new StructureConfigs()
Configs of molecule structure settings.
Properties:
Name | Type | Description |
---|---|---|
defBondType |
String | Default type of bond. |
defBondOrder |
Int | Default order of bond. |
defBondLength |
Int | Default bond length. |
defBondAngles |
Array | A mapping of default 2D bond angles to different bond types, in arc. The mapping is a series of values like the following: angles[bondOrder1][0] = [defaultAngle]; angles[bondOrder1][bondOrder2] = [angle of two bonds]; |
bondConstrainedDirectionDelta |
Float | When moving bond, the bond angle will be changed in n*delta in constrained mode. |
bondConstrainedDirectionAngles |
Array | When moving bond, besides bondConstrainedDirectionDelta, bond angle can also be "docked" to these values. |
bondConstrainedDirectionAngleThreshold |
Float | |
initialBondDirection |
Float | When create a brand new bond (without any existed bond connected), which direction should the bond be. |
defIsotopeId |
String | Default isotope of atom. |
primaryOrgChemAtoms |
Array | Atom symbols of most often seen in organic chemistry. |
enableChargeAndRadicalMarker |
Bool | If true, marker objects will be used in editor to represent charge and radical. |
The |
Int | max atom count when creating carbon chain using flex chain tool. 0 means no restricts. |
minFlexRingAtomCount |
Int | The min atom count when creating carbon ring using flex ring tool. |
maxFlexRingAtomCount |
Int | The max atom count when creating carbon ring using flex ring tool. 0 means no restricts. //@property {Int} initialFlexRingAtomCount The initial atom count when creating carbon ring using flex ring tool. |
nonAtomNodeInputSetting |
Hash | Settings to restrict the input types of non-atom node. |
Extends
- Kekule.AbstractConfigs
Methods
-
getDefAngleOfBonds(bondOrder1, bondOrder2) → {Float}
-
Get the default bond angle of two valence bonds.
Parameters:
Name Type Description bondOrder1
Int bondOrder2
Int Returns:
- Type
- Float
-
getNewBondDefAngle(startObj, newBondOrder) → {Float}
-
Returns default angle when added new bond to startObj.
Parameters:
Name Type Description startObj
Kekule.ChemObject newBondOrder
Int Returns:
- Type
- Float