Source code for MDAnalysis.coordinates.dummy
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# Please cite your use of MDAnalysis in published work:
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# R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler,
# D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein.
# MDAnalysis: A Python package for the rapid analysis of molecular dynamics
# simulations. In S. Benthall and S. Rostrup editors, Proceedings of the 15th
# Python in Science Conference, pages 102-109, Austin, TX, 2016. SciPy.
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# N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein.
# MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations.
# J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787
#
"""
Dummy coordinate reader
=======================
Classes
-------
.. autoclass:: DummyReader
:members:
"""
from __future__ import absolute_import
import numpy as np
from .base import SingleFrameReaderBase
[docs]class DummyReader(SingleFrameReaderBase):
"""Basic Reader which does not read from any file
.. versionadded:: 0.17.0
"""
format = 'dummy'
def __init__(self, n_atoms=None, velocities=False, forces=False):
self.n_atoms = n_atoms
self.filename = 'DummyReader'
self.n_frames = 1
self._read_first_frame(velocities, forces)
self._transformations = []
def _read_first_frame(self, velocities=False, forces=False):
ts = self.ts = self._Timestep(self.n_atoms, positions=True,
velocities=velocities, forces=forces)
return ts