Struct Selection 

pub struct Selection {
    pub atoms: BTreeSet<usize>,
    pub bonds: BTreeSet<(usize, usize)>,
}

A set of atom indices and bond index pairs.

Fields

atoms: BTreeSet<usize>

Selected atoms in the current cell.

bonds: BTreeSet<(usize, usize)>

Selected bonds as ordered index pairs.

Implementations

impl Selection

pub fn new() -> Self

Empty selection.

pub fn add_atom(&mut self, index: usize)

Selects one atom.

pub fn remove_atom(&mut self, index: usize)

Deselects one atom.

pub fn toggle_atom(&mut self, index: usize)

Toggles one atom.

pub fn add_atoms(&mut self, indices: impl IntoIterator<Item = usize>)

Selects a sorted block of atoms.

pub fn add_bond(&mut self, first: usize, second: usize)

Selects one bond; the pair is normalised to (min, max).

pub fn contains(&self, index: usize) -> bool

Whether an atom is selected.

pub fn len(&self) -> usize

Number of selected atoms.

pub fn is_empty(&self) -> bool

Whether nothing is selected.

pub fn clear(&mut self)

Clears atoms and bonds.

pub fn union(&mut self, other: &Self)

Union with another selection.

pub fn intersect(&mut self, other: &Self)

Intersection with another selection.

Trait Implementations

impl Clone for Selection

fn clone(&self) -> Self

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Selection

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Default for Selection

fn default() -> Self

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for Selection

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Eq for Selection

impl PartialEq for Selection

fn eq(&self, other: &Self) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl Serialize for Selection

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for Selection