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passagemath: Generate fusene and benzenoid graphs with benzene

Project description

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-benzene provides an interface to benzene, a program for the efficient generation of all nonisomorphic fusenes and benzenoids with a given number of faces.

What is included

  • Binary wheels on PyPI contain prebuilt copies of the benzene executable.

Examples

Using the benzene program on the command line:

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

Finding the installation location of the benzene program:

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

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

In [2]: Benzene().absolute_filename()
Out[2]: '.../bin/benzene'

Using the Python interface:

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

In [1]: from sage.all__sagemath_benzene import *

In [2]: len(list(graphs.fusenes(9, benzenoids=True)))
Out[2]: 6505

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