Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Jens Kaiser
Ian, Ah! the old the row is the column depiction of matrices in CCP4 - ha had forgotten about that! Now at least the output makes sense and the caveat is to never use brackets. Thanks to all replies!! Jens On Tue, 2012-01-31 at 10:17 +, Ian Tickle wrote: > On 31 January 2012 02:30, Jens Ka

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Eleanor Dodson
Agreed.. E On 01/31/2012 01:20 PM, Phil Evans wrote: 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. Ch

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Phil Evans
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:

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Ian Tickle
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 wrote: > Sorry, but  it is a pain writing interpreters - at least it was in Fortran! >

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Ian Tickle
On 31 January 2012 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: >      

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Eleanor Dodson
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

Re: [ccp4bb] odd behaviour of reindex

2012-01-31 Thread Phil Evans
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 b

[ccp4bb] odd behaviour of reindex

2012-01-30 Thread Jens Kaiser
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 ) ( 1.0 0.0 1.0 )