| AR_AR_SCORE_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| AR_AR_SCORE_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| AR_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| AR_PI_SCORE_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| AR_PI_SCORE_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| calculate(const Math::Vector3DArray &atom_coords, Math::DVector &descr, bool update_lig_part=true) | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ElementIndex enum name | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ENV_HBA_OCC_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ENV_HBA_OCC_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ENV_HBD_OCC_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ENV_HBD_OCC_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ES_ENERGY enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ES_ENERGY_SQRD_DIST enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| GRAILDescriptorCalculator() | CDPL::GRAIL::GRAILDescriptorCalculator | |
| GRAILDescriptorCalculator(const GRAILDescriptorCalculator &calc) | CDPL::GRAIL::GRAILDescriptorCalculator | |
| H_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| H_H_SCORE_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| H_H_SCORE_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| HBA_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| HBA_HBD_SCORE_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| HBA_HBD_SCORE_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| HBD_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| HBD_HBA_SCORE_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| HBD_HBA_SCORE_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| HVY_ATOM_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| initLigandData(const Chem::MolecularGraph &ligand) | CDPL::GRAIL::GRAILDescriptorCalculator | |
| initTargetData(const Chem::MolecularGraph &tgt_env, const Chem::Atom3DCoordinatesFunction &coords_func, bool tgt_env_changed=true) | CDPL::GRAIL::GRAILDescriptorCalculator | |
| LIGAND_DESCRIPTOR_SIZE | CDPL::GRAIL::GRAILDescriptorCalculator | static |
| LOGP enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| NI_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| operator=(const GRAILDescriptorCalculator &calc) | CDPL::GRAIL::GRAILDescriptorCalculator | |
| PI_AR_SCORE_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| PI_AR_SCORE_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| PI_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ROT_BOND_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| SharedPointer typedef | CDPL::GRAIL::GRAILDescriptorCalculator | |
| TOTAL_DESCRIPTOR_SIZE | CDPL::GRAIL::GRAILDescriptorCalculator | static |
| TOTAL_HYD enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| TPSA enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| VDW_ENERGY_ATT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| VDW_ENERGY_REP enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| XBA_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| XBD_COUNT enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| XBD_XBA_SCORE_MAX enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| XBD_XBA_SCORE_SUM enum value | CDPL::GRAIL::GRAILDescriptorCalculator | |
| ~GRAILDescriptorCalculator() | CDPL::GRAIL::GRAILDescriptorCalculator | |
1.9.1