RDKit: Atom.h File Reference

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Atom.h File Reference

Defines the Atom class and associated typedefs. More...

`#include <iostream>`
`#include <boost/foreach.hpp>`
`#include <RDGeneral/Invariant.h>`
`#include <Query/QueryObjects.h>`
`#include <RDGeneral/types.h>`
`#include <RDGeneral/RDProps.h>`
`#include <GraphMol/details.h>`

Go to the source code of this file.

## Classes
class | RDKit::Atom
| The class for representing atoms. More...

## Namespaces
| RDKit
| Std stuff.

## Functions
void | RDKit::setAtomRLabel (Atom *atm, int rlabel)
| Set the atom's MDL integer RLabel. More...
int | RDKit::getAtomRLabel (const Atom *atm)
void | RDKit::setAtomAlias (Atom *atom, const std::string &alias)
| Set the atom's MDL atom alias. More...
std::string | RDKit::getAtomAlias (const Atom *atom)
void | RDKit::setAtomValue (Atom *atom, const std::string &value)
| Set the atom's MDL atom value. More...
std::string | RDKit::getAtomValue (const Atom *atom)
void | RDKit::setSupplementalSmilesLabel (Atom *atom, const std::string &label)
| Sets the supplemental label that will follow the atom when writing. More...
std::string | RDKit::getSupplementalSmilesLabel (const Atom *atom)
std::ostream & | operator<< (std::ostream &target, const RDKit::Atom &at)
| allows Atom objects to be dumped to streams More...

## Detailed Description

Defines the Atom class and associated typedefs.

Definition in file Atom.h.

## Function Documentation

std::ostream& operator<< | ( | std::ostream & | target,
|  | const RDKit::Atom & | at
| ) |  |

allows Atom objects to be dumped to streams