#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