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

Class DescriptorCalculator

abstract base class for descriptor calculators

Instance Methods

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

__init__(self, *args, **kwargs)
Constructor

source code

Method Details

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