BALL::ZagrebIndex Class Reference
#include <BALL/QSAR/connectivityDescriptors.h>
Inheritance diagram for BALL::ZagrebIndex:
Public Member Functions | |
Constructors and Destructors | |
| ZagrebIndex () | |
| ZagrebIndex (const ZagrebIndex &zi) | |
| virtual | ~ZagrebIndex () |
Assignment | |
| ZagrebIndex & | operator= (const ZagrebIndex &zi) |
Accessors | |
| double | compute (AtomContainer &ac) |
Detailed Description
This descriptor returns the Zagreb Index, which is calculated as: $ d_i^2$, over all heavy atoms
Constructor & Destructor Documentation
| BALL::ZagrebIndex::ZagrebIndex | ( | ) |
Default constructor
| BALL::ZagrebIndex::ZagrebIndex | ( | const ZagrebIndex & | zi | ) |
Copy constructor
| virtual BALL::ZagrebIndex::~ZagrebIndex | ( | ) | [virtual] |
Destructor
Member Function Documentation
| double BALL::ZagrebIndex::compute | ( | AtomContainer & | ac | ) | [virtual] |
Reimplemented from BALL::Descriptor.
| ZagrebIndex& BALL::ZagrebIndex::operator= | ( | const ZagrebIndex & | zi | ) |
Assignment operator