CDPL::MolProp::HBondAcceptorAtomType Namespace Reference

Provides constants used to specify the structural class of H-bond acceptor atoms. More...

Variables
const unsigned int	UNDEF = 0
	Specifies that the H-bond acceptor type of the atom is undefined. More...
const unsigned int	NONE = 1
	Specifies that the atom is not a H-bond acceptor. More...
const unsigned int	O_H2O = 2
const unsigned int	O_UREA = 3
const unsigned int	O_BARBITURIC_ACID = 4
const unsigned int	O_URIC_ACID = 5
const unsigned int	O_ETHER = 6
const unsigned int	O_AMIDE = 7
const unsigned int	O_N_OXIDE = 8
const unsigned int	O_ACID = 9
const unsigned int	O_ESTER = 10
const unsigned int	O_SULFOXIDE = 11
const unsigned int	O_NITRO = 12
const unsigned int	O_SELEN_OXIDE = 13
const unsigned int	O_ALDEHYD = 14
const unsigned int	O_KETONE = 15
const unsigned int	O_ALCOHOL = 16
const unsigned int	N_NH3 = 17
const unsigned int	N_DIAMINE = 18
const unsigned int	N_MONO_DI_NITRO_ANILINE = 19
const unsigned int	N_TRI_NITRO_ANILINE = 20
const unsigned int	N_HALOGENO_ANILINE = 21
const unsigned int	N_ANILINE = 22
const unsigned int	N_NITRILE = 23
const unsigned int	N_AZOLE = 24
const unsigned int	N_AMINE = 25
const unsigned int	N_AMIDINE = 26
const unsigned int	N_AZO = 27
const unsigned int	N_AZINE = 28
const unsigned int	N_DIAZINE = 29
const unsigned int	N_IMINE = 30
const unsigned int	S_SULFIDE = 31
const unsigned int	S_THIOUREA = 32
const unsigned int	P_MONO_DI_PHOSPHINE = 33
const unsigned int	P_TRI_PHOSPHINE = 34
const unsigned int	MAX_TYPE = P_TRI_PHOSPHINE

Detailed Description

Provides constants used to specify the structural class of H-bond acceptor atoms.

Variable Documentation

UNDEF

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::UNDEF = 0

Specifies that the H-bond acceptor type of the atom is undefined.

NONE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::NONE = 1

Specifies that the atom is not a H-bond acceptor.

O_H2O

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_H2O = 2

O_UREA

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_UREA = 3

O_BARBITURIC_ACID

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_BARBITURIC_ACID = 4

O_URIC_ACID

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_URIC_ACID = 5

O_ETHER

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_ETHER = 6

O_AMIDE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_AMIDE = 7

O_N_OXIDE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_N_OXIDE = 8

O_ACID

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_ACID = 9

O_ESTER

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_ESTER = 10

O_SULFOXIDE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_SULFOXIDE = 11

O_NITRO

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_NITRO = 12

O_SELEN_OXIDE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_SELEN_OXIDE = 13

O_ALDEHYD

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_ALDEHYD = 14

O_KETONE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_KETONE = 15

O_ALCOHOL

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::O_ALCOHOL = 16

N_NH3

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_NH3 = 17

N_DIAMINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_DIAMINE = 18

N_MONO_DI_NITRO_ANILINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_MONO_DI_NITRO_ANILINE = 19

N_TRI_NITRO_ANILINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_TRI_NITRO_ANILINE = 20

N_HALOGENO_ANILINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_HALOGENO_ANILINE = 21

N_ANILINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_ANILINE = 22

N_NITRILE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_NITRILE = 23

N_AZOLE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_AZOLE = 24

N_AMINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_AMINE = 25

N_AMIDINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_AMIDINE = 26

N_AZO

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_AZO = 27

N_AZINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_AZINE = 28

N_DIAZINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_DIAZINE = 29

N_IMINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::N_IMINE = 30

S_SULFIDE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::S_SULFIDE = 31

S_THIOUREA

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::S_THIOUREA = 32

P_MONO_DI_PHOSPHINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::P_MONO_DI_PHOSPHINE = 33

P_TRI_PHOSPHINE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::P_TRI_PHOSPHINE = 34

MAX_TYPE

const unsigned int CDPL::MolProp::HBondAcceptorAtomType::MAX_TYPE = P_TRI_PHOSPHINE