Eleanor
Maybe the interpreter should at least throw an error if it encounters
a character (such as a bracket) that it can't interpret, as Jens
implied.
Cheers
-- Ian
On 31 January 2012 10:16, Eleanor Dodson <[log in to unmask]> wrote:
> Sorry, but it is a pain writing interpreters - at least it was in Fortran!
> and once you have one which recognises slashes as divisors, brackets can
> seem a step too far!
>
> Eleanor
>
>
> On 01/31/2012 08:46 AM, Phil Evans wrote:
>>
>> I had hoped that Pointless could replace Reindex, but doing some test it
>> seems that it also has problems with the syntax of reindex operators. I need
>> to look into this (but perhaps not immediately, sorry)
>>
>> Phil
>>
>>
>> On 31 Jan 2012, at 02:30, Jens Kaiser wrote:
>>
>>> Hi all,
>>> we encountered an odd behaviour of REINDEX.
>>>
>>> Snip form logfile:
>>>
>>> Data line--- reindex HKL (h+l)/2, -k, (h-l)/2
>>> Data line--- end
>>>
>>> Reflections will be reindexed, and unit cell recalculated
>>>
>>> Reindexing transformation:
>>> (h' k' l') = ( h k l ) ( 1.00000 0.00000 1.00000 )
>>> ( 0.00000 -1.00000 0.00000 )
>>> ( 0.50000 0.00000 -0.50000 )
>>>
>>> Obviously, the first line of the matrix is not what we intended to
>>> create.
>>>
>>> inputting the transformation as HKL h/2+l/2, -k, h/2-l/2
>>> produces the desired result:
>>>
>>> Data line--- reindex HKL h/2+l/2, -k, h/2-l/2
>>> Data line--- end
>>>
>>> Reflections will be reindexed, and unit cell recalculated
>>>
>>> Reindexing transformation:
>>> (h' k' l') = ( h k l ) ( 0.50000 0.00000 0.50000 )
>>> ( 0.00000 -1.00000 0.00000 )
>>> ( 0.50000 0.00000 -0.50000 )
>>>
>>>
>>>
>>> Admittedly, the documentation does not use any brackets in the examples,
>>> but i would expect REINDEX either to throw an error or treat (h+l)/2
>>> like (h-l)/2 but not treat them in the way encountered.
>>>
>>> Cheers,
>>>
>>> Jens
>>>
>>>
>>> --
>>> +-------------------------------------+-----------------------------+
>>> | Jens T. Kaiser | Office: +1(626)395-2662 |
>>> | California Institute of Technology | Lab: +1(626)395-8392 |
>>> | m/c 114-96 | Cell: +1(626)379-1650 |
>>> | 1200 E. California Blvd. | Xray: +1(626)395-2661 |
>>> | Pasadena, CA 91125 | Email: [log in to unmask] |
>>> | USA | Skype: jens.t.kaiser |
>>> +-------------------------------------+-----------------------------+
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