CDPL::GRAIL::GRAILDescriptorCalculator Member List

This is the complete list of members for CDPL::GRAIL::GRAILDescriptorCalculator, including all inherited members.

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