Implement structure compositions in python for unit tests

royallgroup / TCC

The Topological Cluster Classification algorithm

https://royallgroup.github.io/TCC/

GNU General Public License v3.0

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Closed tranqui closed 6 years ago

tranqui commented 6 years ago

Most unit tests for cluster detection currently fail because we do not have a breakdown of the expected structure compositions of most clusters.

merrygoat commented 6 years ago

Please include a new structure for 7ZS and 7ZS, this will help checking they work OK.

tranqui commented 6 years ago

Final implementation in 526e400b1a00280c06d4560b9506e5bea4c9ec9c, closing