Chemical Data Processing Library Python API - Version 1.3.0
CDPL.Descr.KuvekPocketDescriptorCalculator Member List

This is the complete list of members for CDPL.Descr.KuvekPocketDescriptorCalculator, including all inherited members.

__init__(float sphere_radius=20.0, int num_test_vecs=492, float max_atom_to_sphr_surf_dist=2.0)CDPL.Descr.KuvekPocketDescriptorCalculator
__init__(KuvekPocketDescriptorCalculator calc)CDPL.Descr.KuvekPocketDescriptorCalculator
assign(KuvekPocketDescriptorCalculator calc)CDPL.Descr.KuvekPocketDescriptorCalculator
atomChargeFunction (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
atomCoordsFunction (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
calculate(Math.Vector3D sphere_ctr, Chem.AtomContainer atoms, Math.DVector descr)CDPL.Descr.KuvekPocketDescriptorCalculator
DEF_MAX_ATOM_TO_SPHERE_SURF_DIST (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
DEF_NUM_TEST_VECTORS (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
DEF_PROBE_RADIUS (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
getAtom3DCoordinatesFunction()CDPL.Descr.KuvekPocketDescriptorCalculator
getAtomChargeFunction()CDPL.Descr.KuvekPocketDescriptorCalculator
getMaxAtomToSphereSurfaceDistance()CDPL.Descr.KuvekPocketDescriptorCalculator
getNumTestVectors()CDPL.Descr.KuvekPocketDescriptorCalculator
getObjectID()CDPL.Descr.KuvekPocketDescriptorCalculator
getSphereRadius()CDPL.Descr.KuvekPocketDescriptorCalculator
getTestVector(int idx)CDPL.Descr.KuvekPocketDescriptorCalculator
maxAtomToSphereSurfaceDistance (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
numTestVectors (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
objectID (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
setAtom3DCoordinatesFunction(Chem.Atom3DCoordinatesFunction func)CDPL.Descr.KuvekPocketDescriptorCalculator
setAtomChargeFunction(ForceField.MMFF94AtomChargeFunction func)CDPL.Descr.KuvekPocketDescriptorCalculator
setMaxAtomToSphereSurfaceDistance(float radius)CDPL.Descr.KuvekPocketDescriptorCalculator
setNumTestVectors(int num_vectors)CDPL.Descr.KuvekPocketDescriptorCalculator
setSphereRadius(float radius)CDPL.Descr.KuvekPocketDescriptorCalculator
sphereRadius (defined in CDPL.Descr.KuvekPocketDescriptorCalculator)CDPL.Descr.KuvekPocketDescriptorCalculatorstatic
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