Chemical Data Processing Library C++ API - Version 1.1.1
Variables
CDPL::MolProp::HBondDonorAtomType Namespace Reference

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

Variables

const unsigned int UNDEF = 0
 Specifies that the H-bond donor type of the atom is undefined. More...
 
const unsigned int NONE = 1
 Specifies that the atom is not a H-bond donor. More...
 
const unsigned int I_HI = 2
 
const unsigned int BR_HBR = 3
 
const unsigned int CL_HCL = 4
 
const unsigned int S_HSCN = 5
 
const unsigned int F_HF = 6
 
const unsigned int H_H2 = 7
 
const unsigned int C_HCN = 8
 
const unsigned int C_ETHINE = 9
 
const unsigned int N_HN3 = 10
 
const unsigned int N_NH3 = 11
 
const unsigned int N_NH4 = 12
 
const unsigned int N_AMINE = 13
 
const unsigned int N_AMINIUM = 14
 
const unsigned int N_ANILINE = 15
 
const unsigned int N_MONO_DI_NITRO_ANILINE = 16
 
const unsigned int N_TRI_NITRO_ANILINE = 17
 
const unsigned int N_PYRROLE = 18
 
const unsigned int N_AMIDE = 19
 
const unsigned int N_IMINE = 20
 
const unsigned int N_IMINIUM = 21
 
const unsigned int S_H2S = 22
 
const unsigned int S_HS = 23
 
const unsigned int S_THIOL = 24
 
const unsigned int O_H3PO4 = 25
 
const unsigned int O_H2CO3 = 26
 
const unsigned int O_HCO3 = 27
 
const unsigned int O_H2O2 = 28
 
const unsigned int O_H2O = 29
 
const unsigned int O_CF3SO3H = 30
 
const unsigned int O_HCLO4 = 31
 
const unsigned int O_H2SO4 = 32
 
const unsigned int O_HNO3 = 33
 
const unsigned int O_HSO4 = 34
 
const unsigned int O_HNO2 = 35
 
const unsigned int O_NH2OH = 36
 
const unsigned int O_H2PO4 = 37
 
const unsigned int O_H3BO3 = 38
 
const unsigned int O_H4SIO4 = 39
 
const unsigned int O_HPO4 = 40
 
const unsigned int O_H2BO3 = 41
 
const unsigned int O_HO = 42
 
const unsigned int O_SULFONIC_ACID = 43
 
const unsigned int O_MONO_DI_NITRO_PHENOL = 44
 
const unsigned int O_HALOGENO_ALCOHOL = 45
 
const unsigned int O_ALCOHOL = 46
 
const unsigned int O_TRI_NITRO_PHENOL = 47
 
const unsigned int O_HALOGENO_PHENOL = 48
 
const unsigned int O_PHENOL = 49
 
const unsigned int O_CARBOXYLIC_ACID = 50
 
const unsigned int O_HALOGENO_CARBOXYCLIC_ACID = 51
 
const unsigned int O_ENOL = 52
 
const unsigned int O_OXIME = 53
 
const unsigned int O_CL5_PHENOL = 54
 
const unsigned int MAX_TYPE = O_CL5_PHENOL
 

Detailed Description

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

Variable Documentation

◆ UNDEF

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

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

◆ NONE

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

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

◆ I_HI

const unsigned int CDPL::MolProp::HBondDonorAtomType::I_HI = 2

◆ BR_HBR

const unsigned int CDPL::MolProp::HBondDonorAtomType::BR_HBR = 3

◆ CL_HCL

const unsigned int CDPL::MolProp::HBondDonorAtomType::CL_HCL = 4

◆ S_HSCN

const unsigned int CDPL::MolProp::HBondDonorAtomType::S_HSCN = 5

◆ F_HF

const unsigned int CDPL::MolProp::HBondDonorAtomType::F_HF = 6

◆ H_H2

const unsigned int CDPL::MolProp::HBondDonorAtomType::H_H2 = 7

◆ C_HCN

const unsigned int CDPL::MolProp::HBondDonorAtomType::C_HCN = 8

◆ C_ETHINE

const unsigned int CDPL::MolProp::HBondDonorAtomType::C_ETHINE = 9

◆ N_HN3

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_HN3 = 10

◆ N_NH3

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_NH3 = 11

◆ N_NH4

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_NH4 = 12

◆ N_AMINE

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_AMINE = 13

◆ N_AMINIUM

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_AMINIUM = 14

◆ N_ANILINE

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_ANILINE = 15

◆ N_MONO_DI_NITRO_ANILINE

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_MONO_DI_NITRO_ANILINE = 16

◆ N_TRI_NITRO_ANILINE

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_TRI_NITRO_ANILINE = 17

◆ N_PYRROLE

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_PYRROLE = 18

◆ N_AMIDE

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_AMIDE = 19

◆ N_IMINE

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_IMINE = 20

◆ N_IMINIUM

const unsigned int CDPL::MolProp::HBondDonorAtomType::N_IMINIUM = 21

◆ S_H2S

const unsigned int CDPL::MolProp::HBondDonorAtomType::S_H2S = 22

◆ S_HS

const unsigned int CDPL::MolProp::HBondDonorAtomType::S_HS = 23

◆ S_THIOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::S_THIOL = 24

◆ O_H3PO4

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H3PO4 = 25

◆ O_H2CO3

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H2CO3 = 26

◆ O_HCO3

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HCO3 = 27

◆ O_H2O2

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H2O2 = 28

◆ O_H2O

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H2O = 29

◆ O_CF3SO3H

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_CF3SO3H = 30

◆ O_HCLO4

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HCLO4 = 31

◆ O_H2SO4

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H2SO4 = 32

◆ O_HNO3

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HNO3 = 33

◆ O_HSO4

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HSO4 = 34

◆ O_HNO2

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HNO2 = 35

◆ O_NH2OH

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_NH2OH = 36

◆ O_H2PO4

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H2PO4 = 37

◆ O_H3BO3

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H3BO3 = 38

◆ O_H4SIO4

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H4SIO4 = 39

◆ O_HPO4

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HPO4 = 40

◆ O_H2BO3

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_H2BO3 = 41

◆ O_HO

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HO = 42

◆ O_SULFONIC_ACID

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_SULFONIC_ACID = 43

◆ O_MONO_DI_NITRO_PHENOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_MONO_DI_NITRO_PHENOL = 44

◆ O_HALOGENO_ALCOHOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HALOGENO_ALCOHOL = 45

◆ O_ALCOHOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_ALCOHOL = 46

◆ O_TRI_NITRO_PHENOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_TRI_NITRO_PHENOL = 47

◆ O_HALOGENO_PHENOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HALOGENO_PHENOL = 48

◆ O_PHENOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_PHENOL = 49

◆ O_CARBOXYLIC_ACID

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_CARBOXYLIC_ACID = 50

◆ O_HALOGENO_CARBOXYCLIC_ACID

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_HALOGENO_CARBOXYCLIC_ACID = 51

◆ O_ENOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_ENOL = 52

◆ O_OXIME

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_OXIME = 53

◆ O_CL5_PHENOL

const unsigned int CDPL::MolProp::HBondDonorAtomType::O_CL5_PHENOL = 54

◆ MAX_TYPE

const unsigned int CDPL::MolProp::HBondDonorAtomType::MAX_TYPE = O_CL5_PHENOL
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