Closed vaitkus closed 3 years ago
Be sure to check cif examples as well.
On Fri, Sep 24, 2021 at 5:09 AM Antanas Vaitkus @.***> wrote:
This PR changes data names to the forms that were agreed upon with the TOPOLOGY_CIF developers in an private e-mail exchange.
You can view, comment on, or merge this pull request online at:
https://github.com/COMCIFS/TopoCif/pull/56 Commit Summary
- Update the capitalisation of "d_size", "td10", "z_number" in data names. https://github.com/COMCIFS/TopoCif/pull/56/commits/83d62125366482320aadd1f648809ffff9e3bfeb
- Update the capitalisation of "IUPAC", "InChI" and "SMILES" in data https://github.com/COMCIFS/TopoCif/pull/56/commits/416b2ba7dcd925240e167bf222fde631e5e16321
- Lowercase save frame names as required by dictionary style rule 5.1. https://github.com/COMCIFS/TopoCif/pull/56/commits/e409a0118eaef7c5307d9e50174e60928711ded3
File Changes
- M Topology.dic https://github.com/COMCIFS/TopoCif/pull/56/files#diff-4a1be5a765d74539a14bb4e16a875e3382fa8ea8a2909c88081acc559bce8ade (82)
Patch Links:
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This PR changes data names to the forms that were agreed upon with the
TOPOLOGY_CIF
developers in an private e-mail exchange.