cmelab / cmelab/PhantomWalk

Unit Tests

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Jupyter Notebook
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Description

Unit tests are needed to check:

Periodic boundary conditions:
- particle outside of first periodic box
- non-cubic boxes
- long bonds

Random walk:
- uniform thetas and phis
- all particles are given a position
- all bonded particles are a bond length away

DPD frame instance:
- A particles are added to the frame
- positions from random walk are added to the frame
- bonds, angles and dihedrals are added to the frame

DPD simulation:
- parameters match input from kwargs
- running in a loop, checking simulation end criteria
- random number seeds

Contributor guide

No contributing guide indexed for this repository

Research direction

Start by locating the implementations and existing test setup for periodic boundary conditions, the random walk, DPD frame construction, and DPD simulation. Run the current tests first, then cover the listed edge cases and parameter, loop, and seed behavior; done means each requested behavior has a passing unit test.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook
Domain
testing-qa
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Quiet
Clarity
Mostly clear
Newbie friendliness
50/100

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