On 08/11/2010 15:11, Andrew Dalke wrote:
>> In C++
>> std::string OBPlugin::ListAsString
>> (const char* PluginID, const char* param=NULL);
>> gives similar functionality, but I don't know whether it is exposed in
>> Python.
>
> It seems I'm doing wrong. I can't find where the code uses ListAsString and I
> can't find the list of supported PluginIDs.
There is no list because plugin types and instances are discovered at
runtime when the plugin instances are constructed. I don't know enough
about how the Python bindings work, but maybe your difficulties are
connected with this. The dynamic libraries containing plugins, e.g.
formats, certainly need to be loaded and this will happen when an
instance of OBConversion is made. But I thought that the fingerprints
were in the main code under linux (but not under Windows) and would
have already loaded.
>
> I also can't get the Python interface to ListAsVector working
>>>> q = openbabel.vectorString()
>>>> openbabel.OBFingerprint.ListAsVector("formats", None, q)
> False
>>>> list(q)
> []
>>>>
Looks like the is interface working but no formats were found - same
problem as above.
> I tried looking for C++ code which uses ListAsVector but couldn't
> find anything - not even a test.
There is certainly a shortage of tests.
ListAsVector is used by OBPlugin::List which is called from obabel.cpp
(e.g. with parameters "fingerprints", "verbose".)
> It doesn't seem right to use the implementation size (which is
> a power of 2) rather than the specification size (which for
> MACCS is 166 bits).
I agree. I'll try to output the number of bits and the data file
version (if applicable) in the second line of the description.
Chris
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