Package rdkit :: Package Chem :: Module rdchem :: Class QueryAtom

class QueryAtom

 object --+        
          |        
??.instance --+    
              |    
           Atom --+
                  |
                 QueryAtom

The class to store QueryAtoms.
These cannot currently be constructed directly from Python

Instance Methods

[hide private]

ExpandQuery(...)
ExpandQuery( (QueryAtom)self, (QueryAtom)other [, (CompositeQueryType)how=rdkit.Chem.rdchem.CompositeQueryType.COMPOSITE_AND [, (bool)maintainOrder=True]]) -> None : combines the query from other with ours

__init__(...)
Raises an exception...

Inherited from Atom: ClearProp, DescribeQuery, GetAtomicNum, GetBonds, GetBoolProp, GetChiralTag, GetDegree, GetDoubleProp, GetExplicitValence, GetFormalCharge, GetHybridization, GetIdx, GetImplicitValence, GetIntProp, GetIsAromatic, GetIsotope, GetMass, GetMonomerInfo, GetNeighbors, GetNoImplicit, GetNumExplicitHs, GetNumImplicitHs, GetNumRadicalElectrons, GetOwningMol, GetPDBResidueInfo, GetProp, GetPropNames, GetPropsAsDict, GetSmarts, GetSymbol, GetTotalDegree, GetTotalNumHs, GetTotalValence, GetUnsignedProp, HasProp, HasQuery, InvertChirality, IsInRing, IsInRingSize, Match, NeedsUpdatePropertyCache, SetAtomicNum, SetBoolProp, SetChiralTag, SetDoubleProp, SetFormalCharge, SetHybridization, SetIntProp, SetIsAromatic, SetIsotope, SetMonomerInfo, SetNoImplicit, SetNumExplicitHs, SetNumRadicalElectrons, SetProp, SetUnsignedProp, UpdatePropertyCache, __reduce__

Inherited from unreachable.instance: __new__

Class Variables

[hide private]

Inherited from Atom: __instance_size__

Method Details

[hide private]

ExpandQuery(...)


ExpandQuery( (QueryAtom)self, (QueryAtom)other [, (CompositeQueryType)how=rdkit.Chem.rdchem.CompositeQueryType.COMPOSITE_AND [, (bool)maintainOrder=True]]) -> None :
    combines the query from other with ours

    C++ signature :
        void ExpandQuery(RDKit::QueryAtom*,RDKit::QueryAtom const* [,Queries::CompositeQueryType=rdkit.Chem.rdchem.CompositeQueryType.COMPOSITE_AND [,bool=True]])

init(...)
(Constructor)

Raises an exception
This class cannot be instantiated from Python

Overrides: Atom.__init__

class QueryAtom

ExpandQuery(...)

__init__(...) (Constructor)

init(...)
(Constructor)