obs_factory

Module for observable reader abstract class

class MDMC.readers.observables.obs_reader.ObservableReader(file_name)[source]

Abstract class that defines methods common to all readers for observables

ObservableReaders are created using ObservableReaderFactory

assign(observable: Observable)[source]

Abstract method to assign the parsed information into the Observable

Parameters

observable (Observable) – An MDMC Observable that will be assigned the data parsed by the reader.

property data

A dictionary of dictionaries containing the independent variables, dependent variables and the associated errors.

Returns

The independent variables, dependent variables and the errors on the dependent variables

Return type

dict

abstract property dependent_variables

The dependent variables

Returns

A dictionary of the dependent variables

Return type

dict

abstract property errors

The errors on the dependent variables

Returns

A dictionary of the errors on the dependent variables

Return type

dict

abstract property independent_variables

The independent variables

Returns

A dictionary of the independent variables

Return type

dict

class MDMC.readers.observables.obs_reader.PDFReader(file_name)[source]

Abstract base subclass that adds attributes & methods common to all PDF readers

property PDF

Get or set the total pair distribution function between pairs (in barn) :returns: total pair distribution function (in barn) :rtype: numpy.ndarray

property PDF_err

Get or set the error on the total pair distribution function between pairs (in barn) :returns: error on the total pair distribution function (in barn) :rtype: numpy.ndarray

property dependent_variables

Get the dependent variable PDF, the pair distribution function (in barn)

Returns

The dependent variable, PDF (in barn)

Return type

dict

property errors

Get the errors on the dependent variable

Returns

The error on PDF (in barn)

Return type

dict

property independent_variables

Get the independent variable r (in Ang^-1)

Returns

The independent variable r (in Ang^-1)

Return type

dict

property r

Get or set the value of the atomic separation distance (in Ang)

class MDMC.readers.observables.obs_reader.SQwReader(file_name)[source]

Abstract base subclass that adds attributes & methods common to all SQw readers

property E

Get or set the energy transfer, E, in meV

Returns

Energy transfer, E, in meV

Return type

array

property Q

Get or set the momentum transfer, Q, in Ang^-1

Returns

Momentum transfer, Q, in Ang^-1

Return type

array

property dependent_variables

Get the dependent variables, SQw (in arb)

Returns

The dependent variables, SQw (in arb)

Return type

dict

property errors

Get the errors on the dependent variables

Returns

The error on SQw (in arb)

Return type

dict

property independent_variables

Get the independent variables, Q (in Ang^-1) and E (meV)

Returns

The independent variables Q and E

Return type

dict

property w

Get or set the energy transfer expressed in angular frequency, w, in 1 / ps

Returns

Energy transfer as angular frequency, w, in 1 / ps

Return type

array