element |
String
|
The element symbol of this atom. Single-letter symbols are always uppercase. Examples: H, C, F, Br, Si, ... |
drawExplicit |
Boolean
|
A boolean indicating whether or not this atom is drawn explicitly (for example, a carbon atom). This overrides the default behaviour. |
ringbonds |
Array.<Object>
|
An array containing the ringbond ids and bond types as specified in the original SMILE. |
branchBond |
String
|
The branch bond as defined in the SMILES. |
ringbonds[].id |
Number
|
The ringbond id as defined in the SMILES. |
ringbonds[].bondType |
String
|
The bond type of the ringbond as defined in the SMILES. |
rings |
Array.<Number>
|
The ids of rings which contain this atom. |
bondType |
String
|
The bond type associated with this array. Examples: -, =, #, ... |
isBridge |
Boolean
|
A boolean indicating whether or not this atom is part of a bridge in a bridged ring (contained by the largest ring). |
isBridgeNode |
Boolean
|
A boolean indicating whether or not this atom is a bridge node (a member of the largest ring in a bridged ring which is connected to a bridge-atom). |
originalRings |
Array.<Number>
|
Used to back up rings when they are replaced by a bridged ring. |
bridgedRing |
Number
|
The id of the bridged ring if the atom is part of a bridged ring. |
anchoredRings |
Array.<Number>
|
The ids of the rings that are anchored to this atom. The centers of anchored rings are translated when this atom is translated. |
bracket |
Object
|
If this atom is defined as a bracket atom in the original SMILES, this object contains all the bracket information. Example: { hcount: {Number}, charge: ['--', '-', '+', '++'], isotope: {Number} }. |
plane |
Number
|
Specifies on which "plane" the atoms is in stereochemical deptictions (-1 back, 0 middle, 1 front). |
attachedPseudoElements |
Array.<Object>
|
A map with containing information for pseudo elements or concatinated elements. The key is comprised of the element symbol and the hydrogen count. |
attachedPseudoElement[].element |
String
|
The element symbol. |
attachedPseudoElement[].count |
Number
|
The number of occurences that match the key. |
attachedPseudoElement[].hyrogenCount |
Number
|
The number of hydrogens attached to each atom matching the key. |
hasAttachedPseudoElements |
Boolean
|
A boolean indicating whether or not this attom will be drawn with an attached pseudo element or concatinated elements. |
isDrawn |
Boolean
|
A boolean indicating whether or not this atom is drawn. In contrast to drawExplicit, the bond is drawn neither. |
isConnectedToRing |
Boolean
|
A boolean indicating whether or not this atom is directly connected (but not a member of) a ring. |
neighbouringElements |
Array.<String>
|
An array containing the element symbols of neighbouring atoms. |
isPartOfAromaticRing |
Boolean
|
A boolean indicating whether or not this atom is part of an explicitly defined aromatic ring. Example: c1ccccc1. |
bondCount |
Number
|
The number of bonds in which this atom is participating. |
chirality |
String
|
The chirality of this atom if it is a stereocenter (R or S). |
priority |
Number
|
The priority of this atom acording to the CIP rules, where 0 is the highest priority. |
mainChain |
Boolean
|
A boolean indicating whether or not this atom is part of the main chain (used for chirality). |
hydrogenDirection |
String
|
The direction of the hydrogen, either up or down. Only for stereocenters with and explicit hydrogen. |
subtreeDepth |
Number
|
The depth of the subtree coming from a stereocenter. |