Search found 57 matches

by jcbollinger
Wed Sep 11, 2013 6:05 pm
Forum: CIF Application Programming Interface
Topic: Status update
Replies: 0
Views: 3124

Status update

I have completed initial implementation of the CIF formatter (function cif_write() in the API docs), and I am now working on the parser. A preliminary version of the scanner is in place, and the rest of the parser is roughed in, but there is still a lot of work to do. The decision to define CIF 2.0 ...
by jcbollinger
Thu Aug 08, 2013 8:53 pm
Forum: CIF dictionary namespace conventions
Topic: Mixed-discipline data CIFs
Replies: 10
Views: 14440

Re: Mixed-discipline data CIFs

So in practice Solution 4 should work as follows: Programmer A wishing to emit CIF data files that include moon surface temperatures from the 'astronomy' discipline together with (IUCr dataname) chemical structures found on that moon would create an adapter dictionary that e.g. prefixes all astrono...
by jcbollinger
Mon Jul 29, 2013 7:47 pm
Forum: CIF dictionary namespace conventions
Topic: Mixed-discipline data CIFs
Replies: 10
Views: 14440

Re: Mixed-discipline data CIFs

"Shortly" has become quite a lot longer than I intended, but here goes... The single problem presented by mixed-discipline CIFs is that of disambiguating potentially identical datanames. [...] Are there any other ideas? Let's discuss the pros and cons of the above solutions. Solution 4: ei...
by jcbollinger
Fri Jul 19, 2013 3:11 pm
Forum: CIF dictionary namespace conventions
Topic: Mixed-discipline data CIFs
Replies: 10
Views: 14440

Re: Mixed-discipline data CIFs

Failing to address this issue up front encourages idiosyncratic solutions to a common problem and multiplies the future software impact. Adopting one clean solution now will save us a headache in the future. I cannot support the current proposal with what is to me, an obvious, major gap. I can't ag...
by jcbollinger
Thu Jul 18, 2013 4:37 pm
Forum: CIF dictionary namespace conventions
Topic: Mixed-discipline data CIFs
Replies: 10
Views: 14440

Re: Mixed-discipline data CIFs

Surely the questions of whether or how to support mixed-domain CIFs are subordinate to the main thrust of the original proposal to establish a framework for multiple domains in the first place. I submit that if we see value in CIF being adopted outside the crystallography arena, then it behooves us ...
by jcbollinger
Mon Apr 01, 2013 6:24 pm
Forum: CIF Application Programming Interface
Topic: License
Replies: 0
Views: 3531

License

Inasmuch as there are about to be (more) artifacts emerging from this effort in which there exist intellectual property rights, this seems a good time to discuss licensing. I am working under the assumption that an open-source license of some flavor will be used, but that leaves a lot of latitude. I...
by jcbollinger
Wed Mar 27, 2013 9:58 pm
Forum: CIF Application Programming Interface
Topic: Draft API specification
Replies: 7
Views: 6969

Re: Draft API specification

I now have a full API spec and largely untested implementation for what I am calling the CIF API "core", which is basically everything related to manipulating an in-memory (or I am now preferring the term "managed") CIF. That excludes parsing, post-parse validation, and writing t...
by jcbollinger
Fri Feb 08, 2013 4:40 pm
Forum: CIF Application Programming Interface
Topic: Draft API specification
Replies: 7
Views: 6969

Re: Draft API specification

It may not be too late to tweak CIF2 as regards the minutae of case-insensitivity, if you can put forward a specific suggestion with justification. Herbert has always insisted on trying it out before setting it in stone. I'll work on that. Would it go to the DDLm working group or directly to COMCIF...
by jcbollinger
Thu Feb 07, 2013 5:36 pm
Forum: CIF Application Programming Interface
Topic: Draft API specification
Replies: 7
Views: 6969

Re: Draft API specification

I estimate that the storage and manipulation parts of my implementation are about 75% done, but I have done nothing with parsing or writing, and it's all essentially untested. Nevertheless, here's what I can say so far about my experiences in implementing it: As conventional wisdom regarding C would...
by jcbollinger
Tue Feb 05, 2013 3:26 pm
Forum: CIF Application Programming Interface
Topic: Draft API specification
Replies: 7
Views: 6969

Re: Draft API specification

It encourages me that the two API drafts are in fact very similar in general organization and approach, as well as in some of the design principles. Both feature opaque data structures representing the different kinds of objects in a CIF, with associated functions to interrogate and manipulate them....