Introduction to Python Modules¶
One big question still remains though: how did we know to type
from simmate.toolkit import Structure? Here, you should learn to think of python packages (such as Simmate) as many classes and functions organized into folders.
As an example, you can read
from simmate.toolkit import Structure as "Inside of the
simmate folder, go to the
toolkit file and load the
Here's a second example:
from simmate.toolkit.base_data_types.lattice import Lattice is the same as saying "Go to the
simmate folder -->
toolkit folder -->
base_data_types folder -->
lattice.py file --> grab the
So whenever you see an
import line, it's just telling you where the actual code is located. All of Simmate's code (and all python codes everywhere) is organized like this.
A walk-through example¶
To prove it, let's go through these steps:
- on Simmate's github homepage, go the src/simmate folder (src = source code)
- You'll see the
toolkitfolder that we were using before.
- Navigate through the folders.
- You see a Calculation class where all of it's methods and properties are defined.
Each of these folders and files are referred to as python "modules" -- it's just python terminology.