haddock_restraints

Struct Air

pub struct Air(/* private fields */);

Expand description

Represents the Air (Ambiguous Interaction Restraints) structure.

This struct holds a collection of interactors and provides methods to find interaction partners and generate tables.

Implementations§

impl Air

pub fn new(interactors: Vec<Interactor>) -> Self

Creates a new Air instance with the given interactors.

§Arguments

interactors - A vector of Interactor objects.

§Returns

A new Air instance.

pub fn find_partners(&self, interactor: &Interactor) -> Vec<&Interactor>

Finds potential interaction partners for a given interactor.

§Arguments

interactor - The interactor to find partners for.

§Returns

A vector of references to Interactor objects that are potential partners.

pub fn gen_tbl(&self) -> Result<String, &str>

Generates a table representation of the AIR data.

This method validates all interactors and creates a string representation of the AIR data, including interaction blocks for each valid interactor with partners.

§Returns

Ok(String) - A string containing the generated table.
Err(&str) - An error message if any interactor is invalid.

pub fn gen_pml(&self, output_f: &str)

Auto Trait Implementations§

impl Freeze for Air

impl RefUnwindSafe for Air

impl Send for Air

impl Sync for Air

impl Unpin for Air

impl UnwindSafe for Air

Blanket Implementations§

impl<T> Any for T
where T: 'static + ?Sized,

fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

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where T: ?Sized,

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Immutably borrows from an owned value. Read more

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Returns the argument unchanged.

impl<T, U> Into<U> for T
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Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

impl<T> IntoEither for T

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Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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const ALIGN: usize

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type Init = T

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unsafe fn init(init: <T as Pointable>::Init) -> usize

Initializes a with the given initializer. Read more

unsafe fn deref<'a>(ptr: usize) -> &'a T

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Drops the object pointed to by the given pointer. Read more

impl<T> Same for T

type Output = T

Should always be Self

impl<SS, SP> SupersetOf<SS> for SP
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fn to_subset(&self) -> Option<SS>

The inverse inclusion map: attempts to construct self from the equivalent element of its superset. Read more

fn is_in_subset(&self) -> bool

Checks if self is actually part of its subset T (and can be converted to it).

fn to_subset_unchecked(&self) -> SS

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fn from_subset(element: &SS) -> SP

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Performs the conversion.

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Performs the conversion.

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fn vzip(self) -> V