stk.ReactionResult
- class stk.ReactionResult(new_atoms, new_bonds, deleted_atoms, deleted_bonds)[source]
Bases:
object
The result of a reaction.
Initialize a
ReactionResult
instance.- Parameters:
Methods
Get the atoms deleted by the reaction.
Get the bonds deleted by the reaction.
Get the new atoms added by the reaction.
Get the new bonds added by the reaction.