[cctbxbb] [Dials-support] Issue with hierarchy.as_pdb_string

[Graeme.Winter@Diamond.ac.uk]

Morning all,

Mike came to the DIALS list with some pdb-reading related issues - however in DIALS land we usually don’t mess with this kind of stuff - is there someone who can help him out here please?

Many thanks Graeme

On 27 Apr 2018, at 18:14, Wall, Michael E <mewall at lanl.gov<mailto:mewall at lanl.gov>> wrote:

Hi,

I'm seeing the following issue with a fresh build of dials development source, downloaded within the last hour. There's no error using dials v1-9-1. Is this a bug? Something that's being revised right now?

Thanks, Mike

Traceback (most recent call last):
  File "../../src/xenm_new.py", line 609, in <module>
    ftmp.write(pdb_in.hierarchy.as_pdb_string(crystal_symmetry=pdb_in.input.crystal_symmetry()))
  File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/__init__.py", line 1191, in crystal_symmetry
    self_symmetry = self.crystal_symmetry_from_cryst1()
  File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/__init__.py", line 1168, in crystal_symmetry_from_cryst1
    return cryst1_interpretation.crystal_symmetry(cryst1_record=line)
  File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/cryst1_interpretation.py", line 138, in crystal_symmetry
    unit_cell=u)
  File "/home/mewall/packages/dials_devel/modules/cctbx_project/iotbx/pdb/cryst1_interpretation.py", line 87, in space_group_info
    try: return sgtbx.space_group_info(self.symbol)
  File "/home/mewall/packages/dials_devel/modules/cctbx_project/cctbx/sgtbx/__init__.py", line 97, in __init__
    symbols = space_group_symbols(symbol)
Boost.Python.ArgumentError: Python argument types in
    space_group_symbols.__init__(space_group_symbols, str)
did not match C++ signature:
    __init__(_object*, int space_group_number)
    __init__(_object*, int space_group_number, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > extension='')
    __init__(_object*, int space_group_number, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > extension='', std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > table_id='')
    __init__(_object*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > symbol)

    __init__(_object*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > symbol, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > table_id='')

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