__init__() | CDPL.Chem.SurfaceAtomExtractor | |
__init__(SurfaceAtomExtractor extractor) | CDPL.Chem.SurfaceAtomExtractor | |
__init__(AtomContainer cntnr, MolecularGraph parent_molgraph, Fragment frag) | CDPL.Chem.SurfaceAtomExtractor | |
assign(SurfaceAtomExtractor extractor) | CDPL.Chem.SurfaceAtomExtractor | |
DEF_GRID_OVERSIZE (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
DEF_GRID_STEP_SIZE (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
DEF_MIN_SURFACE_ACC (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
DEF_PROBE_RADIUS (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
extract(AtomContainer cntr, MolecularGraph parent_molgraph, Fragment frag) | CDPL.Chem.SurfaceAtomExtractor | |
getAtom3DCoordinatesFunction() | CDPL.Chem.SurfaceAtomExtractor | |
getGridOversize() | CDPL.Chem.SurfaceAtomExtractor | |
getGridStepSize() | CDPL.Chem.SurfaceAtomExtractor | |
getMinSurfaceAccessibility() | CDPL.Chem.SurfaceAtomExtractor | |
getNumTestPoints() | CDPL.Chem.SurfaceAtomExtractor | |
getObjectID() | CDPL.Chem.SurfaceAtomExtractor | |
getProbeRadius() | CDPL.Chem.SurfaceAtomExtractor | |
gridOversize (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
gridStepSize (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
minSurfaceAccessibility (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
numTestPoints (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
objectID (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
probeRadius (defined in CDPL.Chem.SurfaceAtomExtractor) | CDPL.Chem.SurfaceAtomExtractor | static |
setAtom3DCoordinatesFunction(Atom3DCoordinatesFunction func) | CDPL.Chem.SurfaceAtomExtractor | |
setGridOversize(float size) | CDPL.Chem.SurfaceAtomExtractor | |
setGridStepSize(float size) | CDPL.Chem.SurfaceAtomExtractor | |
setMinSurfaceAccessibility(float min_acc) | CDPL.Chem.SurfaceAtomExtractor | |
setNumTestPoints(int num_points) | CDPL.Chem.SurfaceAtomExtractor | |
setProbeRadius(float radius) | CDPL.Chem.SurfaceAtomExtractor | |