Package schrodinger :: Package structutils :: Module filter :: Class SmartsFilter

Class SmartsFilter

object --+    
         |    
    Filter --+
             |
            SmartsFilter

Check if a structure satisfies a given list of SMARTS filters. Supports reading canvasSearch rule files.

Nested Classes

_mol_class
The Molecule class.

Instance Methods

readFile(self, fh, delimiter='\t')
Add filter conditions given a file-like object.

Inherited from Filter: __init__, append, checkStructure, filter, readFileName

Inherited from Filter (private): _adaptStructure

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

_mol_adapter = functools.partial(rdkit_adapter.to_rdkit, inclu...
hash(x)

Properties

Inherited from object: __class__

Method Details

Add filter conditions given a file-like object. Not implemented in the base class.

Class Variable Details

hash(x)

Value:

functools.partial(rdkit_adapter.to_rdkit, include_properties= False, i
nclude_coordinates= False)