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Re: Release of the cif_core_restraints dictionary and superscriptmark up


Thanks for this, and for the off-list copy you sent with amendments. The
archive version at ftp.iucr.org has now been replaced with this. On this
occasion I have not bumped the minor version number or release date, since
there is no substantial difference from the previous version, though I'll
be happy to revisit this if people think that this will cause genuine


On Thu, May 26, 2011 at 10:01:29AM +0100, Matthew Towler wrote:
> All,
> I have recently downloaded the latest versions of the CIF 1.1 compatible dictionaries from the IUCr FTP site, and have found a some fairly trivial issues with the restraints dictionary.  My intent being to include the restraints dictionary in a future release from the CCDC.
> Firstly I wanted to double check whether the restraints dictionary was in a final enough state to be generally released?  It looks as if it is but I missed the earlier discussions on this and wanted to make sure.
> My main point is that when loading the dictionary into enCIFer I get the following warnings.  These are due to equations in various descriptions containing text of the form "w = A*(B/D)^C + E*exp((D-F)/G)".  The trivial fix for this is to change the equations to use a double ^^ for indicating a raising to the power.  An alternative and potentially better fix would be to use ^C^ which would mean it should be correctly displayed as a superscript in an editor, though may be confusing for those reading in a plain text editor.  I can supply an updated version with the necessary edits if this would be helpful.
> Matthew
> Warning: Line 502 : Data value contains mismatched superscript markup (^) : _definition
> Warning: Line 544 : Data value contains mismatched superscript markup (^) : _definition
> Warning: Line 570 : Data value contains mismatched superscript markup (^) : _definition
> Warning: Line 636 : Data value contains mismatched superscript markup (^) : _definition
> Warning: Line 665 : Data value contains mismatched superscript markup (^) : _definition
> Warning: Line 693 : Data value contains mismatched superscript markup (^) : _definition
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