ParallelPiPiInteractionScore.
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#include <ParallelPiPiInteractionScore.hpp>
◆ SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated ParallelPiPiInteractionScore
instances.
◆ DistanceScoringFunction
◆ AngleScoringFunction
◆ ParallelPiPiInteractionScore()
Constructs a ParallelPiPiInteractionScore
functor with the specified constraints.
- Parameters
-
min_v_dist | The minimum allowed distance of the two feature-positions orthogonal to the ring-planes. |
max_v_dist | The maximum allowed distance of the two feature-positions orthogonal to the ring-planes. |
max_h_dist | The maximum allowed distance of the feature-position along the their ring-planes. |
max_ang | The maximum allowed angle deviation from 0° of the two ring-plane orientation vectors. |
◆ getMinVDistance()
double CDPL::Pharm::ParallelPiPiInteractionScore::getMinVDistance |
( |
| ) |
const |
◆ getMaxVDistance()
double CDPL::Pharm::ParallelPiPiInteractionScore::getMaxVDistance |
( |
| ) |
const |
◆ getMaxHDistance()
double CDPL::Pharm::ParallelPiPiInteractionScore::getMaxHDistance |
( |
| ) |
const |
◆ getMaxAngle()
double CDPL::Pharm::ParallelPiPiInteractionScore::getMaxAngle |
( |
| ) |
const |
◆ setDistanceScoringFunction()
◆ setAngleScoringFunction()
void CDPL::Pharm::ParallelPiPiInteractionScore::setAngleScoringFunction |
( |
const AngleScoringFunction & |
func | ) |
|
◆ operator()() [1/2]
double CDPL::Pharm::ParallelPiPiInteractionScore::operator() |
( |
const Feature & |
ftr1, |
|
|
const Feature & |
ftr2 |
|
) |
| const |
|
virtual |
◆ operator()() [2/2]
◆ DEF_MAX_H_DISTANCE
constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MAX_H_DISTANCE = 2.8 |
|
staticconstexpr |
◆ DEF_MIN_V_DISTANCE
constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MIN_V_DISTANCE = 3.0 |
|
staticconstexpr |
◆ DEF_MAX_V_DISTANCE
constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MAX_V_DISTANCE = 5.5 |
|
staticconstexpr |
◆ DEF_MAX_ANGLE
constexpr double CDPL::Pharm::ParallelPiPiInteractionScore::DEF_MAX_ANGLE = 20.0 |
|
staticconstexpr |
The documentation for this class was generated from the following file: