[cctbxbb] a little help for newbie?

Winter, Graeme (DLSLtd,RAL,LSCI) Graeme.Winter at diamond.ac.uk
Mon Feb 17 22:04:38 PST 2020

Hi George

I’ve been caught out by this kind of thing on dozens of occasions and it is usually something like an accessor function (liberally scattering .as_1d() often helps)

If you could send the code block where the error manifests (to give some context to the stack trace) that would probably help

Best wishes Graeme

On 17 Feb 2020, at 19:12, georgep <georgep at rice.edu<mailto:georgep at rice.edu>> wrote:

I am starting to write some python code using cctbx, but am missing how to use the C++ bindings.
I am fine unless a try to access them.  Something about my environment or boost of something.
Can anyone point me in the right direction?

I have

import boost.python

but am cleary missing some fundamental knowledge.


Traceback (most recent call last):
  File "/Users/georgep/PycharmProjects/test_env/HIO_Version3.py", line 225, in <module>
    S0 = percentile[rho_calc_true > percentile(rho_calc_true, solv_frac)] = 1
  File "/Users/georgep/PycharmProjects/test_env/HIO_Version3.py", line 216, in percentile
    order = flex.sort_permutation(x)
Boost.Python.ArgumentError: Python argument types in
did not match C++ signature:
    sort_permutation(scitbx::af::const_ref<double, scitbx::af::trivial_accessor> data, bool reverse=False, bool stable=True)
    sort_permutation(scitbx::af::const_ref<unsigned long, scitbx::af::trivial_accessor> data, bool reverse=False, bool stable=True)
    sort_permutation(scitbx::af::const_ref<int, scitbx::af::trivial_accessor> data, bool reverse=False, bool stable=True)

George N. Phillips, Jr.
Ralph and Dorothy Looney Professor
BioSciences at Rice
Rice University, MS140
6100 Main Street
Houston, Texas  77005-1892
Office: +1 713.348.6951

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