Compound Mutator

CompoundMutator(mutators::Vector{AbstractMutator}, selection::Union{AbstractSelection, Nothing})

Return a CompoundMutator instance. This AbstractMutator is a functor, called with the following signature:

(compound_mutator::CompoundMutator)(pose::Pose)

A CompoundMutator loops over a list of one or more AbstractMutator instances, applying them in the provided sequence to a Pose instance. If an AbstractSelection selection is provided, the same selection will be used when applying each AbstractMutator, merged with any possible inner selection specific for each mutator (using the & "and" operator). For example, a DihedralMutator may have an an"CA" selection attached. When called from a CompoundMutator with a rid"1:10" selection attached, only the CA Atom instances from the region between Residue 1 to Residue 10 will be considered for application of the DihedralMutator. Note that, when applying each mutator, any required sync! call and request for internal to cartesian coordinate conversion (or vice-versa) are handled by each AbstractMutator independently.

The CompoundMutator AbstractMutator can also be optionally called using the following signature, in which case only the provided list of Atom instances will be considered for the application of this AbstractMutator (i.e.: CompoundMutator of a CompoundMutator).

(compound_mutator::CompoundMutator)(pose::Pose, atoms::Vector{Atom})

Fields

• mutators::Vector{AbstractMutator} - The list of AbstractMutator instances this mutator will loop over and apply sequentially;
• selection::Union{AbstractSelection, Nothing} - If provided, all inner AbstractMutator instances will be applied to each individual selection (if present) merged with this common selection.

See also

CompoundDriver

Examples

julia> m = ProtoSyn.Mutators.CompoundMutator([rrbm, trbm], an"CBZ")
⚯  Compound Mutator:
 ├──  ● Inner Mutators (2 elements):
 |    ├── ⚯  Rotation Rigid Body Mutator:
 |    |   +----------------------------------------------------------------------+
 |    |   | Index | Field                       | Value                          |
 |    |   +----------------------------------------------------------------------+
 |    |   | 1     | axis_sampler                | Function rand_vector_in_sphere |
 |    |   | 2     | angle_sampler               | Function randn                 |
 |    |   | 3     | pivot_sampler               | Function center_of_mass        |
 |    |   | 4     | step_size                   | 0.4000                         |
 |    |   +----------------------------------------------------------------------+
 |    |    ● Selection: Set
 |    |    └── BinarySelection ❯  & "and" (Atom)
 |    |         ├── FieldSelection › Atom.name = CA
 |    |         └── FieldSelection › Atom.name = CB
 |    |   
 |    └── ⚯  Translation Rigid Body Mutator:
 |        +----------------------------------------------------------------------+
 |        | Index | Field                       | Value                          |
 |        +----------------------------------------------------------------------+
 |        | 1     | translation_vector_sampler  | Function rand_vector_in_sphere |
 |        | 2     | step_size                   | 1.0000                         |
 |        +----------------------------------------------------------------------+
 |         ○  Selection: Not Set
 |   
 └──  ● Selection: Set
      └── FieldSelection › Atom.name = CBZ