diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/lib/tng_io.c | 9 |
1 files changed, 6 insertions, 3 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index d7c8b8b..0c72642 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -9716,6 +9716,9 @@ tng_function_status DECLSPECDLLEXPORT tng_implicit_num_particles_set printf("particle count.\n"); printf("TNG library: Cannot set implicit particle count. %s: %d\n", __FILE__, __LINE__); + /* FIXME: Should we set the count of all other molecules to 0 and add + * implicit molecules? */ + return(TNG_FAILURE); } if(diff > 0) @@ -9741,7 +9744,7 @@ tng_function_status DECLSPECDLLEXPORT tng_implicit_num_particles_set { return(stat); } - tng_residue_atom_add(tng_data, res, "", "", &atom); + stat = tng_residue_atom_add(tng_data, res, "", "", &atom); } else { @@ -9758,11 +9761,11 @@ tng_function_status DECLSPECDLLEXPORT tng_implicit_num_particles_set } diff /= mol->n_atoms; } - tng_molecule_cnt_set(tng_data, mol, diff); + stat = tng_molecule_cnt_set(tng_data, mol, diff); } } - return(TNG_SUCCESS); + return(stat); } tng_function_status DECLSPECDLLEXPORT tng_num_particles_get |