[Molecularmechanics] CML info on the Wiki
Konrad Hinsen
molecularmechanics@tddft.org
Tue, 2 Dec 2003 11:51:30 +0100
On Monday 01 December 2003 19:18, Peter Murray-Rust wrote:
> We have now autogenerated Wiki pages from *all* the
> elements/attributes/dataTypes in CML and these are available at
> http://wwmm.ch.cam.ac.uk/moin/CmlSchemaComponents.
Thanks! This looks useful to have around.
> There about 200 schema components in all and although quite a few are
> irrelevant to FSATOM this indicates the scale of the problem that is
> involved. There are a number of additional components that still need to be
Indeed, but it also indicates a problem that CML users have, in particular
authors of programs that want to write CML files: in the absence of an
inverse documentation (which is not easy to produce), they have to read all
of this carefully to figure out what elements they can and should use for
their particular needs.
How does this work in practice? Has anyone developped CML-enabled programs
without the active help from the CML development team?
> We have also developed a code generator which has been used to create the
> Wiki. We are also hacking Java and C++. and would be interested to have a
> look at python when this is needed.
What would such code generators be used for?
Konrad.
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