BALL 1.5.0
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#include <BALL/QSAR/surfaceDescriptors.h>
Additional Inherited Members | |
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typedef ResultType | result_type |
typedef ArgumentType | argument_type |
typedef ArgumentType & | argument_reference |
typedef const ArgumentType & | const_argument_reference |
typedef ArgumentType * | argument_pointer |
typedef const ArgumentType * | const_argument_pointer |
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bool | isValid_ (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
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This descriptor returns the fraction of the atomic SAS van der Waals surface, where the atoms are polar. It is calculated by deviding the polar van der Waals surface by the van der Waals surface of the molecule.
Definition at line 463 of file surfaceDescriptors.h.
BALL::RelPolarVdWSurface::RelPolarVdWSurface | ( | ) |
Default Constructor
BALL::RelPolarVdWSurface::RelPolarVdWSurface | ( | const RelPolarVdWSurface & | rps | ) |
Copy constructor
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virtual |
Destructor
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virtual |
Reimplemented from BALL::Descriptor.
RelPolarVdWSurface & BALL::RelPolarVdWSurface::operator= | ( | const RelPolarVdWSurface & | rps | ) |
Assignment operator