Discussion List Archives

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

Re: [ddlm-group] A modest addition to the DDLm spec. .

Dear Nic,

   If the spec is quoted string literal + quoted string litera;,
+4 is no problem, it is just +4.

   "breaking the underlying structure of a
> tag-value construct in the original STAR/CIF" is no more done
by this extension than it was by the bracketed constructs.

   Could we stick to the practical reality of:

   1.  Is this useful to a reasonable number of people? and
   2.  Does it break anything?

I believe the answers are yes and no.  Do you have any specific
evidence to the contrary?

   Regards,
     Herbert

=====================================================
  Herbert J. Bernstein, Professor of Computer Science
    Dowling College, Kramer Science Center, KSC 121
         Idle Hour Blvd, Oakdale, NY, 11769

                  +1-631-244-3035
                  yaya@dowling.edu
=====================================================

On Fri, 1 Oct 2010, Nick Spadaccini wrote:

> And there in lies the first incompatibility.
>
> _atom_site.charge +4
>
> Is not allowed. But -4 is.
>
> In all honesty I can't see how breaking the underlying structure of a
> tag-value construct in the original STAR/CIF in this way actually improves
> any backwards compatibility to CIF1 - which I must admit I don't see as such
> a high priority to warrant these machinations.
>
> With my usual disclaimer that these are comments only and IUCr and your
> group need to work out what you want CIF to be.
>
>
> On 1/10/10 1:16 AM, "Herbert J. Bernstein" <yaya@bernstein-plus-sons.com>
> wrote:
>
>> You must, of course, quote all pluses not being used as a
>> concatenation operator.
>>
>> =====================================================
>>   Herbert J. Bernstein, Professor of Computer Science
>>     Dowling College, Kramer Science Center, KSC 121
>>          Idle Hour Blvd, Oakdale, NY, 11769
>>
>>                   +1-631-244-3035
>>                   yaya@dowling.edu
>> =====================================================
>>
>> On Thu, 30 Sep 2010, Bollinger, John C wrote:
>>
>>> On Thursday, September 30, 2010 10:18 AM, SIMON WESTRIP wrote:
>>>
>>>> First thought is how does this work in loops?
>>>>
>>>> loop_ _item
>>>> 'abc' + 'def'
>>>
>>> One specific (but synthetic) example I was thinking of was along the same
>>> lines:
>>>
>>> loop_
>>> _amino_acid.code
>>> _amino_acid.optical_rotation_direction
>>> 'ALA' +
>>> 'ARG' +
>>> 'LEU' -
>>>
>>>> But I need to check whether + is one of the characters that is not allowed
>>>> to start a
>>>> non-delimited string...
>>>
>>> It is not.  Those are " ' _ $ [ {
>>> If the proposal is adopted then adding + to that list would reduce the added
>>> complications for parsing.  That would be incompatible with using the
>>> optional leading + with numeric values, however.
>>>
>>>> Otherwise I see no reason not to explore this.
>>>
>>> I see no reason at all not to explore it.  Notwithstanding the above, I have
>>> not yet formed an opinion on this question.
>>>
>>>
>>> Regards,
>>>
>>> John
>>> --
>>> John C. Bollinger, Ph.D.
>>> Department of Structural Biology
>>> St. Jude Children's Research Hospital
>>>
>>>
>>> Email Disclaimer:  www.stjude.org/emaildisclaimer
>>> _______________________________________________
>>> ddlm-group mailing list
>>> ddlm-group@iucr.org
>>> http://scripts.iucr.org/mailman/listinfo/ddlm-group
>>>
>> _______________________________________________
>> ddlm-group mailing list
>> ddlm-group@iucr.org
>> http://scripts.iucr.org/mailman/listinfo/ddlm-group
>
> cheers
>
> Nick
>
> --------------------------------
> Associate Professor N. Spadaccini, PhD
> School of Computer Science & Software Engineering
>
> The University of Western Australia    t: +61 (0)8 6488 3452
> 35 Stirling Highway                    f: +61 (0)8 6488 1089
> CRAWLEY, Perth,  WA  6009 AUSTRALIA   w3: www.csse.uwa.edu.au/~nick
> MBDP  M002
>
> CRICOS Provider Code: 00126G
>
> e: Nick.Spadaccini@uwa.edu.au
>
>
>
>
> _______________________________________________
> ddlm-group mailing list
> ddlm-group@iucr.org
> http://scripts.iucr.org/mailman/listinfo/ddlm-group
>
_______________________________________________
ddlm-group mailing list
ddlm-group@iucr.org
http://scripts.iucr.org/mailman/listinfo/ddlm-group

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.

Useful links