[cctbxbb] Does cctbx have an easy to access spherical harmonic table?

[Pavel Afonine]

Why move discussion off line? I see myself using this sometime in 
future, so I'd like to know quality/usability-status of the code being 
out there. My opinion is binary in this respect: if it is out there I 
expect it it works and I can trust it. If it is it not otherwise ..... - 
please tell me why I should not trust your contribution to the open 
source library?

Pavel


On 5/9/15 2:15 PM, Peter Zwart wrote:
> Hi Graeme,
>
> I can clean this up, the monster is an overkill. Can we chat offline 
> tomorrow / Monday?
>
> P
>
> On 9 May 2015 at 13:07, <Graeme.Winter at diamond.ac.uk 
> <mailto:Graeme.Winter at diamond.ac.uk>> wrote:
>
>     Hi Folks
>
>     Digging around some more found the test for the Zernike stuff, now
>     have
>
>     from __future__ import division
>
>     def tst_nss_spherical_harmonics():
>       from scitbx import math
>       from scitbx.array_family import flex
>       N=50
>       M=20
>       lfg =  math.log_factorial_generator(N)
>       nsssphe = math.nss_spherical_harmonics(M+5,50000,lfg)
>
>       l = 2
>       m = 1
>       t = 1
>       p = 1
>
>       print nsssphe.spherical_harmonic(2, 1, 1, 1)
>
>     tst_nss_spherical_harmonics()
>
>     Not clear what a log factorial generator is, but seems to work
>
>     if I am only caring about small integer l for Ylm do I need to
>     have the big numbers above?
>
>     Thanks Graeme
>
>     > On 9 May 2015, at 20:58, Graeme.Winter at Diamond.ac.uk
>     <mailto:Graeme.Winter at Diamond.ac.uk> wrote:
>     >
>     > Hi Folks,
>     >
>     > Looked and something is used from boost but they don’t appear to
>     be clearly wrapped to Python.
>     >
>     > in
>     >
>     > scitbx.math.nss_spherical_harmonics
>     >
>     > found nearly what I was looking for but it seems to be for some
>     other purpose & not really do what I want (and needs mystery
>     things in constructor….)
>     >
>     >>>> _sh = sh(2, 1)
>     > Traceback (most recent call last):
>     >  File "<stdin>", line 1, in <module>
>     > Boost.Python.ArgumentError: Python argument types in
>     > nss_spherical_harmonics.__init__(nss_spherical_harmonics, int, int)
>     > did not match C++ signature:
>     >    __init__(_object*, int l_max, int mangle,
>     scitbx::math::zernike::log_factorial_generator<double> lgf)
>     >
>     >
>     > Any clues would be welcome, else wise most sensible thing seems
>     to be to wrap up to Python the boost spherical harmonic code…
>     >
>     > Thanks Graeme
>     >
>     >
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> -- 
> -----------------------------------------------------------------
> P.H. Zwart
> Staff Scientist
> Berkeley Center for Structural Biology, Science lead
> Lawrence Berkeley National Laboratories
> 1 Cyclotron Road, Berkeley, CA-94703, USA
> Cell: 510 289 9246
> SASTBX: http://sastbx.als.lbl.gov
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