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 (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 | |
Detailed Description
Class for chemical features that do not orignate from molecules.Definition at line 17 of file FreeChemicalFeature.h.
Constructor & Destructor Documentation
| ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature | ( | std::string | family, | |
| std::string | type, | |||
| const RDGeom::Point3D & | loc | |||
| ) | [inline] |
| 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] |
| ChemicalFeatures::FreeChemicalFeature::FreeChemicalFeature | ( | const std::string & | pickle | ) | [inline, explicit] |
| 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.
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] |
| void ChemicalFeatures::FreeChemicalFeature::setType | ( | const std::string & | type | ) | [inline] |
| void ChemicalFeatures::FreeChemicalFeature::setPos | ( | const RDGeom::Point3D & | loc | ) | [inline] |
| std::string ChemicalFeatures::FreeChemicalFeature::toString | ( | ) | const |
returns a serialized form of the feature (a pickle)
| void ChemicalFeatures::FreeChemicalFeature::initFromString | ( | const std::string & | pickle | ) |
The documentation for this class was generated from the following file:
