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