Types_Of_Mutations.py¶
This class is designed
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Organisms.GA.Types_Of_Mutations.
homotopMutate
(cluster_to_mutate)¶ This definition is designed to swap the positions of two elementally different atoms in a cluster
- Parameters
cluster_to_mutate (GA.Cluster) – The cluster to move the atoms in the cluster.
:returns The newly created mutated cluster :rtypes GA.Cluster
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Organisms.GA.Types_Of_Mutations.
moveMutate
(cluster_to_mutate, dist_to_move)¶ This method randomly displaces all the atoms within the structure cluster_to_mutate from its original position. This def depends on the value of the maximum bond length of the cluster, self.r_ij. The def will cause all atoms in the cluster to move randomly by up to a 1/2 of self.r_ij from their original position.
- Parameters
cluster_to_mutate (GA.Cluster) – The cluster to move the atoms in the cluster.
dist_to_move (float) – The fistnace to move clusters by
:returns The newly created mutated cluster :rtypes GA.Cluster
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Organisms.GA.Types_Of_Mutations.
randomMutate
(boxtoplaceinlength, vacuumAdd, cluster_makeup=None, cluster_to_mutate=None, percentage_of_cluster_to_randomise=None)¶ This definition provides the random method for the mutation proceedure. In this method, a cluster is designed by randomly placing the designed atoms of elements into a predefined unit cell.
- Parameters
boxtoplaceinlength (float) – This is the length of the box you would like to place atoms in to make a randomly constructed cluster.
vacuumAdd (float) – The length of vacuum added around the cluster. Written in A.
cluster_makeup ({'Element': int(number of that 'element' in this cluster),..}) – check this
cluster_to_mutate (ASE.Atoms) – If the user desired, they can tell this definition what cluster they want to mutate. Default: None.
percentage_of_cluster_to_randomise (float) – This is the percentage of the number of atoms in the cluster to randomise
- Returns mutant
The description of the mutant cluster.
- Rtypes
ase.Atoms or GA.Cluster