[Openchemistry-developers] GSoC Query - OpenChemistry

[Marcus D. Hanwell]

Hi Fawad,

On Wed, Mar 15, 2017 at 3:35 AM, Fawad Masood Desmukh
<fawadmasooddesmukh at gmail.com> wrote:
> Hi Marcus,
>
> I'm a Computer Science student from the University of Hong Kong and I was
> hoping to participate in the Google Summer of Code. Going through the
> organization list, OpenChemistry caught my eye. I was interested in the
> "Project: Integrate with VTK: Volume Rendering and Charts" and was hoping
> you could direct me to where I could know more about the task and how I
> could get started with possibly solving it. I couldn't get the exact
> repository or issue number from the OpenChemistry GSoC ideas page.
>
If you look in the avogadrolibs repository you will see an
avogadro/vtk folder there. Much has changed, but essentially we would
expose the new QVTKOpenGLWidget class from VTK (which is a modern
version of QVTKWidget exposed in Avogadro Libs now but targeted at Qt
5). There are a whole host of great rendering techniques we can then
expose, the code shows a basic volume rendering integration.

There are 2D charts, such as line, points, histograms, and
multidimensional analysis such as parallel coordinates and scatter
plot matrix. There are web export options, so that we might save the
entire 3D scene to a WebGL capable renderer. There is a really nice
color opacity histogram widget we wrote for Tomviz that I would love
to expose in Avogadro that used the VTK charts, some interaction, and
sets the inputs dynamically for the volume renderer.

The project is somewhat open ended on exactly what we integrate, but I
think the two most useful elements are the volume rendering and the
charts. Both are predicated on the use of QVTKOpenGLWidget, and
updating to what is in the last VTK release (or current master).

Hope that helps.

Marcus