RDKit
Open-source cheminformatics and machine learning.
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...

Namespaces

namespace  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.

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