dynsight.data_processing.getdistancesfromrefnormalized

dynsight.data_processing.getdistancesfromrefnormalized(soaptrajdata, references)[source]

Shortcut for getDistancesFromRef() with normalization.

  • Original author: Daniele Rapetti

see SOAPify.SOAPClassify.getDistancesFromRef(), the distance calculator is SOAPdistanceNormalized() and doNormalize is set to True

Parameters:

  • soaptrajdata (h5py.Dataset) – the dataset containing the SOAP trajectory

  • references (SOAPify.SOAPReferences) – the contatiner of the references

Returns:

the trajectory of distance from the given references

Return type:

np.ndarray