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Air

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, structure: Option<&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 UnsafeUnpin 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

impl<T> Borrow<T> for T
where T: ?Sized,

fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

impl<T> BorrowMut<T> for T
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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

impl<T> From<T> for T

fn from(t: T) -> T

Returns the argument unchanged.

impl<T, U> Into<U> for T
where U: From<T>,

fn into(self) -> U

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

fn into_either(self, into_left: bool) -> Either<Self, Self> ⓘ

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

fn into_either_with<F>(self, into_left: F) -> Either<Self, Self> ⓘ
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

impl<T> Pointable for T

const ALIGN: usize

The alignment of pointer.

type Init = T

The type for initializers.

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

Dereferences the given pointer. Read more

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

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unsafe fn drop(ptr: usize)

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
where SS: SubsetOf<SP>,

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

Use with care! Same as self.to_subset but without any property checks. Always succeeds.

fn from_subset(element: &SS) -> SP

The inclusion map: converts self to the equivalent element of its superset.

impl<T, U> TryFrom<U> for T
where U: Into<T>,

type Error = Infallible

The type returned in the event of a conversion error.

fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>

Performs the conversion.

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type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.

fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.

impl<V, T> VZip<V> for T
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fn vzip(self) -> V