-
Notifications
You must be signed in to change notification settings - Fork 8
Timeline
The first task could be reading and writing molecule files.
We can start by uisng the xyz format which is quite straight forward.
A user provided xyz should be read and shown on the screen.
Also, users should be able to save the molecule on the screen as an xyz file as well.
We should also have a small database of available xyz files the user can select
from to load to the screen.
Add functionality for selecting and editing individual atoms and bonds. The selected components should be highlighted. Can edit atom type, radius, color, bond distance, bond radius and color. Move and rotate, atoms, molecules.
Implementing connect wheel function. This would require at least one atom to be selected to determine connection site. If two atoms are selected the wheel molecule would be aligned according to those two where one selected atom would be the connection site and the other would be the alignment site. After the atoms are selected, connect wheel option can be clicked from the menu which would pop-up a window. Here, the user can select which wheel they would like to add. There needs to be previously defined wheel molecules with determined connection and alignment sites. These are used to connect the wheel correctly (alignment and position). Initially we can use the wheel library in the Avogadro nanocar builder however in the future users should be able to define their own wheels.