CDPL.GRAIL.GRAILDescriptorCalculator.ElementIndex Class Reference

Inheritance diagram for CDPL.GRAIL.GRAILDescriptorCalculator.ElementIndex:

Static Public Attributes
int	PI_COUNT = 0
	PI_COUNT.
int	NI_COUNT = 1
	NI_COUNT.
int	AR_COUNT = 2
	AR_COUNT.
int	H_COUNT = 3
	H_COUNT.
int	HBD_COUNT = 4
	HBD_COUNT.
int	HBA_COUNT = 5
	HBA_COUNT.
int	XBD_COUNT = 6
	XBD_COUNT.
int	XBA_COUNT = 7
	XBA_COUNT.
int	HVY_ATOM_COUNT = 8
	HVY_ATOM_COUNT.
int	ROT_BOND_COUNT = 9
	ROT_BOND_COUNT.
int	TOTAL_HYD = 10
	TOTAL_HYD.
int	LOGP = 11
	LOGP.
int	TPSA = 12
	TPSA.
int	ENV_HBA_OCC_SUM = 13
	ENV_HBA_OCC_SUM.
int	ENV_HBA_OCC_MAX = 14
	ENV_HBA_OCC_MAX.
int	ENV_HBD_OCC_SUM = 15
	ENV_HBD_OCC_SUM.
int	ENV_HBD_OCC_MAX = 16
	ENV_HBD_OCC_MAX.
int	PI_AR_SCORE_SUM = 17
	PI_AR_SCORE_SUM.
int	PI_AR_SCORE_MAX = 18
	PI_AR_SCORE_MAX.
int	AR_PI_SCORE_SUM = 19
	AR_PI_SCORE_SUM.
int	AR_PI_SCORE_MAX = 20
	AR_PI_SCORE_MAX.
int	H_H_SCORE_SUM = 21
	H_H_SCORE_SUM.
int	H_H_SCORE_MAX = 22
	H_H_SCORE_MAX.
int	AR_AR_SCORE_SUM = 23
	AR_AR_SCORE_SUM.
int	AR_AR_SCORE_MAX = 24
	AR_AR_SCORE_MAX.
int	HBD_HBA_SCORE_SUM = 25
	HBD_HBA_SCORE_SUM.
int	HBD_HBA_SCORE_MAX = 26
	HBD_HBA_SCORE_MAX.
int	HBA_HBD_SCORE_SUM = 27
	HBA_HBD_SCORE_SUM.
int	HBA_HBD_SCORE_MAX = 28
	HBA_HBD_SCORE_MAX.
int	XBD_XBA_SCORE_SUM = 29
	XBD_XBA_SCORE_SUM.
int	XBD_XBA_SCORE_MAX = 30
	XBD_XBA_SCORE_MAX.
int	ES_ENERGY = 31
	ES_ENERGY.
int	ES_ENERGY_SQRD_DIST = 32
	ES_ENERGY_SQRD_DIST.
int	VDW_ENERGY_ATT = 33
	VDW_ENERGY_ATT.
int	VDW_ENERGY_REP = 34
	VDW_ENERGY_REP.