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

[Peter Zwart]

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> 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 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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-- 
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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
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