Given the number of atoms and which indices to include or exclude, returns a list of final indices that will be used. If not includes or

* Adds the same handler for all of the specified attrs * @param {String} attrs Pipe-separated list of attributes * @param {Function} handler The met

* Adds the same handler for all of the specified attrs * @param {String} attrs Pipe-separated list of attributes * @param {Function} handler The met

* Adds the same handler for all of the specified attrs * @param {String} attrs Pipe-separated list of attributes * @param {Function} handler The met

* Adds the same handler for all of the specified attrs * @param {String} attrs Pipe-separated list of attributes * @param {Function} handler The met

* Adds the same handler for all of the specified attrs * @param {String} attrs Pipe-separated list of attributes * @param {Function} handler The met

Tests that the eigenvalues are sorted correctly and that the output is zero-padded.

Tests if the random sorting obeys a gaussian distribution. Could possibly fail even though everything is OK. Measures how many times the two

Tests that sorting using row norm works as expected

* Used to calculate the partial power spectrum. * * The power spectrum is multiplied by an l-dependent prefactor * PI*sqrt(8.0/(2.0*l+1.0)); that c

================================================================================================ * Used to calculate the partial power spectrum. */

================================================================================================ * Used to calculate the partial power spectrum with t

* Used to calculate the partial power spectrum with feature compression * as described in Darby et al. Currently only for the mu = 1, nu = 1 * compr

Returns the cartesian coordinates given fractional coordinates. Args: fractional_coords (3x1 array): Fractional coords.

The radial cutoff is extended by adding a padding that depends on the used used sigma value. The padding is chosen so that the gaussians

Used to create a periodically extended system. If centers are not specified, simply takes returns the original system multiplied by an integer

Computes the global similarity between two structures A and B. Args: localkernel(np.ndarray): NxM matrix of local simila

Can be used to query the location of a species combination in the the flattened output. Args: species(tuple): A tuple con

Calculates the pairwise similarity of atomic environments with scikit-learn, and the pairwise metric configured in the constructor. A

Return a zero-initialized numpy array for the descriptor.