Re: [Cdk-devel] Changing additional properties of depiction in DepictGenerator possible?

[John M <joh...@gm...>]

Hi Staffan,

Do you have an example of a picture you're getting at the moment? I think
there might be simple solution (i.e is it carbons with H counts you want to
hide?) - I've answered your actual question below:

You can control the H count but I would discourage it since it then changes
which molecule you're displaying. Firstly the distinction between
explicit/implicit hydrogen is that explicit are separate atom objects drawn
separate, suppressing hydrogens does not remove them (hence the wording
suppress) and it does change the molecular formula.

If the hydrogen count on an atom is set to zero no hydrogen will not be
displayed in the label but this may then mean you're displaying a radical
which generally isn't correct (unless you actually want to display a
radical). See the example in attached image and code snippet:

Code Snippet: https://gist.github.com/johnmay/b02fe5365c392f68017c

[image: Inline images 4]

Regards,
John W May
joh...@gm...

On 4 December 2015 at 21:39, Staffan Arvidsson <sta...@gm...>
wrote:

> Hi,
> The new DepictionGenerator was a really good addition and greatly
> simplifies things - kudos for that! Just wondering, would it currently be
> possible to change the behaviour of the functionality
> "withOuterGlowHighlight" into not depicting the hydrogens of highlighted
> atoms? I've tried to suppress hydrogens before calling the depict method
> but that seems to have no influence on the behaviour. Furthermore, as all
> generators are private, there seems to be no way of changing this manually
> either. Any ideas?
>
> Regards,
> Staffan Arvidsson
>
>
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