Chemical Data Processing Library Python API - Version 1.1.1
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This is the complete list of members for CDPL.GRAIL.GRAILDescriptorCalculator, including all inherited members.
__init__() | CDPL.GRAIL.GRAILDescriptorCalculator | |
__init__(GRAILDescriptorCalculator calc) | CDPL.GRAIL.GRAILDescriptorCalculator | |
assign(GRAILDescriptorCalculator calc) | CDPL.GRAIL.GRAILDescriptorCalculator | |
calculate(Math.Vector3DArray atom_coords, Math.DVector descr, bool update_lig_part=True) | CDPL.GRAIL.GRAILDescriptorCalculator | |
getObjectID() | CDPL.GRAIL.GRAILDescriptorCalculator | |
initLigandData(Chem.MolecularGraph ligand) | CDPL.GRAIL.GRAILDescriptorCalculator | |
initTargetData(Chem.MolecularGraph tgt_env, Chem.Atom3DCoordinatesFunction coords_func, bool tgt_env_changed=True) | CDPL.GRAIL.GRAILDescriptorCalculator | |
LIGAND_DESCRIPTOR_SIZE (defined in CDPL.GRAIL.GRAILDescriptorCalculator) | CDPL.GRAIL.GRAILDescriptorCalculator | static |
objectID (defined in CDPL.GRAIL.GRAILDescriptorCalculator) | CDPL.GRAIL.GRAILDescriptorCalculator | static |
TOTAL_DESCRIPTOR_SIZE (defined in CDPL.GRAIL.GRAILDescriptorCalculator) | CDPL.GRAIL.GRAILDescriptorCalculator | static |