Struct Bond 

pub struct Bond {
    pub atom1: usize,
    pub atom2: usize,
}

Structure representing a bond between atoms.

Fields

atom1: usize

Global index of the first atom involved in the bond. Note the word is index, not number! Atom indices start from 0. Indices correspond to indices of the atoms in the TprTopology::atoms vector.

atom2: usize

Global index of the second atom involved in the bond.

Trait Implementations

impl Clone for Bond

fn clone(&self) -> Bond

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for Bond

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

Formats the value using the given formatter.

impl PartialEq for Bond

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

Tests for self and other values to be equal, and is used by ==.

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

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl Eq for Bond

impl StructuralPartialEq for Bond