invQ 0.1.1

A Python package to calculate the angles of quaternions with respect to a reference quaternion considering the point group symmetry of the rigid body

invQ

invQ is a Python package to calculate the angles of quaternions with respect to a reference quaternion considering the point group symmetry of the rigid body.

Quaternion

You may look at Wikipedia for details.

Contributor

• Sumitava Kundu, IACS, Kolkata.

Installation

Prerequisites

1. python3 or higher
2. rowan

Installation via pip

pip install pltRDF

Using source code

git clone https://github.com/sumitavakundu007/invQ.git
tar -xvf invQ-X.X.X
cd invQ-X.X.X
python3 setup.py install --user

Usage

from invQ import invQuat
invQuat("orientations.json", "equivQ.json")

You need to prepare 'orientations.json' and 'equivQ.json'

Sample format for 'orientations.json'

{
    "refQ" : [1, 0, 0, 0],   # The refernce quaternion which you want to use to calculate the angles
    "Orientations" : [[1, 0, 0, 0]]   # The quaternions of the rigid body 
}

Sample format for 'equivQ.json'

{
    "Equivalent_orientations" : [[1, 0, 0, 0]]   # Equivalent quaternions from the point group symmetry of the rigid body.
}

Contributing

Pull requests are welcome. For major changes, please open an issue first to discuss what you would like to change.

Please make sure to update tests as appropriate.

License

[MIT](https://choosealicense.com/licenses/mit/