passagemath-buckygen 10.5.19

passagemath: Generation of nonisomorphic fullerenes with buckygen

About SageMath

“Creating a Viable Open Source Alternative to

Magma, Maple, Mathematica, and MATLAB”

Copyright (C) 2005-2024 The Sage Development Team

https://www.sagemath.org

SageMath fully supports all major Linux distributions, recent versions of macOS, and Windows (Windows Subsystem for Linux).

See https://doc.sagemath.org/html/en/installation/index.html for general installation instructions.

About this pip-installable distribution package

This pip-installable distribution passagemath-buckygen provides an interface to buckygen, a program for the efficient generation of all nonisomorphic fullerenes.

What is included

• Binary wheels on PyPI contain prebuilt copies of buckygen.

Examples

Using the buckygen program on the command line:

$ pipx run --pip-args="--prefer-binary" --spec "passagemath-buckygen[test]" sage -sh -c buckygen

Finding the installation location of the buckygen program:

$ pipx run --pip-args="--prefer-binary" --spec "passagemath-buckygen[test]" ipython

In [1]: from sage.features.graph_generators import Buckygen

In [2]: Buckygen().absolute_filename()
Out[2]: '.../bin/buckygen'

Using the Python interface:

$ pipx run --pip-args="--prefer-binary" --spec "passagemath-buckygen[test]" ipython

In [1]: from sage.all__sagemath_buckygen import *

In [2]: len(list(graphs.fullerenes(60)))
Out[2]: 1812

In [3]: gen = graphs.fullerenes(60, ipr=True); next(gen)
Out[3]: Graph on 60 vertices