ChemicalFeatures::FreeChemicalFeature Class Reference

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

#include <FreeChemicalFeature.h>

Inheritance diagram for ChemicalFeatures::FreeChemicalFeature:

List of all members.

Public Member Functions
	FreeChemicalFeature (std::string family, std::string type, const RDGeom::Point3D &loc)
	start with everything specified
	FreeChemicalFeature (std::string family, const RDGeom::Point3D &loc)
	start with family and location specified, leave the type blank
	FreeChemicalFeature ()
	start with everything blank
	FreeChemicalFeature (const std::string &pickle)
	FreeChemicalFeature (const FreeChemicalFeature &other)
	~FreeChemicalFeature ()
const std::string &	getFamily () const
	return our family
const std::string &	getType () const
	return our type
RDGeom::Point3D	getPos () const
	return our position
void	setFamily (const std::string &family)
	set our family
void	setType (const std::string &type)
	set our type
void	setPos (const RDGeom::Point3D &loc)
	set our position
std::string	toString () const
	returns a serialized form of the feature (a pickle)
void	initFromString (const std::string &pickle)
	initialize from a pickle string

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Detailed Description

Class for chemical features that do not orignate from molecules.

Definition at line 17 of file FreeChemicalFeature.h.

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Constructor & Destructor Documentation

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature	(	std::string	family,
		std::string	type,
		const RDGeom::Point3D &	loc
	)			[inline]

start with everything specified

Definition at line 20 of file FreeChemicalFeature.h.

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

start with family and location specified, leave the type blank

Definition at line 26 of file FreeChemicalFeature.h.

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature

(

)

[inline]

start with everything blank

Definition at line 31 of file FreeChemicalFeature.h.

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature

(

const std::string &

pickle

)

[inline, explicit]

Definition at line 35 of file FreeChemicalFeature.h.

References initFromString().

ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature

(

const FreeChemicalFeature &

other

)

[inline]

Definition at line 39 of file FreeChemicalFeature.h.

ChemicalFeatures::FreeChemicalFeature::~FreeChemicalFeature

(

)

[inline]

Definition at line 43 of file FreeChemicalFeature.h.

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Member Function Documentation

const std::string& ChemicalFeatures::FreeChemicalFeature::getFamily

(

)

const [inline, virtual]

return our family

Implements ChemicalFeatures::ChemicalFeature.

Definition at line 46 of file FreeChemicalFeature.h.

const std::string& ChemicalFeatures::FreeChemicalFeature::getType

(

)

const [inline, virtual]

return our type

Implements ChemicalFeatures::ChemicalFeature.

Definition at line 51 of file FreeChemicalFeature.h.

RDGeom::Point3D ChemicalFeatures::FreeChemicalFeature::getPos

(

)

const [inline, virtual]

return our position

Implements ChemicalFeatures::ChemicalFeature.

Definition at line 56 of file FreeChemicalFeature.h.

void ChemicalFeatures::FreeChemicalFeature::setFamily

(

const std::string &

family

)

[inline]

set our family

Definition at line 61 of file FreeChemicalFeature.h.

void ChemicalFeatures::FreeChemicalFeature::setType

(

const std::string &

type

)

[inline]

set our type

Definition at line 66 of file FreeChemicalFeature.h.

void ChemicalFeatures::FreeChemicalFeature::setPos

(

const RDGeom::Point3D &

loc

)

[inline]

set our position

Definition at line 71 of file FreeChemicalFeature.h.

std::string ChemicalFeatures::FreeChemicalFeature::toString

(

)

const

returns a serialized form of the feature (a pickle)

void ChemicalFeatures::FreeChemicalFeature::initFromString

(

const std::string &

pickle

)

initialize from a pickle string

Referenced by FreeChemicalFeature().

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

• FreeChemicalFeature.h

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