This is a Python module to calculate isomers of ferecrystalline compounds. The concept of ferecrystal isomers was introduced by Esters et al. (DOI: 10.1002/anie.201409714) for ferecrystals with two components. This module calculates all isomers for up to 26 different components using the algorithm for generating bracelets with fixed content by Karim et al. (DOI: 10.1016/j.tcs.2012.11.024). The isomers can be filtered by thickness of the individual components and by desired or undesired interfaces.
The py files can be used as is and do not require any packages not present in a standard python installation. The easiest way to use this module is to change the 'print_isomers.py' file. Detailed instructions are presented in there.
The module uses string and copy, which are part of the standard Python installation. For the unittest, the package six is required for Python 2 and 3 compatibility.