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Re: Please advise regarding a design of CIF dictionaries for materialproperties
- To: "Discussion list of the IUCr Committee for the Maintenance of the CIFStandard (COMCIFS)" <comcifs@iucr.org>
- Subject: Re: Please advise regarding a design of CIF dictionaries for materialproperties
- From: Saulius Grazulis <grazulis@ibt.lt>
- Date: Thu, 29 Sep 2011 20:57:38 +0300
- In-Reply-To: <8F77913624F7524AACD2A92EAF3BFA544E9140BBA2@11.stjude.org>
- References: <4E832F86.6080805@ibt.lt><4E834642.1020203@mcmaster.ca> <4E84394D.9040807@ibt.lt><8F77913624F7524AACD2A92EAF3BFA544E9140BBA2@11.stjude.org>
Dear John, many thanks for your clarifications. I will take them into account designing the dictionary. Bollinger, John C wrote: >> c) seems the cleanest solution form, but this depends on my >> interpretations of the CIF grammar, semantics and of the ITC vol G. > > And that's precisely why (c) is a sub-optimal choice. You should not > be approaching the issue from the perspective of whether your > proposed form squeezes within the letter of the specs, or whether you > can bend specifications and convention to fit your dictionary. If > you want your dictionary to be friendly to third-party software and > easy eventually to convert to DDLm then you should cleave as closely > as possible to center of the specifications, as clarified by common > and conventional practice. Please assured that it was definitely not my intention to "bend" any specifications. I just want to find out how they are interpreted. And I have an idea that it would probably be beneficial for CIF users and programmers if CIF semantical features (such as datablock name<->declared data name match in dictionaries) were designated as "required", "recommended" or "optional", a-la RFC 2119; IMHO this would make it easier to build interoperable software. And I guess COMCIFS is the very best place to work out such designations :). Sincerely yours, Saulius -- Dr. Saulius Gražulis Institute of Biotechnology, Graiciuno 8 LT-02241 Vilnius, Lietuva (Lithuania) fax: (+370-5)-2602116 / phone (office): (+370-5)-2602556 mobile: (+370-684)-49802, (+370-614)-36366
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- Please advise regarding a design of CIF dictionaries for materialproperties (Saulius Grazulis)
- Re: Please advise regarding a design of CIF dictionaries for materialproperties (David Brown)
- Re: Please advise regarding a design of CIF dictionaries for materialproperties (Saulius Grazulis)
- RE: Please advise regarding a design of CIF dictionaries for materialproperties. . (Bollinger, John C)
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