#include <BALL/QSAR/surfaceDescriptors.h>
Public Member Functions | |
Constructors and Destructors | |
| NegativePolarVdWSurface () | |
| NegativePolarVdWSurface (const NegativePolarVdWSurface &nps) | |
| virtual | ~NegativePolarVdWSurface () |
Assigment | |
| NegativePolarVdWSurface & | operator= (const NegativePolarVdWSurface &nps) |
This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the partial charge of the atom is negative and the atom is a polar atom.
| BALL::NegativePolarVdWSurface::NegativePolarVdWSurface | ( | ) |
Default constructor
| BALL::NegativePolarVdWSurface::NegativePolarVdWSurface | ( | const NegativePolarVdWSurface & | nps | ) |
Copy constructor
| virtual BALL::NegativePolarVdWSurface::~NegativePolarVdWSurface | ( | ) | [virtual] |
Destructor
| NegativePolarVdWSurface& BALL::NegativePolarVdWSurface::operator= | ( | const NegativePolarVdWSurface & | nps | ) |
Assignment operator