BALL::PositiveVdWSurface Class Reference
#include <BALL/QSAR/surfaceDescriptors.h>
Inheritance diagram for BALL::PositiveVdWSurface:
Public Member Functions | |
| BALL_CREATE (PositiveVdWSurface) | |
Constructors and Destructors | |
| PositiveVdWSurface () | |
| PositiveVdWSurface (const PositiveVdWSurface &ps) | |
| virtual | ~PositiveVdWSurface () |
Assignment | |
| PositiveVdWSurface & | operator= (const PositiveVdWSurface &ps) |
Detailed Description
This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the atoms have a positive partial charge.
Definition at line 21 of file surfaceDescriptors.h.
Constructor & Destructor Documentation
| BALL::PositiveVdWSurface::PositiveVdWSurface | ( | ) |
Default constructor
| BALL::PositiveVdWSurface::PositiveVdWSurface | ( | const PositiveVdWSurface & | ps | ) |
Copy constrcutor
| virtual BALL::PositiveVdWSurface::~PositiveVdWSurface | ( | ) | [virtual] |
Destructor
Member Function Documentation
| BALL::PositiveVdWSurface::BALL_CREATE | ( | PositiveVdWSurface | ) |
| PositiveVdWSurface& BALL::PositiveVdWSurface::operator= | ( | const PositiveVdWSurface & | ps | ) |
Assignment operator
