[ghemical-devel] preview #2 is now online

[Tommi Hassinen]

Hi all.

Today I made an another "preview" available. There has been no major
problems, and the class framework that I have planned to use has worked so
far. Now there even is a mixed QM/MM engine class implemented (althought
it has no "glue code" yet and therefore the two parts are not yet
interacting). But for example one can make some plots using the mixed
engine class; in the "preview" tree I also included a few screenshots that
shows mixed QM/MM plots using two molecules (left one in MM, right one in
QM "submodel"). If you wish to try it, please remember that

	1) it only works with the GLUT target (TARGET2) and old makefiles.
	2) press 'M' and 'm' buttons to select the setup/engine classes.
	3) for a mixed QM/MM model, you should select the atoms that
		belong to the QM submodel (no bonds across QM/MM boundary
		supported yet).

So, now the "engine"-class framework is ready, in a broad sense, but I
need to work still with the details quite a lot. Now I also am quite 
convinced that this "preview" codebase will become later a development
tree for v2.0 and the current CVS tree will become a stable v1.0 tree.
In the near future I will add some of my own works to CVS (at least the
delayed MM force field parameter fitting framework) so that I could work
with as few source trees as possible.

The GNOME target is not working in the "preview" tree yet, because changes
to dialogs are needed as well. I might convert the dialogs libglade based
in the "preview" tree (gnumeric uses the same system I think) but I will
study that later.

Regards,

	Tommi