Procedures Details <Prev Next>

Determining J ranges and Colours

J ranges

To determine the minimum and maximum J value (Jmin and Jmax) included in a simulation PGOPHER will look in the following locations in order and the first that is not negative is taken:

  1. Manifold
  2. Molecule
  3. Species
  4. For Jmin: Lowest possible J
  5. For Upper manifold: Lower state J +/- maximum change in J

Colour

To determine the colour used in plots when (show parts) is selected, PGOPHER will look in the following locations and take the first one that is not set to "None":

  1. Transition Moment
  2. Lower State
  3. Lower Manifold
  4. Molecule
  5. Species
  6. Upper State
  7. Upper Manifold
Before version 10.1.160 a different algorithm was used, with the "lower" state or manifold being the one in the first manifold in the list as it appears in the constants window, rather than the strict lower state. The OldColourOrder setting can be used restore this behaviour.

The valid colour names are shown below. Note that selecting "Hide" also stops the affected lines contributing to the overall spectrum.
None
 Take colour from elsewhere
Hide
 Do not show
Maroon   
Green   
Olive   
Navy   
Purple   
Teal   
Gray   
Brown   
Red   
Lime   
Orange   
Blue   
Fuchsia   
Aqua   
Black   
White   
nnnnn
 Any RGB colour value