Package diffpy :: Package pdfgui :: Package control :: Module pdfdataset :: Class PDFDataSet
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Class PDFDataSet

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               object --+    
                        |    
pdfcomponent.PDFComponent --+
                            |
                           PDFDataSet
Known Subclasses:
fitdataset.FitDataSet

PDFDataSet is a class for experimental PDF data.

Data members:
    robs       -- list of observed r points
    Gobs       -- list of observed G values
    drobs      -- list of standard deviations of robs
    dGobs      -- list of standard deviations of Gobs
    stype      -- scattering type, 'X' or 'N'
    qmax       -- maximum value of Q in inverse Angstroms.  Termination
                  ripples are neglected for qmax=0.
    qdamp      -- specifies width of Gaussian damping factor in pdf_obs due
                  to imperfect Q resolution
    qbroad     -- quadratic peak broadening factor related to dataset
    spdiameter -- particle diameter for shape damping function
                  Note: This attribute was moved to PDFStructure.
                  It is kept for backward compatibility when reading
                  PDFgui project files.
    dscale     -- scale factor of this dataset
    rmin       -- same as robs[0]
    rmax       -- same as robs[-1]
    filename   -- set to absolute path after reading from file
    metadata   -- dictionary for other experimental conditions, such as
                  temperature or doping

Global member:
    persistentItems -- list of attributes saved in project file
    refinableVars   -- set (dict) of refinable variable names.



Instance Methods [hide private]
 
__init__(self, name)
Initialize.
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clear(self)
reset all data members to initial empty values
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setvar(self, var, value)
Assign data member using PdfFit-style variable.
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getvar(self, var)
Obtain value corresponding to PdfFit dataset variable.
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read(self, filename)
load data from PDFGetX2 or PDFGetN gr file...
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readStr(self, datastring)
read experimental PDF data from a string...
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write(self, filename)
Write experimental PDF data to a file.
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writeStr(self)
String representation of experimental PDF data.
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copy(self, other=None)
copy self to other.
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Inherited from pdfcomponent.PDFComponent: close

Inherited from object: __delattr__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __str__

Class Variables [hide private]
  persistentItems = ['robs', 'Gobs', 'drobs', 'dGobs', 'stype', ...
  refinableVars = {'dscale': None, 'qbroad': None, 'qdamp': None}
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, name)
(Constructor)

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Initialize.

name -- name of the data set. It must be a unique identifier.

Overrides: pdfcomponent.PDFComponent.__init__

setvar(self, var, value)

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Assign data member using PdfFit-style variable.
Used by applyParameters().

var   -- string representation of dataset PdfFit variable.
         Possible values: qdamp, qbroad, dscale
value -- new value of the variable

getvar(self, var)

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Obtain value corresponding to PdfFit dataset variable.
Used by findParameters().

var   -- string representation of dataset PdfFit variable.
         Possible values: qdamp, qbroad, dscale

returns value of var

read(self, filename)

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load data from PDFGetX2 or PDFGetN gr file

filename -- file to read from

returns self

readStr(self, datastring)

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read experimental PDF data from a string

datastring -- string of raw data

returns self

write(self, filename)

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Write experimental PDF data to a file.

filename -- name of file to write to

No return value.

writeStr(self)

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String representation of experimental PDF data.

Return data string.

copy(self, other=None)

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copy self to other. if other is None, create new instance

other -- ref to other object
returns reference to copied object


Class Variable Details [hide private]

persistentItems

Value:
['robs',
 'Gobs',
 'drobs',
 'dGobs',
 'stype',
 'qmax',
 'qdamp',
 'qbroad',
...