 |
Chemical Data Processing Library Python API - Version 1.1.1
|
|
Chemical Data Processing Library Python API - Version 1.1.1
|
Provides constants used to specify the structural class of H-bond donor atoms. More...
Inheritance diagram for CDPL.MolProp.HBondDonorAtomType:Static Public Attributes | |
| int | UNDEF = 0 |
| Specifies that the H-bond donor type of the atom is undefined. | |
| int | NONE = 1 |
| Specifies that the atom is not a H-bond donor. | |
| int | I_HI = 2 |
| int | BR_HBR = 3 |
| int | CL_HCL = 4 |
| int | S_HSCN = 5 |
| int | F_HF = 6 |
| int | H_H2 = 7 |
| int | C_HCN = 8 |
| int | C_ETHINE = 9 |
| int | N_HN3 = 10 |
| int | N_NH3 = 11 |
| int | N_NH4 = 12 |
| int | N_AMINE = 13 |
| int | N_AMINIUM = 14 |
| int | N_ANILINE = 15 |
| int | N_MONO_DI_NITRO_ANILINE = 16 |
| int | N_TRI_NITRO_ANILINE = 17 |
| int | N_PYRROLE = 18 |
| int | N_AMIDE = 19 |
| int | N_IMINE = 20 |
| int | N_IMINIUM = 21 |
| int | S_H2S = 22 |
| int | S_HS = 23 |
| int | S_THIOL = 24 |
| int | O_H3PO4 = 25 |
| int | O_H2CO3 = 26 |
| int | O_HCO3 = 27 |
| int | O_H2O2 = 28 |
| int | O_H2O = 29 |
| int | O_CF3SO3H = 30 |
| int | O_HCLO4 = 31 |
| int | O_H2SO4 = 32 |
| int | O_HNO3 = 33 |
| int | O_HSO4 = 34 |
| int | O_HNO2 = 35 |
| int | O_NH2OH = 36 |
| int | O_H2PO4 = 37 |
| int | O_H3BO3 = 38 |
| int | O_H4SIO4 = 39 |
| int | O_HPO4 = 40 |
| int | O_H2BO3 = 41 |
| int | O_HO = 42 |
| int | O_SULFONIC_ACID = 43 |
| int | O_MONO_DI_NITRO_PHENOL = 44 |
| int | O_HALOGENO_ALCOHOL = 45 |
| int | O_ALCOHOL = 46 |
| int | O_TRI_NITRO_PHENOL = 47 |
| int | O_HALOGENO_PHENOL = 48 |
| int | O_PHENOL = 49 |
| int | O_CARBOXYLIC_ACID = 50 |
| int | O_HALOGENO_CARBOXYCLIC_ACID = 51 |
| int | O_ENOL = 52 |
| int | O_OXIME = 53 |
| int | O_CL5_PHENOL = 54 |
| int | MAX_TYPE = 54 |
Provides constants used to specify the structural class of H-bond donor atoms.
1.8.20