Write annotations block in test write/read.

1 files changed, 18 insertions, 5 deletions

diff --git a/src/tests/tng_io_testing.c b/src/tests/tng_io_testing.c
index 74e08f8..193e294 100644
--- a/src/tests/tng_io_testing.c
+++ b/src/tests/tng_io_testing.c
@@ -129,7 +129,7 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj)
     int64_t mapping[300], n_particles, n_frames_per_frame_set, tot_n_mols;
     int64_t frame_nr;
     double box_shape[9];
-    char atom_type[16];
+    char atom_type[16], annotation[128];
     tng_function_status stat;
 
     tng_medium_stride_length_set(traj, 10);
@@ -182,10 +182,11 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj)
         printf("Failed setting partial charges.\n");
         return(TNG_CRITICAL);
     }
-    /* There is no ID for partial charges data in the standard. Make an ID up. */
-    stat = tng_particle_data_block_add(traj, 10099, "PARTIAL CHARGES", TNG_FLOAT_DATA,
-                       TNG_NON_TRAJECTORY_BLOCK, 1, 1, 1, 0, n_particles,
-                       TNG_UNCOMPRESSED, charges);
+    /* There is no ID for partial charges data in the standard. Make an ID up.*/
+    stat = tng_particle_data_block_add(traj, 10099, "PARTIAL CHARGES",
+                                       TNG_FLOAT_DATA, TNG_NON_TRAJECTORY_BLOCK,
+                                       1, 1, 1, 0, n_particles,
+                                       TNG_UNCOMPRESSED, charges);
     free(charges);
     if(stat != TNG_SUCCESS)
     {
@@ -193,6 +194,18 @@ static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t traj)
         return(TNG_CRITICAL);
     }
 
+
+    /* Generate a custom annotation data block */
+    strcpy(annotation, "This trajectory was generated from tng_io_testing. "
+                       "It is not a real MD trajectory.");
+    if(tng_data_block_add(traj, 10100, "DETAILS", TNG_CHAR_DATA,
+                          TNG_NON_TRAJECTORY_BLOCK, 1, 1, 1, TNG_UNCOMPRESSED,
+                          annotation) != TNG_SUCCESS)
+    {
+        printf("Failed adding details annotation data block.\n");
+        return(TNG_CRITICAL);
+    }
+
     /* Write file headers (includes non trajectory data blocks */
     if(tng_file_headers_write(traj, TNG_USE_HASH) == TNG_CRITICAL)
     {