chemfp.cdk\_toolkit module
========================================

.. automodule:: chemfp.cdk_toolkit
    :members:
    :undoc-members:
    :show-inheritance:

    .. attribute:: name

      The string "cdk".

    .. attribute:: software

       The string used in output file metadata to describe this
       version of CDK. For example, "CDK/2.8".

    ..
          Auto-generated using from utils using:
          python fptype_docs_codegen.py cdk --indent 4

    .. attribute:: atom_pairs2d
    
      The available version of the 'CDK-AtomPairs2D' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKAtomPairs2DFingerprintType_v20` with the full type::
        
        CDK-AtomPairs2D/2.0
    
    .. attribute:: daylight
    
      The available version of the 'CDK-Daylight' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKDaylightFingerprintType_v20` with the full type::
        
        CDK-Daylight/2.0 size=1024 searchDepth=7 pathLimit=42000 hashPseudoAtoms=0
    
    .. attribute:: ecfp0
    
      The available version of the 'CDK-ECFP0' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKECFP0FingerprintType_v20` with the full type::
        
        CDK-ECFP0/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: ecfp2
    
      The available version of the 'CDK-ECFP2' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKECFP2FingerprintType_v20` with the full type::
        
        CDK-ECFP2/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: ecfp4
    
      The available version of the 'CDK-ECFP4' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKECFP4FingerprintType_v20` with the full type::
        
        CDK-ECFP4/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: ecfp6
    
      The available version of the 'CDK-ECFP6' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKECFP6FingerprintType_v20` with the full type::
        
        CDK-ECFP6/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: estate
    
      The available version of the 'CDK-EState' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKEStateFingerprintType_v20` with the full type::
        
        CDK-EState/2.0
    
    .. attribute:: extended
    
      The available version of the 'CDK-Extended' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKExtendedFingerprintType_v20` with the full type::
        
        CDK-Extended/2.0 size=1024 searchDepth=7 pathLimit=42000 hashPseudoAtoms=0
    
    .. attribute:: fcfp0
    
      The available version of the 'CDK-FCFP0' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKFCFP0FingerprintType_v20` with the full type::
        
        CDK-FCFP0/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: fcfp2
    
      The available version of the 'CDK-FCFP2' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKFCFP2FingerprintType_v20` with the full type::
        
        CDK-FCFP2/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: fcfp4
    
      The available version of the 'CDK-FCFP4' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKFCFP4FingerprintType_v20` with the full type::
        
        CDK-FCFP4/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: fcfp6
    
      The available version of the 'CDK-FCFP6' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKFCFP6FingerprintType_v20` with the full type::
        
        CDK-FCFP6/2.0 size=1024 perceiveStereochemistry=0
    
    .. attribute:: graph_only
    
      The available version of the 'CDK-GraphOnly' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKGraphOnlyFingerprintType_v20` with the full type::
        
        CDK-GraphOnly/2.0 size=1024 searchDepth=7 pathLimit=42000 hashPseudoAtoms=0
    
    .. attribute:: hybridization
    
      The available version of the 'CDK-Hybridization' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKHybridizationFingerprintType_v20` with the full type::
        
        CDK-Hybridization/2.0 size=1024 searchDepth=7 pathLimit=42000 hashPseudoAtoms=0
    
    .. attribute:: klekota_roth
    
      The available version of the 'CDK-KlekotaRoth' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKKlekotaRothFingerprintType_v20` with the full type::
        
        CDK-KlekotaRoth/2.0
    
    .. attribute:: maccs
    
      The available version of the 'CDK-MACCS' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKMACCSFingerprintType_v20` with the full type::
        
        CDK-MACCS/2.0
    
    .. attribute:: pubchem
    
      The available version of the 'CDK-Pubchem' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKPubchemFingerprintType_v20` with the full type::
        
        CDK-Pubchem/2.0
    
    .. attribute:: shortest_path
    
      The available version of the 'CDK-ShortestPath' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKShortestPathFingerprintType_v27` with the full type::
        
        CDK-ShortestPath/2.7 size=1024
    
    .. attribute:: substructure
    
      The available version of the 'CDK-Substructure' fingerprint type,
      for example, an instance of :class:`chemfp.cdk_types.CDKSubstructureFingerprintType_v20` with the full type::
        
        CDK-Substructure/2.0