Package rdkit :: Package ML :: Package Data :: Module MLData :: Class MLDataSet
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Class MLDataSet

source code

object --+
         |
        MLDataSet
Known Subclasses:

A data set for holding general data (floats, ints, and strings)

**Note**
  this is intended to be a read-only data structure
  (i.e. after calling the constructor you cannot touch it)

Instance Methods [hide private]
 
__init__(self, data, nVars=None, nPts=None, nPossibleVals=None, qBounds=None, varNames=None, ptNames=None, nResults=1)
Constructor
source code
 
_CalcNPossible(self, data)
calculates the number of possible values of each variable (where possible)
source code
 
GetNResults(self) source code
 
GetNVars(self) source code
 
GetNPts(self) source code
 
GetNPossibleVals(self) source code
 
GetQuantBounds(self) source code
 
__getitem__(self, idx) source code
 
__setitem__(self, idx, val) source code
 
GetNamedData(self)
returns a list of named examples
source code
 
GetAllData(self)
returns a *copy* of the data
source code
 
GetInputData(self)
returns the input data
source code
 
GetResults(self)
Returns the result fields from each example
source code
 
GetVarNames(self) source code
 
GetPtNames(self) source code
 
AddPoint(self, pt) source code
 
AddPoints(self, pts, names) source code

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

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, data, nVars=None, nPts=None, nPossibleVals=None, qBounds=None, varNames=None, ptNames=None, nResults=1)
(Constructor)

source code 
Constructor

**Arguments**

  - data: a list of lists containing the data. The data are copied, so don't worry
        about us overwriting them.

  - nVars: the number of variables

  - nPts: the number of points

  - nPossibleVals: an list containing the number of possible values
                 for each variable (should contain 0 when not relevant)
                 This is _nVars_ long

  - qBounds: a list of lists containing quantization bounds for variables
           which are to be quantized (note, this class does not quantize
           the variables itself, it merely stores quantization bounds.
           an empty sublist indicates no quantization for a given variable
           This is _nVars_ long

  - varNames: a list of the names of the variables.
           This is _nVars_ long

  - ptNames: the names (labels) of the individual data points
     This is _nPts_ long
     
  - nResults: the number of results columns in the data lists.  This is usually
              1, but can be higher.

Overrides: object.__init__

_CalcNPossible(self, data)

source code 
calculates the number of possible values of each variable (where possible)

**Arguments**

   -data: a list of examples to be used

**Returns**

   a list of nPossible values for each variable

GetNamedData(self)

source code 
returns a list of named examples

**Note**

  a named example is the result of prepending the example
   name to the data list
   

GetInputData(self)

source code 
returns the input data

**Note**

  _inputData_ means the examples without their result fields
   (the last _NResults_ entries)