[cctbxbb] problem in "space_group_type"

Koen De Keyser koen.dekeyser at ugent.be
Wed Apr 16 04:58:54 PDT 2008


I'm currently in the process of writing some texture 
analysis/visualization software (XRD pole figures, EBSD) and would like 
to use cctbx as a basis for the crystallography calculations, as I don't 
want to reinvent the wheel.

Development is in C++ on Windows, and trying one of the examples from 
the code, I end up being able to crash the program, when running:

space_group_type sg_type("C 2");

This occurs using the latest release and still happens in the 
(unreleased) code from 13th of April, both times, I compiled the library 
from source, using Visual Studio 2005 and 2008. It looks to me that the 
problem is situated in the Hall symbol part of the space group (those 
structures are indicated as bad_ptr in the debugger, when crashing)

The error only occurs when running in Debug mode. In Release mode, 
everything works fine, suggesting a memory initialization problem.

I'm unable to debug the problem myself or get more details, as I can't 
get the library to compile with debugging information in it (Is there an 
easy way to do this with the Scons build system? I haven't used Scons 


Koen De Keyser


ir. Koen De Keyser
Solid State Sciences
Ghent University
Krijgslaan 281, S1
9000 Gent, Belgium
Tel: +32 9 264 43 54
Fax: +32 9 264 49 96
Koen.DeKeyser at UGent.be

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