Chemical Data Processing Library C++ API - Version 1.1.1
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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_DISTANCE | CDPL::GRAIL::BuriednessScore | static |
DEF_NUM_TEST_RAYS | CDPL::GRAIL::BuriednessScore | static |
DEF_PROBE_RADIUS | CDPL::GRAIL::BuriednessScore | static |
getAtom3DCoordinatesFunction() const | CDPL::GRAIL::BuriednessScore | |
getMinVdWSurfaceDistance() const | CDPL::GRAIL::BuriednessScore | |
getNumTestRays() const | CDPL::GRAIL::BuriednessScore | |
getProbeRadius() const | CDPL::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 |