Package rdkit :: Package ML :: Package Descriptors :: Module Descriptors :: Class DescriptorCalculator
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Class DescriptorCalculator

source code

Known Subclasses:

abstract base class for descriptor calculators

  

Instance Methods [hide private]
 
__init__(self, *args, **kwargs)
Constructor
source code
 
ShowDescriptors(self)
prints out a list of the descriptors
source code
 
GetDescriptorNames(self)
returns a list of the names of the descriptors this calculator generates
source code
 
SaveState(self, fileName)
Writes this calculator off to a file so that it can be easily loaded later
source code
 
CalcDescriptors(self, what, *args, **kwargs) source code
Method Details [hide private]

SaveState(self, fileName)

source code 
Writes this calculator off to a file so that it can be easily loaded later

**Arguments**

  - fileName: the name of the file to be written