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| author | Ranke Johannes <johannes.ranke@agroscope.admin.ch> | 2024-08-05 18:41:45 +0200 |
|---|---|---|
| committer | Ranke Johannes <johannes.ranke@agroscope.admin.ch> | 2024-08-05 18:41:45 +0200 |
| commit | 1b58327278038a1111a88c521e6992c15e0b17ea (patch) | |
| tree | 8efca42ba93dbb1c214e45b38b44e5a669375ee7 /NEWS.md | |
| parent | 533570776daf567afa543fdfb19db2c8aa4616f8 (diff) | |
Set identifiers to NA if not initialized, add NEWS
Diffstat (limited to 'NEWS.md')
| -rw-r--r-- | NEWS.md | 4 |
1 files changed, 4 insertions, 0 deletions
@@ -0,0 +1,4 @@ +## version 0.3.6 + +- R/chent.R: Set the fields `smiles`, `inchikey` and `mw` to NA if these fields are still NULL at the end of the initialization, with `source` attribute set to "user", assuming that the initialisation was carefully done and `pubchem` and `rdkit` were skipped because the structure is not well-defined. + |