Add a standard block ID for partial charges.

2 files changed, 6 insertions, 5 deletions

diff --git a/src/lib/tng_io.h b/src/lib/tng_io.h
index 9fa13b2..031ca65 100644
--- a/src/lib/tng_io.h
+++ b/src/lib/tng_io.h
@@ -287,12 +287,13 @@ typedef enum {TNG_GENERAL_INFO,
               TNG_TRAJECTORY_FRAME_SET,
               TNG_PARTICLE_MAPPING} tng_non_trajectory_block_ids;
 
-/** Block IDs of standard trajectory blocks. Box shape can be either a
- *  trajectory block or a non-trajectory block */
+/** Block IDs of standard trajectory blocks. Box shape and partial charges can
+ * be either trajectory blocks or non-trajectory blocks */
 typedef enum {TNG_TRAJ_BOX_SHAPE = 10000,
               TNG_TRAJ_POSITIONS,
               TNG_TRAJ_VELOCITIES,
-              TNG_TRAJ_FORCES} tng_trajectory_block_ids;
+              TNG_TRAJ_FORCES,
+              TNG_TRAJ_PARTIAL_CHARGES} tng_trajectory_block_ids;
               
 /** Flag to specify if a data block contains data related to particles or not.*/
 typedef enum {TNG_NON_PARTICLE_BLOCK_DATA,
diff --git a/src/tests/tng_io_testing.c b/src/tests/tng_io_testing.c
index 7b88a9f..07852eb 100644
--- a/src/tests/tng_io_testing.c
+++ b/src/tests/tng_io_testing.c
@@ -197,8 +197,8 @@ 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",
+    
+    stat = tng_particle_data_block_add(traj, TNG_TRAJ_PARTIAL_CHARGES, "PARTIAL CHARGES",
                                        TNG_FLOAT_DATA, TNG_NON_TRAJECTORY_BLOCK,
                                        1, 1, 1, 0, n_particles,
                                        TNG_UNCOMPRESSED, charges);