Classifications for Types of Atoms

This section contains all the classifications for the types of atoms that are available. Each classification is stored as a class with the same name. The attributes show the possible assignments that can be made to the atom.

AtomType:

Unknown = 0

Regular = 1

Aromatic = 2

CoordinationCenter = 10

Hypervalent = 20

Main Group Types

MainGroup_sp3 = 31

MainGroup_sp2 = 32

MainGroup_sp = 33

Non-atom placeholders

Dummy = 100

AttachmentPoint = 101

LonePair = 102

Specific atom classes

C_Guanidinium = 201

N_Amide = 202

N_Nitro = 203

N_Ammonium = 204

O_Sulfoxide = 205

O_Sulfone = 206

O_Carboxylate = 207

AtomStereo

Unknown = 0

NotStereogenic = 1

R = 10

S = 11

Delta = 20

Lambda = 21

AtomGeom

Unknown = 0

R1 = 10

R2 = 20

R2_Linear = 21

R2_Bent = 22

R3 = 30

R3_Planar = 31

R3_Pyramidal = 32

R3_TShape = 33

R4 = 40

R4_Tetrahedral = 41

R4_SquarePlanar = 42

R4_Seesaw = 43

R5 = 50

R5_TrigonalBipyramidal = 51

R5_SquarePyramid = 52

R6 = 60

R6_Octahedral = 61