Constraints

You can now fix the position of atoms… The constraints are passed
with the forcefield between AutoOpt and the FF Extention. You can add
constraints, and delete all, delete single row doesn’t work yet. There
is one problem tough: If you add or delete, you have to click on the
table to see the changes. Am I forgetting some call to an update
function?

I’ll try to finish the rest tommorow… Load/Save, Delete single row,
and the OB implementation of the constraints

Tim

On Dec 5, 2007 4:41 AM, Tim Vandermeersch tim.vandermeersch@gmail.com wrote:

You can now fix the position of atoms… The constraints are passed
with the forcefield between AutoOpt and the FF Extention. You can add
constraints, and delete all, delete single row doesn’t work yet. There
is one problem tough: If you add or delete, you have to click on the
table to see the changes. Am I forgetting some call to an update
function?

Found the problem: had to emit dataChanged()…

I’ll try to finish the rest tommorow… Load/Save, Delete single row,
and the OB implementation of the constraints

Tim