BALL::RelHydrophobicVdWSurface Class Reference
This descriptor returns the fraction of the atomic SAS van der Waals surface, where the atoms are hydrophobic. More...#include <surfaceDescriptors.h>
Inheritance diagram for BALL::RelHydrophobicVdWSurface:
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Public Member Functions |
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| RelHydrophobicVdWSurface () | |
| Constructors and Desctructors.
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| RelHydrophobicVdWSurface (const RelHydrophobicVdWSurface &rhs) | |
| Copy Constructor. |
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| virtual | ~RelHydrophobicVdWSurface () |
| Destructor. |
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Assignment
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| RelHydrophobicVdWSurface & | operator= (const RelHydrophobicVdWSurface &rhs) |
| Assignment operator. |
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Accessors
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| double | compute (AtomContainer &ac) |
Detailed Description
This descriptor returns the fraction of the atomic SAS van der Waals surface, where the atoms are hydrophobic.It is calculated by deviding the hydrophobic van der Waals surface by the van der Waals surface of the molecule.
Constructor & Destructor Documentation
| BALL::RelHydrophobicVdWSurface::RelHydrophobicVdWSurface | ( | ) |
Constructors and Desctructors.
Default constructor
