Atom Properties should calculate Partial Charges or hide the column

[ghutchis]

Right now, if no partial charges are calculated, the partial charge column is 0.0, which is incorrect.

I think there are possible solutions:

• hide the partial charge column if no charges have been calculated
• use the first possible charge model to display something (e.g., check when setMolecule() is called)
• (both) e.g., if no charges are calculated and no model is available

[Surajjalpun2002]

I did a weird fix where i moved the partial charge column to the last and when no charges have been calculated, the number of columns reduces to 7 from 8. But when it finds some type of partial charge is calculated it increases it back to 8 essentially rendering the partial charge column at the last.

[Surajjalpun2002]

i wanted to try the other solution where i force the calculation of some type of partial charge when atom properties are called but i have no idea how to go about that right now. Would you be able to point me in some direction here?

[ghutchis]

It looks like it's adding partial charge number to the color column.

[Surajjalpun2002]

Yeah gotta fix that too.

[Surajjalpun2002]

Is it issue solved? or is there something still to be done here?

[ghutchis]

I think for now, this is fixed, thanks.