Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::Chem::SurfaceAtomExtractor Member List

This is the complete list of members for CDPL::Chem::SurfaceAtomExtractor, including all inherited members.

DEF_GRID_OVERSIZECDPL::Chem::SurfaceAtomExtractorstatic
DEF_GRID_STEP_SIZECDPL::Chem::SurfaceAtomExtractorstatic
DEF_MIN_SURFACE_ACCCDPL::Chem::SurfaceAtomExtractorstatic
DEF_NUM_TEST_POINTSCDPL::Chem::SurfaceAtomExtractorstatic
DEF_PROBE_RADIUSCDPL::Chem::SurfaceAtomExtractorstatic
extract(const AtomContainer &cntnr, const MolecularGraph &parent_molgraph, Fragment &frag)CDPL::Chem::SurfaceAtomExtractor
getAtom3DCoordinatesFunction() constCDPL::Chem::SurfaceAtomExtractor
getGridOversize() constCDPL::Chem::SurfaceAtomExtractor
getGridStepSize() constCDPL::Chem::SurfaceAtomExtractor
getMinSurfaceAccessibility() constCDPL::Chem::SurfaceAtomExtractor
getNumTestPoints() constCDPL::Chem::SurfaceAtomExtractor
getProbeRadius() constCDPL::Chem::SurfaceAtomExtractor
setAtom3DCoordinatesFunction(const Atom3DCoordinatesFunction &func)CDPL::Chem::SurfaceAtomExtractor
setGridOversize(double size)CDPL::Chem::SurfaceAtomExtractor
setGridStepSize(double size)CDPL::Chem::SurfaceAtomExtractor
setMinSurfaceAccessibility(double min_acc)CDPL::Chem::SurfaceAtomExtractor
setNumTestPoints(std::size_t num_points)CDPL::Chem::SurfaceAtomExtractor
setProbeRadius(double radius)CDPL::Chem::SurfaceAtomExtractor
SurfaceAtomExtractor()CDPL::Chem::SurfaceAtomExtractor
SurfaceAtomExtractor(const AtomContainer &cntnr, const MolecularGraph &parent_molgraph, Fragment &frag)CDPL::Chem::SurfaceAtomExtractor
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