Chemical Data Processing Library C++ API - Version 1.2.3
CDPL::GRAIL::BuriednessScore Member List

This is the complete list of members for CDPL::GRAIL::BuriednessScore, including all inherited members.

BuriednessScore(double probe_radius=DEF_PROBE_RADIUS, double min_vdw_surf_dist=DEF_MIN_VDW_SURFACE_DISTANCE, std::size_t num_test_rays=DEF_NUM_TEST_RAYS)CDPL::GRAIL::BuriednessScore
DEF_MIN_VDW_SURFACE_DISTANCECDPL::GRAIL::BuriednessScorestatic
DEF_NUM_TEST_RAYSCDPL::GRAIL::BuriednessScorestatic
DEF_PROBE_RADIUSCDPL::GRAIL::BuriednessScorestatic
getAtom3DCoordinatesFunction() constCDPL::GRAIL::BuriednessScore
getMinVdWSurfaceDistance() constCDPL::GRAIL::BuriednessScore
getNumTestRays() constCDPL::GRAIL::BuriednessScore
getProbeRadius() constCDPL::GRAIL::BuriednessScore
operator()(const Math::Vector3D &pos, const Chem::AtomContainer &atoms)CDPL::GRAIL::BuriednessScore
setAtom3DCoordinatesFunction(const Chem::Atom3DCoordinatesFunction &func)CDPL::GRAIL::BuriednessScore
setMinVdWSurfaceDistance(double dist)CDPL::GRAIL::BuriednessScore
setNumTestRays(std::size_t num_rays)CDPL::GRAIL::BuriednessScore
setProbeRadius(double radius)CDPL::GRAIL::BuriednessScore
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