DSA101

Repository for DSA101 exercises (UZH DSA minor)

There are some exercises to get started and to introduce specific concepts, and a simulation to try out collaborative coding with git.

DSA 101 simulation

This is a simulation exercise for the course DSA 101: Introduction to Data Analytics and Python. The purpose of this exercise is to practice a collaborative workflow using git.

Module coordinator and main instructor: Prof. Alexandria Deliz Liang

Co-instructor: Prof. Meredith C. Schuman

Description

The purpose of this exercise is to practice a collaborative workflow using git. Each team member will need to clone, edit, add, commit, and push (and you may check the status).

The simulation is a toy model of atoms from two different elements reacting in the gas phase. It is loosely motivated by the reaction of nitrogen and oxygen to nitrous oxide. It can be improved.

The repository folder collider contains the following files:

• collider.py: a Python file that simulates particle collisions
• Simulation_interface.ipynb: a Python notebook to run the simulation
• requirements.txt: a requirement file
• test_collider.py: test suite using pytest

To run the toy model:

1. Create a Python environment from the environment file.
2. Run the Python notebook (this will call the Python file).

Assignment

This is an assignment for groups of ca.three persons.

First get set up:

1. Select one fork of this repository that the entire group will collaborate on. All group members must have equal rights on the fork (e.g. invited as owners).
2. Invite the instructor to the fork as a viewer / collaborator.
3. All group members should then clone the fork onto their computer.
4. Each group member should first get the toy model to run before making any changes.

In small groups, assign one task to each person:

1. Add live charts that update as the simulation runs and show the current values of the following parameters: temperature, number of collisions, number of reactions, amounts of "product"
2. Add different versions of the toy model's "reaction vessel": a wall in the middle, walls with holes.
3. Change the simulation such that the reaction products can disassociate again.

Authors and acknowledgment

Authors of this repository: Prof. Meredith C. Schuman and Dr. Alexander Steppke

Thanks to Dr. Domitille Coq--Etchegaray for help setting up the original repository.