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remove TimeseriesCollection
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package/MDAnalysis/__init__.py

Lines changed: 1 addition & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -143,7 +143,7 @@
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"""
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from __future__ import absolute_import
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__all__ = ['Timeseries', 'Universe', 'as_Universe', 'Writer', 'collection',
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__all__ = ['Timeseries', 'Universe', 'as_Universe', 'Writer',
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'fetch_mmtf']
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import logging
@@ -192,15 +192,12 @@
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from . import units
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# Bring some often used objects into the current namespace
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from .core import Timeseries
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from .core.universe import Universe, as_Universe, Merge
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from .coordinates.core import writer as Writer
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# After Universe import
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from .coordinates.MMTF import fetch_mmtf
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collection = Timeseries.TimeseriesCollection()
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from .migration.ten2eleven import ten2eleven
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import six

package/MDAnalysis/coordinates/DCD.py

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@@ -92,9 +92,6 @@
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from . import core
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# Add the c functions to their respective classes so they act as class methods
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from . import _dcdmodule
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# dcdtimeseries is implemented with Pyrex - hopefully all dcd reading functionality can move to pyrex
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from . import dcdtimeseries
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class Timestep(base.Timestep):
@@ -399,8 +396,6 @@ class DCDReader(base.ReaderBase):
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random access into the trajectory (i corresponds to frame number)
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``data = dcd.timeseries(...)``
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retrieve a subset of coordinate information for a group of atoms
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``data = dcd.correl(...)``
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populate a :class:`MDAnalysis.core.Timeseries.Collection` object with computed timeseries
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Note
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----
@@ -578,55 +573,6 @@ def timeseries(self, asel=None, start=None, stop=None, step=None, skip=None,
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# XXX needs to be implemented
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return self._read_timeseries(atom_numbers, start, stop, step, format)
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def correl(self, timeseries, start=None, stop=None, step=None, skip=None):
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"""Populate a :class:`~MDAnalysis.core.Timeseries.TimeseriesCollection` object
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with time series computed from the trajectory.
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Calling this method will iterate through the whole trajectory and
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perform the calculations prescribed in `timeseries`.
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Parameters
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----------
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timeseries : :class:`MDAnalysis.core.Timeseries.TimeseriesCollection`
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The :class:`MDAnalysis.core.Timeseries.TimeseriesCollection` that defines what kind
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of computations should be performed on the data in this trajectory.
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start : int (optional)
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Begin reading the trajectory at frame index `start` (where 0 is the index
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of the first frame in the trajectory); the default ``None`` starts
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at the beginning.
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stop : int (optional)
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End reading the trajectory at frame index `stop`-1, i.e, `stop` is excluded.
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The trajectory is read to the end with the default ``None``.
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step : int (optional)
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Step size for reading; the default ``None`` is equivalent to 1 and means to
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read every frame.
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Note
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----
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The `correl` functionality is only implemented for DCD trajectories and
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the :class:`DCDReader`.
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.. deprecated:: 0.16.0
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`skip` has been deprecated in favor of the standard keyword `step`.
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"""
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if skip is not None:
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step = skip
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warnings.warn("Skip is deprecated and will be removed in"
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"in 1.0. Use step instead.",
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category=DeprecationWarning)
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start, stop, step = self.check_slice_indices(start, stop, step)
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atomlist = timeseries._getAtomList()
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format = timeseries._getFormat()
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lowerb, upperb = timeseries._getBounds()
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sizedata = timeseries._getDataSize()
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atomcounts = timeseries._getAtomCounts()
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auxdata = timeseries._getAuxData()
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return self._read_timecorrel(atomlist, atomcounts, format, auxdata,
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sizedata, lowerb, upperb, start, stop, step)
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def close(self):
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if self.dcdfile is not None:
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self._finish_dcd_read()
@@ -706,6 +652,3 @@ def dt(self):
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DCDWriter._write_dcd_header = types.MethodType(_dcdmodule.__write_dcd_header, None, DCDWriter)
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DCDWriter._write_next_frame = types.MethodType(_dcdmodule.__write_next_frame, None, DCDWriter)
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DCDWriter._finish_dcd_write = types.MethodType(_dcdmodule.__finish_dcd_write, None, DCDWriter)
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#DCDReader._read_timeseries = types.MethodType(dcdtimeseries.__read_timeseries, None, DCDReader)
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DCDReader._read_timecorrel = types.MethodType(dcdtimeseries.__read_timecorrel, None, DCDReader)

package/MDAnalysis/coordinates/__init__.py

Lines changed: 0 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -538,11 +538,6 @@ class can choose an appropriate reader automatically.
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``timeseries(atomGroup, [start[,stop[,skip[,format]]]])``
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returns a subset of coordinate data
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``correl(timeseriesCollection[,start[,stop[,skip]]])``
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populate a :class:`MDAnalysis.core.Timeseries.TimeseriesCollection` object
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with observable timeseries computed from the trajectory
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Attributes
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..........
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package/MDAnalysis/coordinates/dcdtimeseries.pyx

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