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 <c...@ysbl.york.ac.uk> 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: kai...@caltech.edu | >>> | USA | Skype: jens.t.kaiser | >>> +-------------------------------------+-----------------------------+
