NEWS.md
In jranke/chents: Chemical Entities as R Objects
version 0.3.7
- R/chent.R: Do not attempt to load a chyaml file per default, as the format of such a file and the resulting chyaml list object is not documented and would need to be inferred from its use in the pfm package.
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.
Please refer to the ChangeLog for commit messages up to November 2021, where I changed the GNUmakefile not to include commit messages
in that file any more.
jranke/chents documentation built on Dec. 6, 2024, 10:55 p.m.
R Package Documentation
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Note that we can't provide technical support on individual packages. You should contact the package authors for that.
version 0.3.7
- R/chent.R: Do not attempt to load a chyaml file per default, as the format of such a file and the resulting chyaml list object is not documented and would need to be inferred from its use in the pfm package.
version 0.3.6
- R/chent.R: Set the fields
smiles,inchikeyandmwto NA if these fields are still NULL at the end of the initialization, withsourceattribute set to "user", assuming that the initialisation was carefully done andpubchemandrdkitwere skipped because the structure is not well-defined.
Please refer to the ChangeLog for commit messages up to November 2021, where I changed the GNUmakefile not to include commit messages in that file any more.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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