#include <BALL/QSAR/simpleDescriptors.h>
Public Member Functions | |
Constructors and Destructors | |
| NumberOfRotatableBonds () | |
| NumberOfRotatableBonds (const NumberOfRotatableBonds &nrb) | |
| virtual | ~NumberOfRotatableBonds () |
Assignment | |
| NumberOfRotatableBonds & | operator= (const NumberOfRotatableBonds &nrb) |
This descriptor counts the number of rotatable bonds, a bond ia rotatble if it is heavy, not in a ring and not bounds lone atoms like halogens.
| BALL::NumberOfRotatableBonds::NumberOfRotatableBonds | ( | ) |
Default constructor
| BALL::NumberOfRotatableBonds::NumberOfRotatableBonds | ( | const NumberOfRotatableBonds & | nrb | ) |
Copy constructor
| virtual BALL::NumberOfRotatableBonds::~NumberOfRotatableBonds | ( | ) | [virtual] |
Destructors
| NumberOfRotatableBonds& BALL::NumberOfRotatableBonds::operator= | ( | const NumberOfRotatableBonds & | nrb | ) |
Assignment operator