;
 
-  mixture_args.metadata = metadata;
-  mixture_args.lines = NULL;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
+  CHK(fp = fopen(filename, "w+"));
 
-  mixture_args.lines = line_list;
-  mixture_args.molecules[0].concentration = 1;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
+  fprintf(fp, "# Molecule concentration cutoff [cm-1]\n");
+  fprintf(fp, "  H2O      0.3           25\n");
+  fprintf(fp, "# Isotopes abundance\n");
+  FOR_EACH(i, 0, H2O_nisotopes) {
+    fprintf(fp, "%d %E\n", H2O_isotopes[i].id, H2O_isotopes[i].abundance);
+  }
 
-  mixture_args.molecules[0].concentration = -1;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
+  fprintf(fp, "# Molecule concentration cutoff [cm-1]\n");
+  fprintf(fp, "  CO2      0.7           50\n");
 
-  mixture_args.molecules[0].concentration = 1.0/3.0;
-  mixture_args.molecules[0].cutoff = 0;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
+  rewind(fp);
 
-  mixture_args.molecules[0].cutoff = 25;
-  mixture_args.pressure = -1;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
+  args.filename = filename;
+  args.molparam = molparam;
+  CHK(sln_mixture_load(NULL, &args, &mixture) == RES_BAD_ARG);
+  CHK(sln_mixture_load(sln, NULL, &mixture) == RES_BAD_ARG);
+  CHK(sln_mixture_load(sln, &args, NULL) == RES_BAD_ARG);
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_OK);
+
+  CHK(sln_mixture_get_molecule_count(mixture) == 2);
+  CHK(sln_mixture_get_molecule_id(mixture, 0) == SHTR_H2O);
+  CHK(sln_mixture_get_molecule_id(mixture, 1) == SHTR_CO2);
+
+  CHK(sln_mixture_get_molecule(NULL, 0, &molecule) == RES_BAD_ARG);
+  CHK(sln_mixture_get_molecule(mixture, -1, &molecule) == RES_BAD_ARG);
+  CHK(sln_mixture_get_molecule(mixture, 2, &molecule) == RES_BAD_ARG);
+  CHK(sln_mixture_get_molecule(mixture, 0, NULL) == RES_BAD_ARG);
+
+  /* Check the H2O molecule */
+  CHK(sln_mixture_get_molecule(mixture, 0, &molecule) == RES_OK);
+  CHK(molecule.concentration == 0.3);
+  CHK(molecule.cutoff == 25.0);
+  CHK(molecule.non_default_isotope_abundances != 0);
+  FOR_EACH(i, 0, H2O_nisotopes) {
+    CHK(molecule.isotopes[i].id == H2O_isotopes[i].id);
+    CHK(molecule.isotopes[i].abundance == H2O_isotopes[i].abundance);
+  }
+
+  /* Check the CO2 molecule */
+  CHK(sln_mixture_get_molecule(mixture, 1, &molecule) == RES_OK);
+  CHK(molecule.concentration == 0.7);
+  CHK(molecule.cutoff == 50);
+  CHK(molecule.non_default_isotope_abundances == 0);
 
-  mixture_args.pressure = 1;
-  mixture_args.temperature = -1;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
-  mixture_args.temperature = 296;
+  CHK(sln_mixture_ref_get(NULL) == RES_BAD_ARG);
+  CHK(sln_mixture_ref_get(mixture) == RES_OK);
+  CHK(sln_mixture_ref_put(NULL) == RES_BAD_ARG);
+  CHK(sln_mixture_ref_put(mixture) == RES_OK);
+  CHK(sln_mixture_ref_put(mixture) == RES_OK);
 
-  mixture_args.molecules[0].nisotopes = 2;
-  mixture_args.molecules[0].isotopes[0].abundance = 0.6;
-  mixture_args.molecules[0].isotopes[0].id_local = 0;
-  mixture_args.molecules[0].isotopes[1].abundance = 0.5;
-  mixture_args.molecules[0].isotopes[1].id_local = 1;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
-  mixture_args.molecules[0].isotopes[0].abundance = 0.5;
+  /* Check load from stream */
+  args.file = fp;
+  CHK(sln_mixture_load(sln, &args, &mixture) == RES_OK);
+
+  CHK(sln_mixture_get_molecule_id(mixture, 0) == SHTR_H2O);
+  CHK(sln_mixture_get_molecule(mixture, 0, &molecule) == RES_OK);
+  CHK(molecule.concentration == 0.3);
+  CHK(molecule.cutoff == 25.0);
+  CHK(molecule.non_default_isotope_abundances != 0);
+  CHK(sln_mixture_get_molecule_id(mixture, 1) == SHTR_CO2);
+  CHK(sln_mixture_get_molecule(mixture, 1, &molecule) == RES_OK);
+  CHK(molecule.concentration == 0.7);
+  CHK(molecule.cutoff == 50);
+  CHK(molecule.non_default_isotope_abundances == 0);
 
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_OK);
   CHK(sln_mixture_ref_put(mixture) == RES_OK);
 
-  mixture_args.molecules[0].id = SLN_MAX_MOLECULES_COUNT;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
-  mixture_args.molecules[0].id = 1;
-  mixture_args.molecules[0].isotopes[0].id_local = SLN_MAX_ISOTOPES_COUNT;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture) == RES_BAD_ARG);
+  CHK(fclose(fp) == 0);
 }
 
-static void
-test_mixture_serialization
-  (struct sln_device* sln,
-   struct shtr* shtr,
-   struct shtr_isotope_metadata* metadata,
-   struct shtr_line_list* line_list)
+static struct shtr_isotope_metadata*
+load_isotope_metadata(struct shtr* shtr)
 {
-  struct sln_mixture_create_args mixture_args = SLN_MIXTURE_CREATE_ARGS_DEFAULT;
-  struct sln_mixture_desc desc1 = SLN_MIXTURE_DESC_NULL;
-  struct sln_mixture_desc desc2 = SLN_MIXTURE_DESC_NULL;
-  struct sln_mixture* mixture1 = NULL;
-  struct sln_mixture* mixture2 = NULL;
+  struct shtr_isotope_metadata* molparam = NULL;
   FILE* fp = NULL;
 
-  mixture_args.metadata = metadata;
-  mixture_args.lines = line_list;
-  mixture_args.molecules[0].nisotopes = 0; /* Handle all isotopes */
-  mixture_args.molecules[0].concentration = 1.0/3.0;
-  mixture_args.molecules[0].cutoff = 25;
-  mixture_args.molecules[0].id = 1; /* H2O */
-  mixture_args.molecules[1].nisotopes = 0; /* Handle all isotopes */
-  mixture_args.molecules[1].concentration = 1.0/3.0;
-  mixture_args.molecules[1].cutoff = 50;
-  mixture_args.molecules[1].id = 2; /* CO2 */
-  mixture_args.molecules[2].nisotopes = 0; /* Handle all isotopes */
-  mixture_args.molecules[2].concentration = 1.0/3.0;
-  mixture_args.molecules[2].cutoff = 25;
-  mixture_args.molecules[2].id = 3; /* O3 */
-  mixture_args.nmolecules = 3;
-  mixture_args.wavenumber_range[0] = 0;
-  mixture_args.wavenumber_range[1] = INF;
-  mixture_args.pressure = 1;
-  mixture_args.temperature = 296;
-  CHK(sln_mixture_create(sln, &mixture_args, &mixture1) == RES_OK);
-
   CHK(fp = tmpfile());
-  CHK(sln_mixture_write(NULL, fp) == RES_BAD_ARG);
-  CHK(sln_mixture_write(mixture1, NULL) == RES_BAD_ARG);
-  CHK(sln_mixture_write(mixture1, fp) == RES_OK);
-  rewind(fp);
-
-  CHK(sln_mixture_create_from_stream(NULL, shtr, fp, &mixture2) == RES_BAD_ARG);
-  CHK(sln_mixture_create_from_stream(sln, NULL, fp, &mixture2) == RES_BAD_ARG);
-  CHK(sln_mixture_create_from_stream(sln, shtr, NULL, &mixture2) == RES_BAD_ARG);
-  CHK(sln_mixture_create_from_stream(sln, shtr, fp, NULL) == RES_BAD_ARG);
-  CHK(sln_mixture_create_from_stream(sln, shtr, fp, &mixture2) == RES_OK);
-  fclose(fp);
 
