Nano material visualization tool in python.
Requires Panda3D 1.10 Written in Python 3.6.0, other versions of 3 should work, but have not been tested
To run the project, type the command python main.py in the command line or whichever alias you have
set up for python3.6.0 (could be something like python3 or python3.6).
This file contains the settings and properties of the main window. Panda3D is used to create the model. Additionally, this file pretty much holds the majority of the functionality of the app as a whole. It contains the framework for the front-end, holds the logic on user-specific input, and connects the user input to the associated molecular structure points that are gathered from either the read-in file or the structure library. Furthermore, the Panda3D particle rendering is in this file.
This file creates the menu bar at the top of the screen as well as the drop down items.
Any structures that will be added to the system should be added to this file. The methods take three parameters which specify the size of the structure. These parameters are x, y, and z directions. They return two values as a tuple. The first value is the list of atom locations and types for the structure. The second value is the total types in that structure. The total types is used to display the correct number of options when selecting atom color.
Additionally, this file contains the code to read in an XYZ file (which is implemented on the front-end) and the code to output an XYZ file (which is not implemented on the back-end)
Examples for how to test the structures can be found in the comments of that file.
The logic behind the cutting tool will be placed in this file. Currently we have an untested method to cut a sphere from a molecule, but this functionality has not be added to the GUI yet.
This file is used to build the executable. Following the steps on the attached URL is pretty self-explanatory. Pretty much, just run python setup.py bdist_apps to get a self contained project that runs from a clickable executable. Mind you, the user must have python 3.6 installed in order for the executbale to run.
https://www.panda3d.org/manual/?title=Distributing_Panda3D_Applications