RDKit: ChemicalFeatures::FreeChemicalFeature Class Reference

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ChemicalFeatures::FreeChemicalFeature Class Reference

Class for chemical features that do not orignate from molecules. More...

`#include <FreeChemicalFeature.h>`

Inheritance diagram for ChemicalFeatures::FreeChemicalFeature:

## Public Member Functions
| FreeChemicalFeature (const std::string &family, std::string type, const RDGeom::Point3D &loc, int id=-1)
| start with everything specified More...
| FreeChemicalFeature (const std::string &family, const RDGeom::Point3D &loc)
| start with family and location specified, leave the type blank More...
| FreeChemicalFeature ()
| start with everything blank More...
| FreeChemicalFeature (const std::string &pickle)
| FreeChemicalFeature (const FreeChemicalFeature &other)
| ~FreeChemicalFeature ()
int | getId () const
| return our id More...
const std::string & | getFamily () const
| return our family More...
const std::string & | getType () const
| return our type More...
RDGeom::Point3D | getPos () const
| return our position More...
void | setId (const int id)
| set our id More...
void | setFamily (const std::string &family)
| set our family More...
void | setType (const std::string &type)
| set our type More...
void | setPos (const RDGeom::Point3D &loc)
| set our position More...
std::string | toString () const
| returns a serialized form of the feature (a pickle) More...
void | initFromString (const std::string &pickle)
| initialize from a pickle string More...
Public Member Functions inherited from ChemicalFeatures::ChemicalFeature
| ChemicalFeature ()
virtual | ~ChemicalFeature ()

## Detailed Description

Class for chemical features that do not orignate from molecules.

Definition at line 21 of file FreeChemicalFeature.h.

## Constructor & Destructor Documentation

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature | ( | const std::string & | family,
|  | std::string | type,
|  | const RDGeom::Point3D & | loc,
|  | int | id = `-1`
| ) |  |
| inline

start with everything specified

Definition at line 24 of file FreeChemicalFeature.h.

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature | ( | const std::string & | family,
|  | const RDGeom::Point3D & | loc
| ) |  |
| inline

start with family and location specified, leave the type blank

Definition at line 29 of file FreeChemicalFeature.h.

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature | ( |  | ) |
| inline

start with everything blank

Definition at line 33 of file FreeChemicalFeature.h.

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature | ( | const std::string & | pickle | ) |
| inlineexplicit

Definition at line 39 of file FreeChemicalFeature.h.

References initFromString().

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature | ( | const FreeChemicalFeature & | other | ) |
| inline

Definition at line 43 of file FreeChemicalFeature.h.

ChemicalFeatures::FreeChemicalFeature::~FreeChemicalFeature | ( |  | ) |
| inline

Definition at line 49 of file FreeChemicalFeature.h.

## Member Function Documentation

const std::string& ChemicalFeatures::FreeChemicalFeature::getFamily | ( |  | ) | const
| inlinevirtual

return our family

Implements ChemicalFeatures::ChemicalFeature.

Definition at line 55 of file FreeChemicalFeature.h.

int ChemicalFeatures::FreeChemicalFeature::getId | ( |  | ) | const
| inlinevirtual

return our id

Implements ChemicalFeatures::ChemicalFeature.

Definition at line 52 of file FreeChemicalFeature.h.

RDGeom::Point3D ChemicalFeatures::FreeChemicalFeature::getPos | ( |  | ) | const
| inlinevirtual

return our position

Implements ChemicalFeatures::ChemicalFeature.

Definition at line 61 of file FreeChemicalFeature.h.

const std::string& ChemicalFeatures::FreeChemicalFeature::getType | ( |  | ) | const
| inlinevirtual

return our type

Implements ChemicalFeatures::ChemicalFeature.

Definition at line 58 of file FreeChemicalFeature.h.

void ChemicalFeatures::FreeChemicalFeature::initFromString | ( | const std::string & | pickle | ) |

initialize from a pickle string

Referenced by FreeChemicalFeature().

void ChemicalFeatures::FreeChemicalFeature::setFamily | ( | const std::string & | family | ) |
| inline

set our family

Definition at line 67 of file FreeChemicalFeature.h.

void ChemicalFeatures::FreeChemicalFeature::setId | ( | const int | id | ) |
| inline

set our id

Definition at line 64 of file FreeChemicalFeature.h.

void ChemicalFeatures::FreeChemicalFeature::setPos | ( | const RDGeom::Point3D & | loc | ) |
| inline

set our position

Definition at line 73 of file FreeChemicalFeature.h.

void ChemicalFeatures::FreeChemicalFeature::setType | ( | const std::string & | type | ) |
| inline

set our type

Definition at line 70 of file FreeChemicalFeature.h.

std::string ChemicalFeatures::FreeChemicalFeature::toString | ( |  | ) | const

returns a serialized form of the feature (a pickle)

The documentation for this class was generated from the following file:

- FreeChemicalFeature.h