smparker / molecular-blender Goto Github PK

At some point we should probably make a molecule class that organizes all the atoms and bonds for a given import and helps make unique names. This will make it a lot easier to deal with importing from multiple files, should we ever want to support that.

At the same time, a Bond class could be helpful to facilitate some more advanced future features or animations by holding onto the bond name, all of the masking info, material info, etc.

A really neat visual effect would be for bonds to narrow or to turn more transparent as they reach their breaking point. This could be accomplished by keyframing bond radius or transparency according to some sufficiently sharp function of bond length.

We should be able to specify styles (ball and stick, sticks, VDW) from the input. Internally, they should all be plotted with the same function, just with different scale factors etc. for each style. Style should also probably control whether bonds are drawn.

They aren't called by anything currently. If they actually do something different than PlotMolecule, then we should merge functionality. If not, we should get rid of them.

If two molecules are imported into the same scene, the second one literally explodes... all the atoms and bonds are scattered in seemingly random locations.