BuriednessScore.
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#include <BuriednessScore.hpp>
◆ BuriednessScore()
◆ setProbeRadius()
void CDPL::GRAIL::BuriednessScore::setProbeRadius |
( |
double |
radius | ) |
|
◆ getProbeRadius()
double CDPL::GRAIL::BuriednessScore::getProbeRadius |
( |
| ) |
const |
◆ setMinVdWSurfaceDistance()
void CDPL::GRAIL::BuriednessScore::setMinVdWSurfaceDistance |
( |
double |
dist | ) |
|
◆ getMinVdWSurfaceDistance()
double CDPL::GRAIL::BuriednessScore::getMinVdWSurfaceDistance |
( |
| ) |
const |
◆ setNumTestRays()
void CDPL::GRAIL::BuriednessScore::setNumTestRays |
( |
std::size_t |
num_rays | ) |
|
◆ getNumTestRays()
std::size_t CDPL::GRAIL::BuriednessScore::getNumTestRays |
( |
| ) |
const |
◆ setAtom3DCoordinatesFunction()
Specifies a function for the retrieval of atom 3D-coordinates for buriedness calculation.
- Parameters
-
func | The atom 3D-coordinates function. |
◆ getAtom3DCoordinatesFunction()
◆ operator()()
◆ DEF_PROBE_RADIUS
constexpr double CDPL::GRAIL::BuriednessScore::DEF_PROBE_RADIUS = 8.0 |
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staticconstexpr |
◆ DEF_MIN_VDW_SURFACE_DISTANCE
constexpr double CDPL::GRAIL::BuriednessScore::DEF_MIN_VDW_SURFACE_DISTANCE = 1.0 |
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staticconstexpr |
◆ DEF_NUM_TEST_RAYS
constexpr std::size_t CDPL::GRAIL::BuriednessScore::DEF_NUM_TEST_RAYS = 200 |
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staticconstexpr |
The documentation for this class was generated from the following file: