BALL::NumberOfHydrophobicAtoms Class Reference
#include <BALL/QSAR/simpleDescriptors.h>
Inheritance diagram for BALL::NumberOfHydrophobicAtoms:
Public Member Functions | |
Constructors and Destructors | |
| NumberOfHydrophobicAtoms () | |
| NumberOfHydrophobicAtoms (const NumberOfHydrophobicAtoms &nha) | |
| NumberOfHydrophobicAtoms (const String &expression) | |
| virtual | ~NumberOfHydrophobicAtoms () |
Acessors | |
| const String & | getExpression () const |
| void | setExpression (const String &expression) |
| double | compute (AtomContainer &ac) |
Assignment | |
| NumberOfHydrophobicAtoms & | operator= (const NumberOfHydrophobicAtoms &nha) |
Private Attributes | |
| String | expression_ |
Detailed Description
This descriptor return the number of hydrophobic atoms. If another set of hydrophobic atoms should be considered, another expression can be set via setExpression, with an Expression string as parameter.
Definition at line 1226 of file simpleDescriptors.h.
Constructor & Destructor Documentation
| BALL::NumberOfHydrophobicAtoms::NumberOfHydrophobicAtoms | ( | ) |
Default constructur
| BALL::NumberOfHydrophobicAtoms::NumberOfHydrophobicAtoms | ( | const NumberOfHydrophobicAtoms & | nha | ) |
Copy constructor
| BALL::NumberOfHydrophobicAtoms::NumberOfHydrophobicAtoms | ( | const String & | expression | ) |
Expression constructor
| virtual BALL::NumberOfHydrophobicAtoms::~NumberOfHydrophobicAtoms | ( | ) | [virtual] |
Destructor
Member Function Documentation
| double BALL::NumberOfHydrophobicAtoms::compute | ( | AtomContainer & | ac | ) | [virtual] |
Reimplemented from BALL::Descriptor.
| const String& BALL::NumberOfHydrophobicAtoms::getExpression | ( | ) | const |
| NumberOfHydrophobicAtoms& BALL::NumberOfHydrophobicAtoms::operator= | ( | const NumberOfHydrophobicAtoms & | nha | ) |
Assignment operator
| void BALL::NumberOfHydrophobicAtoms::setExpression | ( | const String & | expression | ) |
Member Data Documentation
Definition at line 1283 of file simpleDescriptors.h.
