Re: [OpenBabel-Devel] cif reader and multimolecule files

2011-10-22 Thread Vincent Favre-Nicolin
Hi,

   OK, I found a way to fix this, though the mysteries of tellg() and
seekg() in istream still elude me...

=> I've commited to SVN the new cifformat.cpp which seems to be able to
read CIF files with multiple molecules in separate data_ blocks.

  I did not extensively test this, just on 3/4 files, so Noël & Jean I'd
be very happy if you could try it.

  Most importantly, this should be also tested on other
platforms/compilers, as the behaviour of seekg() seems
not-so-well-defined and may vary with the OS/compiler (paranoid mode=ON).

Cheers,
Vincent

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Re: [OpenBabel-Devel] cif reader and multimolecule files

2011-10-25 Thread Noel O'Boyle
After a brief test, looks good to me on Windows/MSVC.

- Noel

On 22 October 2011 13:14, Vincent Favre-Nicolin
 wrote:
>        Hi,
>
>   OK, I found a way to fix this, though the mysteries of tellg() and
> seekg() in istream still elude me...
>
> => I've commited to SVN the new cifformat.cpp which seems to be able to
> read CIF files with multiple molecules in separate data_ blocks.
>
>  I did not extensively test this, just on 3/4 files, so Noël & Jean I'd
> be very happy if you could try it.
>
>  Most importantly, this should be also tested on other
> platforms/compilers, as the behaviour of seekg() seems
> not-so-well-defined and may vary with the OS/compiler (paranoid mode=ON).
>
>        Cheers,
>                Vincent
>

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