diff options
| -rw-r--r-- | include/tng_io.h | 6 | ||||
| -rw-r--r-- | src/lib/tng_io.c | 10 |
2 files changed, 8 insertions, 8 deletions
diff --git a/include/tng_io.h b/include/tng_io.h index c6c961d..f6eb637 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -2705,8 +2705,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecules_get int64_t **molecule_cnt_list, tng_molecule_t **mols); - -/** +/* * @brief High-level function for adding a molecule to the mol system. * @param tng_data is the trajectory containing the mol system. * @param name is the name of the molecule to add. @@ -2718,11 +2717,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecules_get * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occured or TNG_CRITICAL (2) if a major error has occured. */ -tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecule_add +/*tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecule_add (tng_trajectory_t tng_data, const char *name, const int64_t cnt, tng_molecule_t *mol); +*/ /* // tng_function_status DECLSPECDLLEXPORT tng_util_molecule_particles_get // (tng_trajectory_t tng_data, diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index 62883ca..386da35 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -9726,10 +9726,9 @@ tng_function_status DECLSPECDLLEXPORT tng_implicit_num_particles_set stat = tng_molecule_find(tng_data, "TNG_IMPLICIT_MOL", -1, &mol); if(stat != TNG_SUCCESS) { - stat = tng_util_trajectory_molecule_add(tng_data, - "TNG_IMPLICIT_MOL", - diff, - &mol); + stat = tng_molecule_add(tng_data, + "TNG_IMPLICIT_MOL", + &mol); if(stat != TNG_SUCCESS) { return(stat); @@ -14461,6 +14460,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecules_get return(TNG_SUCCESS); } +/* tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecule_add (tng_trajectory_t tng_data, const char *name, @@ -14481,7 +14481,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecule_add return(stat); } - +*/ tng_function_status DECLSPECDLLEXPORT tng_util_molecule_particles_get (tng_trajectory_t tng_data, const tng_molecule_t mol, |