Package rdkit :: Package ML :: Package Descriptors :: Module DescriptorsCOM :: Class DescriptorServer

Class DescriptorServer

exposes an interface for descriptor calculator COM servers

This interface does not support modifying the calculator, only
 classifying new examples

**Public Methods**

  - LoadCalculator

  - CalcDescriptors

  - GetDescriptorNames

  - Close
  
**Public Attributes**

  None
 
**ProgID**

  RD.DescCalc

Instance Methods

[hide private]

Close(self)
Blows out the local calculator

source code

LoadCalculator(self, fileName)
Loads a (pickled) calculator from a file

source code

GetDescriptorNames(self)
returns a list of the names of the descriptors this calculator generates

source code

CalcDescriptors(self, argVect, colNames)
Calculates the descriptors for a new composition

source code

Class Variables

[hide private]

_public_methods_ = ['LoadCalculator', 'CalcDescriptors', 'GetD...

_public_attrs_ = []

_reg_clsid_ = "{2DEC34F0-7FBA-4752-8BF7-65E4D81B46E4}"

_reg_progid_ = "RD.DescCalc"

Method Details

[hide private]

Close(self)

source code

Blows out the local calculator

**Note**

  _LoadCalculator()_ must be called after this for further use of the
  calculator.

LoadCalculator(self, fileName)

source code

Loads a (pickled) calculator from a file

**Arguments**

  - fileName: the name of the file to load

CalcDescriptors(self, argVect, colNames)

source code

Calculates the descriptors for a new composition

**Arguments**

  - argVect: a list of values

  - colNames: the names of the columns in argVect

**Returns**

 a list of descriptor values

**Note**

  - colNames should include the names of all composition descriptors
    returned by any compound descriptors in the calculator

Class Variable Details

[hide private]

_public_methods_

Value:

['LoadCalculator', 'CalcDescriptors', 'GetDescriptorNames', 'Close']