MPCDAnalysis.NormalModeAutocorrelation.NormalModeAutocorrelation Class Reference

Public Member Functions
def	__init__ (self, rundirs)
def	getNormalModeCount (self)
def	getMaximumMeasurementTime (self)
def	getAutocorrelation (self, mode, correlationTime)
def	getMPLAxes (self, mode, showEstimatedStandardDeviation=True)

Detailed Description

Analysis class for data on normal mode autocorrelation, as produced by
`OpenMPCD::CUDA::MPCFluid::Instrumentation::NormalModeAutocorrelation`.

Unless specified otherwise, all times are measured in units of `measurement
time`, as defined in
`OpenMPCD::CUDA::MPCFluid::Instrumentation::NormalModeAutocorrelation`.

@see OpenMPCD::CUDA::MPCFluid::Instrumentation::NormalModeAutocorrelation

Definition at line 20 of file NormalModeAutocorrelation.py.

Constructor & Destructor Documentation

__init__()

def MPCDAnalysis.NormalModeAutocorrelation.NormalModeAutocorrelation.__init__	(		self,
			rundirs
	)

    The constructor.

    @throw TypeError
           Throws if `rundirs` is not a `string`, or a `list` of `string`s.
    @throw ValueError
           Throws if the given `rundir` does not exist, or does not contain
           a readable, valid `normalModeAutocorrelations.data` file.

    @param[in] rundirs
               The run directory, as a `string`. From this directory, the
               file `normalModeAutocorrelations.data` will be read as input.
               Alternatively, this may be a `list` of `string` instances,
               each of which will be treated as described above.

Definition at line 38 of file NormalModeAutocorrelation.py.

Member Function Documentation

getAutocorrelation()

def MPCDAnalysis.NormalModeAutocorrelation.NormalModeAutocorrelation.getAutocorrelation	(		self,
			mode,
			correlationTime
	)

    Returns an `OnTheFlyStatisticsDDDA` object that holds information on the
    sample of measured autocorrelations for normal mode index `mode` and
    correlation time `correlationTime`.

    @throw TypeError
           Throws if any of the arguments have invalid types.
    @throw ValueError
           Throws if any of the arguments have invalid values.

    @param[in] mode
               The normal mode index, as an `int` in the range
               `[0, getNormalModeCount())`.
    @param[in] correlationTime
               The correlation time to return results for, measured in
               This argument is to be of type `int`, non-negative, and at
               most `getMaximumMeasurementTime()`.

Definition at line 134 of file NormalModeAutocorrelation.py.

getMaximumMeasurementTime()

def MPCDAnalysis.NormalModeAutocorrelation.NormalModeAutocorrelation.getMaximumMeasurementTime

(

self

)

    Returns, in units of `measurement time`, the maximum correlation time
    that was configured to be measured, i.e. \f$ N_A - 1 \f$.

Definition at line 110 of file NormalModeAutocorrelation.py.

getMPLAxes()

def MPCDAnalysis.NormalModeAutocorrelation.NormalModeAutocorrelation.getMPLAxes	(		self,
			mode,
			showEstimatedStandardDeviation = True
	)

    Returns an `matplotlib.axes.Axes` object that plots the normal mode
    autocorrelation of mode index `mode` against the correlation time, in
    units of `measurement time`.

    @throw TypeError
           Throws if any of the arguments have invalid types.
    @throw ValueError
           Throws if any of the arguments have invalid values.

    @param[in] mode
               The normal mode index, as an `int` in the range
               `[0, getNormalModeCount())`.
    @param[in] showEstimatedStandardDeviation
               Whether to show, for each data point, the estimated standard
               deviation.

Definition at line 187 of file NormalModeAutocorrelation.py.

getNormalModeCount()

def MPCDAnalysis.NormalModeAutocorrelation.NormalModeAutocorrelation.getNormalModeCount

(

self

)

    Returns the number of normal modes.

Definition at line 98 of file NormalModeAutocorrelation.py.

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The documentation for this class was generated from the following file:

• NormalModeAutocorrelation.py