Pointless does at least throw an error
On 31 Jan 2012, at 13:19, Ian Tickle wrote:
> 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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