def partial_transform(self, traj):
        """Featurize an MD trajectory into a vector space via pairwise
        atom-atom distances

        Parameters
        ----------
        traj : mdtraj.Trajectory
            A molecular dynamics trajectory to featurize.

        Returns
        -------
        features : np.ndarray, dtype=float, shape=(n_samples, n_features)
            A featurized trajectory is a 2D array of shape
            `(length_of_trajectory x n_features)` where each `features[i]`
            vector is computed by applying the featurization function
            to the `i`th snapshot of the input trajectory.

        See Also
        --------
        transform : simultaneously featurize a collection of MD trajectories
        """
        d = md.geometry.compute_distances(traj, self.pair_indices,
                                          periodic=self.periodic)
        return d ** self.exponent
def partial_transform ( self , traj ) : d = md . geometry . compute_distances ( traj , self . pair_indices , periodic = self . periodic ) return d ** self . exponent
Featurize an MD trajectory into a vector space via pairwise
        atom-atom distances

        Parameters
        ----------
        traj : mdtraj.Trajectory
            A molecular dynamics trajectory to featurize.

        Returns
        -------
        features : np.ndarray, dtype=float, shape=(n_samples, n_features)
            A featurized trajectory is a 2D array of shape
            `(length_of_trajectory x n_features)` where each `features[i]`
            vector is computed by applying the featurization function
            to the `i`th snapshot of the input trajectory.

        See Also
        --------
        transform : simultaneously featurize a collection of MD trajectories