Re: [Avogadro-devel] "Active" Molecules Emit Interface Updates?

[Barry Moore]

Marcus,

Wonderful. If you want to make some notes and share them, I would like to
help. The final design of the surfaces interface would require such
functionality.

Best,

Barry

On Thu, May 5, 2016 at 3:18 PM, Marcus D. Hanwell <
marcus.hanw...@kitware.com> wrote:

> On Thu, May 5, 2016 at 2:13 PM, Barry Moore  wrote:
> > All,
> >
> > I have been thinking about upgrades to the surfaces interface in
> Avogadro 2,
> > but it brought me back to the "Molecules" widget (bottom left).
> Currently,
> > it doesn't really do much but I think this would be a great interface to
> > beef up. For example, it would be helpful if one could click a molecule
> to
> > make it "active" then emit a signal for all other interfaces which are
> > Molecule centric. Nearly all of the interfaces are linked to the current
> > molecule and this would make it a lot easier to design interfaces. What
> do
> > you guys think? Worth spending time on?
> >
> > In the future, one could open up multiple molecules and look at multiple
> > properties, cubes, etc. all at the same time.
> >
> This is the design I was working towards there, and agree beefing it
> up to make plugins more aware of active molecule changes would be
> good. We should also let tools be aware of multiple molecules, and
> look at what is needed to support that. I need to read through some of
> what is there to remember how far I got with some of that.
>
> Marcus
>



-- 
Barry E Moore II
E-mail: barry...@buffalo.edu

Research Assistant
Jochen Autschbach Research Group
Department of Chemistry
University at Buffalo
State University of New York
Buffalo, NY 14260
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Re: [Avogadro-devel] "Active" Molecules Emit Interface Updates?

[Marcus D. Hanwell]

On Thu, May 5, 2016 at 2:13 PM, Barry Moore  wrote:
> All,
>
> I have been thinking about upgrades to the surfaces interface in Avogadro 2,
> but it brought me back to the "Molecules" widget (bottom left). Currently,
> it doesn't really do much but I think this would be a great interface to
> beef up. For example, it would be helpful if one could click a molecule to
> make it "active" then emit a signal for all other interfaces which are
> Molecule centric. Nearly all of the interfaces are linked to the current
> molecule and this would make it a lot easier to design interfaces. What do
> you guys think? Worth spending time on?
>
> In the future, one could open up multiple molecules and look at multiple
> properties, cubes, etc. all at the same time.
>
This is the design I was working towards there, and agree beefing it
up to make plugins more aware of active molecule changes would be
good. We should also let tools be aware of multiple molecules, and
look at what is needed to support that. I need to read through some of
what is there to remember how far I got with some of that.

Marcus

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your business applications. It resolves application problems quickly and
reduces your MTTR. Get your free trial!
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