rdkit.ML.Descriptors.DescriptorsCOM.DescriptorServer

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

source code

    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']