Discussion List Archives

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: The meaning pf "categories"? [Was: Re: Please advise regarding adesign of CIF dictionaries for material properties]

  • To: "Discussion list of the IUCr Committee for the Maintenance of the CIF Standard (COMCIFS)" <comcifs@iucr.org>
  • Subject: Re: The meaning pf "categories"? [Was: Re: Please advise regarding adesign of CIF dictionaries for material properties]
  • From: Nick Spadaccini <nick@csse.uwa.edu.au>
  • Date: Mon, 03 Oct 2011 11:04:19 +0800
  • In-Reply-To: <4E88711D.6010205@ibt.lt>
On 2/10/11 10:11 PM, "Saulius Grazulis" <grazulis@ibt.lt> wrote:

>> Again prop_ is a prefix, not something one would define as the category.
>> From the papers and the on-line information on CIF and DDL that are
> accessible to me, I have got an impression that the term "category" is
> used in two relatively unrelated meanings:
> a) DDL1 and increasingly DDLm use the "category" term to group related
> items into categories, so that their attribute descriptions must not be
> repeated. A category<->subcategory relation is then similar to a
> "class<->subclass" relation on OO programming languages; DDL2 uses
> "category group", "category" and "subcategory" terms for this. "parent"
> and "child" in this context describe superclass and subclass relations;

Originally DDL1 was a flat, no category structure, in much the same way as
you have been using it. Over time (and influenced by the mm community)
categories came in to it as a was of group data items which were related
together. To be honest apart from a convenience I am not sure how much
planning has gone in to DDL1 categories and how to use them. But they do
provide a very simple abstract model.

In DDLm we have developed a much more expansive syntax and semantics to the
language. A hierarchy of categories and sub-categories in the full sense of
building trees, encapsulation of data/definitions in to frames and nested
frames, keys both primary and foreign, automatic natural joins on
parent-child categories of a particular types etc. So there is a quite
abstract model that over lays DDLm, which can be mapped in to any concrete
model you want. A relation-model or a class/subclass OO model both naturally
fall out of a dictionary in DDLm.
> b) DDL2, by insisting on "category" <=> "single CIF loop_" equivalence
> supposes that a "category" is essentially a "single relational database
> table"; "parent" <-> "child" relations in this context are what the
> RDBMS people would call "primary key" <-> "foreign key relations". The
> terms "parent" and "child" might be unrelated to their usage in case a)
> Is that true - is my understanding correct? If not, may I please ask for
> some clarifications where I am wrong?
> If b) is the case, dose it mean that DDL2 dictionary becomes essentially
> a RDBMS scheme?

DDL2 IS a purely relational model in the RDBMS sense. This has always been
my difficulty with DDL2. There is no question it works well for mm people
and in particular the PDB. I have no complaints about what DDL2 is for that
community and the enormous contribution it makes to their function.

However it is a concrete (back end) model for implementation (relational
tables), that is constrained on the data representation at an
exchange/archive level. If you are not going to adopt a relational model for
implementation then DDL2 obfuscates what you need to represent.

A purely abstract model at the DDL level is needed if you are going to
require the seamless translation in to any number of possible concrete
back-end models.



Associate Professor N. Spadaccini, PhD.
Adjunct Research Fellow
The University of Western Australia
35 Stirling Highway
MBDP  M002

CRICOS Provider Code: 00126G

e: Nick.Spadaccini@uwa.edu.au

comcifs mailing list

Reply to: [list | sender only]
International Union of Crystallography

Scientific Union Member of the International Science Council (admitted 1947). Member of CODATA, the ISC Committee on Data. Partner with UNESCO, the United Nations Educational, Scientific and Cultural Organization in the International Year of Crystallography 2014.

International Science Council Scientific Freedom Policy

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.