10.3 The energylevel module

show()

Displays the energy level diagram window for a molecule.

unit([unit])

Sets or returns the energy unit for the energy level diagram. unit has to be one of the integer constants HARTREE, KJ/MOL, EV, or 1/CM defined in the energylevel module.

resolution([resolution])

Sets or returns the resolution for the energy level diagram. resolution has to be a double greater than zero.

mode([mode])

Sets or returns the mode for the energy level diagram. mode has to be one of the integer constants ENERGY_LEVELS or DENSITY_OF_STATES defined in the energylevel module.

selectMO(mo1, [mo2])

Selects one or two molecular orbitals. mo1 and mo2 have to be integers between 0 and the number of molecular orbitals.

deselect()

Deselects molecular orbitals which have been selected with a call to selectMO.

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 has to be a string containing the name of the file the drawing is saved to.