BALL
1.4.1
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#include <BALL/QSAR/surfaceDescriptors.h>
Public Member Functions | |
BALL_CREATE (PositiveVdWSurface) | |
Constructors and Destructors | |
PositiveVdWSurface () | |
PositiveVdWSurface (const PositiveVdWSurface &ps) | |
virtual | ~PositiveVdWSurface () |
Assignment | |
PositiveVdWSurface & | operator= (const PositiveVdWSurface &ps) |
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.
Default constructor
Copy constrcutor
virtual BALL::PositiveVdWSurface::~PositiveVdWSurface | ( | ) | [virtual] |
Destructor
PositiveVdWSurface& BALL::PositiveVdWSurface::operator= | ( | const PositiveVdWSurface & | ps | ) |
Assignment operator