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Chemical Data Processing Library Python API - Version 1.2.0
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Chemical Data Processing Library Python API - Version 1.2.0
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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 |
1.9.1