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Package rdkit :: Package Chem :: Package Pharm2D :: Module SigFactory :: Class SigFactory
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Class SigFactory

source code

object --+
         |
        SigFactory



SigFactory's are used by creating one, setting the relevant
parameters, then calling the GetSignature() method each time a
signature is required.
Instance Methods [hide private]
 
__init__(self, featFactory, useCounts=False, minPointCount=2, maxPointCount=3, shortestPathsOnly=True, includeBondOrder=False, skipFeats=None, trianglePruneBins=True)
x.__init__(...) initializes x; see help(type(x)) for signature		 source code
 
SetBins(self, bins)
bins should be a list of 2-tuples		 source code
 
GetBins(self) source code
 
GetNumBins(self) source code
 
GetSignature(self) source code
 
_GetBitSummaryData(self, bitIdx) source code
 
GetBitDescriptionAsText(self, bitIdx, includeBins=0, fullPage=1)
returns text with a description of the bit		 source code
 
GetBitDescription(self, bitIdx)
returns a text description of the bit		 source code
 
GetFeatFamilies(self) source code
 
GetMolFeats(self, mol) source code
 
GetBitIdx(self, featIndices, dists, sortIndices=True)
returns the index for a pharmacophore described using a set of feature indices and distances		 source code
 
GetBitInfo(self, idx)
returns information about the given bit		 source code
 
Init(self)
Initializes internal parameters.		 source code
 
GetSigSize(self) source code

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

Class Variables [hide private]
  _findBinIdx = cUtils.FindBinIdx
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, featFactory, useCounts=False, minPointCount=2, maxPointCount=3, shortestPathsOnly=True, includeBondOrder=False, skipFeats=None, trianglePruneBins=True)
(Constructor)

source code  
x.__init__(...) initializes x; see help(type(x)) for signature
Overrides: object.__init__
(inherited documentation)

GetBitDescriptionAsText(self, bitIdx, includeBins=0, fullPage=1)

source code  
returns text with a description of the bit

**Arguments**

  - bitIdx: an integer bit index

  - includeBins: (optional) if nonzero, information about the bins will be
    included as well

  - fullPage: (optional) if nonzero, html headers and footers will
    be included (so as to make the output a complete page)

**Returns**

  a string with the HTML

GetBitDescription(self, bitIdx)

source code  
returns a text description of the bit

**Arguments**

  - bitIdx: an integer bit index

**Returns**

  a string

GetBitIdx(self, featIndices, dists, sortIndices=True)

source code  
returns the index for a pharmacophore described using a set of
  feature indices and distances

**Arguments***

  - featIndices: a sequence of feature indices

  - dists: a sequence of distance between the features, only the
    unique distances should be included, and they should be in the
    order defined in Utils.

  - sortIndices : sort the indices

**Returns**

  the integer bit index

GetBitInfo(self, idx)

source code  
returns information about the given bit

**Arguments**

  - idx: the bit index to be considered

**Returns**

  a 3-tuple:

    1) the number of points in the pharmacophore

    2) the proto-pharmacophore (tuple of pattern indices)

    3) the scaffold (tuple of distance indices)

Init(self)

source code  
Initializes internal parameters.  This **must** be called after
making any changes to the signature parameters

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