xnn.dnn.common.runner.runner_feature_key#

xnn.dnn.common.runner.runner_feature_key(row, cutoff)[source]#

The sort key RuNNer orders the features of an element by.

Parameters:

row (dict) – A symmetry-function row in RuNNer units (type, neighbors, eta, rs, lambda, zeta, theta_s).
cutoff (dict) – Its cutoff function (kind, r_cut).

Returns:

Type, cutoff radius, cutoff kind, the parameters rounded to five decimals, then the neighbour atomic numbers (fluorine last, as in RuNNer’s string comparison).

Return type:

tuple