Struct Molecule

pub struct Molecule<'a> {
    pub comment: Cow<'a, str>,
    pub atoms: Vec<Atom<'a>>,
}

A molecule

Fields

comment: Cow<'a, str>

atoms: Vec<Atom<'a>>

Implementations

impl<'a> Molecule<'a>

pub fn parse(string: &'a str) -> Result<Self, MoleculeParseError<'_>>

pub fn into_owned(self) -> Molecule<'static>

pub fn symbols(&self) -> impl ExactSizeIterator<Item = &str>

pub fn coordinates(&self) -> impl ExactSizeIterator<Item = [Decimal; 3]> + '_

Trait Implementations

impl<'a> Clone for Molecule<'a>

fn clone(&self) -> Molecule<'a>

Returns a copy of the value.

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

Performs copy-assignment from source.

impl<'a> Debug for Molecule<'a>

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

Formats the value using the given formatter.

impl<'a> Default for Molecule<'a>

fn default() -> Molecule<'a>

Returns the “default value” for a type.

impl<'a> Display for Molecule<'a>

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

Formats the value using the given formatter.

impl FromStr for Molecule<'static>

type Err = MoleculeParseError<'static>

The associated error which can be returned from parsing.

fn from_str(s: &str) -> Result<Self, Self::Err>

Parses a string s to return a value of this type.

impl<'a> PartialEq for Molecule<'a>

fn eq(&self, other: &Molecule<'a>) -> 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<'a> Eq for Molecule<'a>

impl<'a> StructuralPartialEq for Molecule<'a>