from __future__ import division, absolute_import from six.moves import zip import numpy as np import scipy.optimize import warnings from MDAnalysis.lib.log import ProgressMeter from MDAnalysis.lib.distances import distance_array, calc_angles, calc_bonds from MDAnalysis.lib.util import deprecate from MDAnalysis.due import due, Doi due.cite( Doi("10.1063/1.4922445"), description="Hydrogen bonding autocorrelation time", path='MDAnalysis.analysis.hbonds.hbond_autocorrel', ) del Doi class HydrogenBondAutoCorrel(object): """Perform a time autocorrelation of the hydrogen bonds in the system. Parameters ---------- universe : Universe MDAnalysis Universe that all selections belong to hydrogens : AtomGroup AtomGroup of Hydrogens which can form hydrogen bonds acceptors : AtomGroup
""" from __future__ import division, absolute_import from six.moves import zip import numpy as np import scipy.optimize import warnings from MDAnalysis.lib.log import ProgressMeter from MDAnalysis.lib.distances import distance_array, calc_angles, calc_bonds from MDAnalysis.lib.util import deprecate from MDAnalysis.due import due, Doi due.cite(Doi("10.1063/1.4922445"), description="Hydrogen bonding autocorrelation time", path='MDAnalysis.analysis.hbonds.hbond_autocorrel', ) del Doi class HydrogenBondAutoCorrel(object): """Perform a time autocorrelation of the hydrogen bonds in the system. Parameters ---------- universe : Universe MDAnalysis Universe that all selections belong to hydrogens : AtomGroup AtomGroup of Hydrogens which can form hydrogen bonds acceptors : AtomGroup AtomGroup of all Acceptor atoms