chemfp.openeye\_toolkit module
========================================

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

    .. attribute:: name

      The string "openeye".

    .. attribute:: software

       The string used in output file metadata to describe this
       version of OEChem. For example, "OEChem/20220607".

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

    .. attribute:: circular
    
      The available version of the 'OpenEye-Circular' fingerprint type,
      for example, an instance of :class:`chemfp.openeye_types.OpenEyeCircularFingerprintType_v2` with the full type::
        
        OpenEye-Circular/2 numbits=4096 minradius=0 maxradius=5 atype=Arom|AtmNum|Chiral|EqHalo|FCharge|HCount btype=Order
    
    .. attribute:: maccs166
    
      The available version of the 'OpenEye-MACCS166' fingerprint type,
      for example, an instance of :class:`chemfp.openeye_types.OpenEyeMACCSFingerprintType_v3` with the full type::
        
        OpenEye-MACCS166/3
    
    .. attribute:: mdl_screen
    
      The available version of the 'OpenEye-MDLScreen' fingerprint type,
      for example, an instance of :class:`chemfp.openeye_types.OpenEyeMDLScreenFingerprintType_v1` with the full type::
        
        OpenEye-MDLScreen/1
    
    .. attribute:: molecule_screen
    
      The available version of the 'OpenEye-MoleculeScreen' fingerprint type,
      for example, an instance of :class:`chemfp.openeye_types.OpenEyeMoleculeScreenFingerprintType_v1` with the full type::
        
        OpenEye-MoleculeScreen/1
    
    .. attribute:: path
    
      The available version of the 'OpenEye-Path' fingerprint type,
      for example, an instance of :class:`chemfp.openeye_types.OpenEyePathFingerprintType_v2` with the full type::
        
        OpenEye-Path/2 numbits=4096 minbonds=0 maxbonds=5 atype=Arom|AtmNum|Chiral|EqHalo|FCharge|HvyDeg|Hyb btype=Order|Chiral
    
    .. attribute:: smarts_screen
    
      The available version of the 'OpenEye-SMARTSScreen' fingerprint type,
      for example, an instance of :class:`chemfp.openeye_types.OpenEyeSMARTSScreenFingerprintType_v1` with the full type::
        
        OpenEye-SMARTSScreen/1
    
    .. attribute:: tree
    
      The available version of the 'OpenEye-Tree' fingerprint type,
      for example, an instance of :class:`chemfp.openeye_types.OpenEyeTreeFingerprintType_v2` with the full type::
        
        OpenEye-Tree/2 numbits=4096 minbonds=0 maxbonds=4 atype=Arom|AtmNum|Chiral|FCharge|HvyDeg|Hyb btype=Order