RDKit
Open-source cheminformatics and machine learning.
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AtomIterators.h File Reference

various tools for iterating over a molecule's Atoms. More...

Go to the source code of this file.

Classes

class  RDKit::AtomIterator_< Atom_, Mol_ >
 A general random access iterator. More...
 
class  RDKit::HeteroatomIterator_< Atom_, Mol_ >
 Iterate over heteroatoms, this is bidirectional. More...
 
class  RDKit::AromaticAtomIterator_< Atom_, Mol_ >
 Iterate over aromatic atoms, this is bidirectional. More...
 
class  RDKit::QueryAtomIterator_< Atom_, Mol_ >
 Iterate over atoms matching a query. This is bidirectional. More...
 
class  RDKit::MatchingAtomIterator_< Atom_, Mol_ >
 Iterate over atoms matching a query function. This is bidirectional. More...
 

Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 

Detailed Description

various tools for iterating over a molecule's Atoms.

WARNING: If you go changing the molecule underneath one of these iterators you will be sad...

Definition in file AtomIterators.h.