echempp-devel

[Echempp-devel] model/experiment

[<ber...@t-...>]

Hi,
one more question:
we have now the model and experiment excecutables.
Is it correct that the experiment exec and the path 
Definitions->Geometry->ExcitationFunctionDefinition are just two 
alternative access possibilities to the same functionality?
These two execs truly follow our general `module' strategy. However, we 
still have to think about some kind of `integration' of the two into one 
common program (the `master EChem++').
Bernd
-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================

Re: [Echempp-devel] model/experiment

[Kai L. <kai...@un...>]

Hello Bernd,

> one more question:
> we have now the model and experiment excecutables.
> Is it correct that the experiment exec and the path
> Definitions->Geometry->ExcitationFunctionDefinition are just two
> alternative access possibilities to the same functionality?

Yes. Actually the experiment program is rather a
test program for Alain, to develop the ExcitationFunction
dialogs. The same is true for the ModSim executable.

> These two execs truly follow our general `module' strategy. However, we
> still have to think about some kind of `integration' of the two into on=
e
> common program (the `master EChem++').

Alain has already prepared a 'master EChem++'.
However, since a lot of functionality of
EChem++ are still not defined or implemented,
it may need some time before a master EChem++
executable makes sence.
By the way - the integration of the ModSim
dialogs into a master EChem++ should be very
easy.

For the first release, we should only install the
ModSim program.

Regards,
Kai


--=20
http://echempp.sourceforge.net

Kai Ludwig
Institut f=FCr Organische Chemie
Auf der Morgenstelle 18
72076 T=FCbingen
Mail: kai...@un...

Re: [Echempp-devel] model/experiment

[<ber...@t-...>]

Kai Ludwig wrote:

Kai,

> Yes. Actually the experiment program is rather a
> test program for Alain, to develop the ExcitationFunction
> dialogs. The same is true for the ModSim executable.
> 
> 

OK, that's what I thought.

> Alain has already prepared a 'master EChem++'.
> However, since a lot of functionality of
> EChem++ are still not defined or implemented,
> it may need some time before a master EChem++
> executable makes sence.

Yes, I understand.

I didn't have much time to do more testing. Parually due to the DSL 
failure, partially due to other (paper)work and lectures.
I'll come back to it.
What I could do in the last couple of nights, was some progress in the 
data container stuff. Still not finished though. I am trying to make 
everything generically, so a lot of template constructs are involved.
As usual, that's quite tricky. However, I'll get to it.

Bernd


-- 
=======================================================================
Bernd Speiser
Institut f"ur Organische Chemie
Auf der Morgenstelle 18
D-72076 T"ubingen
Germany
phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory)
fax:   +49-7071-295518
e-mail: ber...@un...
Internet: http://www.uni-tuebingen.de/speiser
=======================================================================