BALL::Lipophilic Class Reference
#include <BALL/SCORING/COMPONENTS/lipophilic.h>
Inheritance diagram for BALL::Lipophilic:
Classes | |
| struct | Default |
| struct | Option |
Public Member Functions | |
Constructors and Destructors | |
| Lipophilic () | |
| Lipophilic (ScoringFunction &sf) | |
| Lipophilic (const Lipophilic &li) | |
| virtual | ~Lipophilic () |
Assignment | |
| const Lipophilic & | operator= (const Lipophilic &li) |
| virtual void | clear () |
Predicates. | |
| bool | operator== (const Lipophilic &li) const |
Setup Methods | |
| virtual bool | setup () |
Accessors | |
| virtual double | calculateScore () |
Private Attributes | |
| std::vector< std::pair< const Atom *, const Atom * > > | possible_lipophilic_interactions_ |
| double | r1_offset_ |
| double | r2_offset_ |
| bool | write_interactions_file_ |
| Size | verbosity_ |
Detailed Description
Fresno lipophilic component. { Definition:} {BALL/SCORING/COMMON/scoringComponent.h}
Constructor & Destructor Documentation
| BALL::Lipophilic::Lipophilic | ( | ) |
Default constructor.
| BALL::Lipophilic::Lipophilic | ( | ScoringFunction & | sf | ) |
Constructor.
| BALL::Lipophilic::Lipophilic | ( | const Lipophilic & | li | ) |
Copy constructor
| virtual BALL::Lipophilic::~Lipophilic | ( | ) | [virtual] |
Destructor.
Member Function Documentation
| virtual double BALL::Lipophilic::calculateScore | ( | ) | [virtual] |
Calculates and returns the component's energy.
Reimplemented from BALL::ScoringComponent.
| virtual void BALL::Lipophilic::clear | ( | ) | [virtual] |
Clear method.
Reimplemented from BALL::ScoringComponent.
| const Lipophilic& BALL::Lipophilic::operator= | ( | const Lipophilic & | li | ) |
Assignment.
| bool BALL::Lipophilic::operator== | ( | const Lipophilic & | li | ) | const |
| virtual bool BALL::Lipophilic::setup | ( | ) | [virtual] |
Setup method.
Reimplemented from BALL::ScoringComponent.
Member Data Documentation
std::vector< std::pair<const Atom*, const Atom*> > BALL::Lipophilic::possible_lipophilic_interactions_ [private] |
double BALL::Lipophilic::r1_offset_ [private] |
double BALL::Lipophilic::r2_offset_ [private] |
Size BALL::Lipophilic::verbosity_ [private] |