Python citeの例

コード例 #1

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

コード例 #2

ファイル: hbond_autocorrel.py プロジェクト: MDAnalysis/mdanalysis

"""
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