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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_MOLPROP_HBONDDONORATOMTYPE_HPP
30 #define CDPL_MOLPROP_HBONDDONORATOMTYPE_HPP
42 namespace HBondDonorAtomType
53 const unsigned int NONE = 1;
55 const unsigned int I_HI = 2;
63 const unsigned int F_HF = 6;
65 const unsigned int H_H2 = 7;
97 const unsigned int S_HS = 23;
167 #endif // CDPL_MOLPROP_HBONDDONORATOMTYPE_HPP
const unsigned int O_HNO2
Definition: HBondDonorAtomType.hpp:121
const unsigned int N_IMINIUM
Definition: HBondDonorAtomType.hpp:93
const unsigned int BR_HBR
Definition: HBondDonorAtomType.hpp:57
const unsigned int N_AMINIUM
Definition: HBondDonorAtomType.hpp:79
const unsigned int S_THIOL
Definition: HBondDonorAtomType.hpp:99
const unsigned int O_HCLO4
Definition: HBondDonorAtomType.hpp:113
const unsigned int N_MONO_DI_NITRO_ANILINE
Definition: HBondDonorAtomType.hpp:83
const unsigned int O_H2SO4
Definition: HBondDonorAtomType.hpp:115
const unsigned int O_H2CO3
Definition: HBondDonorAtomType.hpp:103
const unsigned int CL_HCL
Definition: HBondDonorAtomType.hpp:59
const unsigned int N_HN3
Definition: HBondDonorAtomType.hpp:71
const unsigned int O_HALOGENO_PHENOL
Definition: HBondDonorAtomType.hpp:147
const unsigned int O_CL5_PHENOL
Definition: HBondDonorAtomType.hpp:159
const unsigned int O_H2O
Definition: HBondDonorAtomType.hpp:109
const unsigned int N_IMINE
Definition: HBondDonorAtomType.hpp:91
const unsigned int O_H2O2
Definition: HBondDonorAtomType.hpp:107
const unsigned int O_OXIME
Definition: HBondDonorAtomType.hpp:157
const unsigned int O_H3BO3
Definition: HBondDonorAtomType.hpp:127
const unsigned int N_AMINE
Definition: HBondDonorAtomType.hpp:77
const unsigned int S_HSCN
Definition: HBondDonorAtomType.hpp:61
const unsigned int N_NH3
Definition: HBondDonorAtomType.hpp:73
const unsigned int O_HALOGENO_CARBOXYCLIC_ACID
Definition: HBondDonorAtomType.hpp:153
const unsigned int O_PHENOL
Definition: HBondDonorAtomType.hpp:149
const unsigned int O_ENOL
Definition: HBondDonorAtomType.hpp:155
const unsigned int O_H4SIO4
Definition: HBondDonorAtomType.hpp:129
const unsigned int H_H2
Definition: HBondDonorAtomType.hpp:65
const unsigned int C_HCN
Definition: HBondDonorAtomType.hpp:67
const unsigned int O_CARBOXYLIC_ACID
Definition: HBondDonorAtomType.hpp:151
const unsigned int N_TRI_NITRO_ANILINE
Definition: HBondDonorAtomType.hpp:85
const unsigned int O_HCO3
Definition: HBondDonorAtomType.hpp:105
const unsigned int MAX_TYPE
Definition: HBondDonorAtomType.hpp:161
const unsigned int N_ANILINE
Definition: HBondDonorAtomType.hpp:81
const unsigned int O_ALCOHOL
Definition: HBondDonorAtomType.hpp:143
const unsigned int O_H3PO4
Definition: HBondDonorAtomType.hpp:101
const unsigned int O_TRI_NITRO_PHENOL
Definition: HBondDonorAtomType.hpp:145
const unsigned int O_HALOGENO_ALCOHOL
Definition: HBondDonorAtomType.hpp:141
const unsigned int S_H2S
Definition: HBondDonorAtomType.hpp:95
The namespace of the Chemical Data Processing Library.
const unsigned int O_MONO_DI_NITRO_PHENOL
Definition: HBondDonorAtomType.hpp:139
const unsigned int O_HPO4
Definition: HBondDonorAtomType.hpp:131
const unsigned int C_ETHINE
Definition: HBondDonorAtomType.hpp:69
const unsigned int O_HSO4
Definition: HBondDonorAtomType.hpp:119
const unsigned int O_CF3SO3H
Definition: HBondDonorAtomType.hpp:111
const unsigned int O_HO
Definition: HBondDonorAtomType.hpp:135
const unsigned int UNDEF
Specifies that the H-bond donor type of the atom is undefined.
Definition: HBondDonorAtomType.hpp:48
const unsigned int O_H2BO3
Definition: HBondDonorAtomType.hpp:133
const unsigned int N_PYRROLE
Definition: HBondDonorAtomType.hpp:87
const unsigned int NONE
Specifies that the atom is not a H-bond donor.
Definition: HBondDonorAtomType.hpp:53
const unsigned int F_HF
Definition: HBondDonorAtomType.hpp:63
const unsigned int I_HI
Definition: HBondDonorAtomType.hpp:55
const unsigned int N_AMIDE
Definition: HBondDonorAtomType.hpp:89
const unsigned int O_NH2OH
Definition: HBondDonorAtomType.hpp:123
const unsigned int O_H2PO4
Definition: HBondDonorAtomType.hpp:125
const unsigned int O_HNO3
Definition: HBondDonorAtomType.hpp:117
const unsigned int S_HS
Definition: HBondDonorAtomType.hpp:97
const unsigned int N_NH4
Definition: HBondDonorAtomType.hpp:75
const unsigned int O_SULFONIC_ACID
Definition: HBondDonorAtomType.hpp:137