[gmx-developers] Trajectory reader functions

[Victor Rühle]

Hey,

thanks. now only two little things left:

1) there is include/gromacs/oenv.h and include/gromacs/types/oenv.h, the 
first one is not installed.

2) output_env_init_default crashes because output_env_init cannot be 
called with argc=0, argv=NULL.

However, otherwise it works (manually copying oenv.h and calling 
output_env_init with some dummy argv).

Cheers,
Victor

Sander Pronk wrote:
> Done.
> I've made a separate oenv.h (src/gmxlib/oenv.c) that now contains everything necessary to use the data structure (including an initializer that just picks sensible defaults if you're not interested in the actual content).
> 
> 
> 
> On Mar 2, 2010, at 17:34 , Victor Rühle wrote:
> 
>> Hey,
>>
>> thanks, can you please also move the declaration of struct output_env from statutil.c to the header. otherwise i cannot allocate memory for incomplete type.
>>
>> Thanks,
>>
>> Cheers,
>> Victor
>>
>> Sander Pronk wrote:
>>> Hi Victor,
>>> I've just committed a patch to the git head/master that contains an exported version of the output_env initialization function. including all the related typedefs. That should allow you to initialize this structure (the actual values are probably not very important for your application).
>>> Sander
>>> On 1 Mar 2010, at 11:44 , Victor Rühle wrote:
>>>> Hi all,
>>>>
>>>> we tried to make our package (votca.org) compatible with the newest gromacs development version, but are a bit puzzled using the new trajectory reader functions read_first_frame and read_next_frame.
>>>>
>>>> You introduced a structure output_env which needs to be initialized, however we could not find a clean way to do this without using the gromacs command line parser. This we cannot do since we have our own command line parsing tools and the gmx functions should be used in a file format plugin.
>>>>
>>>> Can you give any hints how to use these functions without the overhead of command line parsing?
>>>>
>>>> Thanks in advance.
>>>>
>>>> Cheers,
>>>> Victor
>>>> -- 
>>>> gmx-developers mailing list
>>>> gmx-developers at gromacs.org
>>>> http://lists.gromacs.org/mailman/listinfo/gmx-developers
>>>> Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-developers-request at gromacs.org.
>> -- 
>> gmx-developers mailing list
>> gmx-developers at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-developers
>> Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-developers-request at gromacs.org.
>