-  CHK(sln_mixture_get_desc(mixture1, &desc1) == RES_OK);
-  CHK(sln_mixture_get_desc(mixture2, &desc2) == RES_OK);
+  fprintf(fp, "Molecule # Iso Abundance Q(296K) gj Molar Mass(g)\n");
 
-  CHK(desc1.wavenumber_range[0] == desc2.wavenumber_range[0]);
-  CHK(desc1.wavenumber_range[1] == desc2.wavenumber_range[1]);
-  CHK(desc1.pressure == desc2.pressure);
-  CHK(desc1.temperature == desc2.temperature);
-  CHK(desc1.nlines == desc2.nlines);
+  write_shtr_molecule(fp, &g_H2O);
+  write_shtr_molecule(fp, &g_CO2);
+  write_shtr_molecule(fp, &g_O3);
 
-  CHK(sln_mixture_ref_put(mixture1) == RES_OK);
-  CHK(sln_mixture_ref_put(mixture2) == RES_OK);
+  rewind(fp);
+  CHK(shtr_isotope_metadata_load_stream(shtr, fp, NULL, &molparam) == RES_OK);
+  CHK(fclose(fp) == 0);
+  return molparam;
 }
 
 /*******************************************************************************
  * Test function
  ******************************************************************************/
 int
-main(int argc, char** argv)
+main(void)
 {
-  struct sln_device_create_args dev_args = SLN_DEVICE_CREATE_ARGS_DEFAULT;
-
+  struct sln_device_create_args sln_args = SLN_DEVICE_CREATE_ARGS_DEFAULT;
   struct sln_device* sln = NULL;
 
   struct shtr_create_args shtr_args = SHTR_CREATE_ARGS_DEFAULT;
   struct shtr* shtr = NULL;
-  struct shtr_line_list* line_list = NULL;
-  struct shtr_isotope_metadata* metadata = NULL;
-
-  FILE* fp_lines = NULL;
-  FILE* fp_mdata = NULL;
-  (void)argc, (void)argv;
-
-  /* Generate the file of the isotope metadata */
-  CHK(fp_mdata = tmpfile());
-  fprintf(fp_mdata, "Molecule # Iso Abundance Q(296K) gj Molar Mass(g)\n");
-  write_shtr_molecule(fp_mdata, &g_H2O);
-  write_shtr_molecule(fp_mdata, &g_CO2);
-  write_shtr_molecule(fp_mdata, &g_O3);
-  rewind(fp_mdata);
-
-  /* Generate the file of lines */
-  CHK(fp_lines = tmpfile());
-  write_shtr_lines(fp_lines, g_lines, g_nlines);
-  rewind(fp_lines);
-
-  /* Load the isotope metadata and the lines */
+  struct shtr_isotope_metadata* molparam = NULL;
+
   shtr_args.verbose = 1;
   CHK(shtr_create(&shtr_args, &shtr) == RES_OK);
-  CHK(shtr_isotope_metadata_load_stream(shtr, fp_mdata, NULL, &metadata) == RES_OK);
-  CHK(shtr_line_list_load_stream(shtr, fp_lines, NULL, &line_list) == RES_OK);
 
-  CHK(fclose(fp_lines) == 0);
-  CHK(fclose(fp_mdata) == 0);
+  sln_args.verbose = 1;
+  CHK(sln_device_create(&sln_args, &sln) == RES_OK);
 
-  dev_args.verbose = 1;
-  CHK(sln_device_create(&dev_args, &sln) == RES_OK);
+  molparam = load_isotope_metadata(shtr);
 
-  test_mixture(sln, metadata, line_list);
-  test_mixture_serialization(sln, shtr, metadata, line_list);
+  test_api(sln, molparam);
 
   CHK(sln_device_ref_put(sln) == RES_OK);
   CHK(shtr_ref_put(shtr) == RES_OK);
-  CHK(shtr_line_list_ref_put(line_list) == RES_OK);
-  CHK(shtr_isotope_metadata_ref_put(metadata) == RES_OK);
+  CHK(shtr_isotope_metadata_ref_put(molparam) == RES_OK);
   CHK(mem_allocated_size() == 0);
   return 0;
 }