pele.gui#

pele GUI (pele.gui)#

This module contains all the necessary components for running the gui.

Simply initialize your system and pass it to run_gui:

from pele.systems import LJCluster
from pele.gui import run_gui
mysystem = LJCluster(13)
run_gui(mysystem)

if you pass a database file name it will connect to an existing database or create a new one at that location:

run_gui(mysystem, db="database.sqlite")

Preparing my System for use in the gui#

If you have written your own system class and want to run it in the gui, there are a few additional member functions must be defined:

mysystem.draw(coords, index)
mysystem.smooth_path(images)

Both of these are used for displaying your system in a 3D OpenGL renderer. See BaseSystem and existing derived classes like LJCluster and BLJCluster for more information and examples of how to implement these.