diff options
author | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-11-14 09:59:30 (GMT) |
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committer | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-11-14 09:59:30 (GMT) |
commit | 746d750f60a96823acf36c56eb1d7ff0fcc31594 (patch) | |
tree | 7ba07a2071dafcd5b1d216f965beee8e572b20af /src | |
parent | 8f41d618d43d312a5cea5c14044b0bcab86f8037 (diff) |
Minor fixes in tng_implicit_num_particles_set().
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 |