- show()
-
Displays the optimization history window for a molecule.
- showEnergy(status)
-
Sets the displays of the energy curve to status. status has
to be one of the integer constants
ON
or OFF
defined in the
viewmol
module.
- showGradient(status)
-
Sets the displays of the gradient curve to status. status has
to be one of the integer constants
ON
or OFF
defined in the
viewmol
module.
- showScales(status)
-
Sets the displays of the scales to status. status has
to be one of the integer constants
ON
or OFF
defined in
the viewmol
module.
- animate(status)
-
Sets the animation of the optimization history to status. status
has to be one of the integer constants
ON
or OFF
defined in the
viewmol
module.
- iteration([iteration])
-
Sets or returns the iteration displayed. iteration has to be an
integer between 0 and the number of optimization steps for this molecule.
- saveDrawing(format, filename)
-
Saves the energy level diagram to file. format has to be one of the
integer constants
TIFF
, PNG
, HPGL
, or POSTSCRIPT
defined
in the viewmol
module, filename the name of the file the
drawing is saved to.
The optimization history window can be closed by deleting the history
object.
Jörg-Rüdiger Hill Fri Oct 31 14:19:21 CET 2003