Struct AtomLabel 

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

A validated atom label with a basic element-symbol shape.

Implementations

impl AtomLabel

pub fn new(label: &str) -> Result<Self, MoleculeValidationError>

Creates an atom label.

Errors

Returns MoleculeValidationError::EmptyAtomLabel when label is empty after trimming, or MoleculeValidationError::InvalidAtomLabel when the label does not match the supported element-symbol shape.

pub fn as_str(&self) -> &str

Returns the atom label text.

pub const fn as_element_symbol(&self) -> &ElementSymbol

Returns the wrapped formula element-symbol value.

Trait Implementations

impl AsRef<str> for AtomLabel

fn as_ref(&self) -> &str

Converts this type into a shared reference of the (usually inferred) input type.

impl Clone for AtomLabel

fn clone(&self) -> AtomLabel

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for AtomLabel

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

Formats the value using the given formatter.

impl Display for AtomLabel

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

Formats the value using the given formatter.

impl Hash for AtomLabel

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl Ord for AtomLabel

fn cmp(&self, other: &AtomLabel) -> Ordering

This method returns an Ordering between self and other.

fn max(self, other: Self) -> Self

where Self: Sized,

Compares and returns the maximum of two values.

fn min(self, other: Self) -> Self

where Self: Sized,

Compares and returns the minimum of two values.

fn clamp(self, min: Self, max: Self) -> Self

where Self: Sized,

Restrict a value to a certain interval.

impl PartialEq for AtomLabel

fn eq(&self, other: &AtomLabel) -> 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 PartialOrd for AtomLabel

fn partial_cmp(&self, other: &AtomLabel) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

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

Tests less than (for self and other) and is used by the < operator.

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

Tests less than or equal to (for self and other) and is used by the <= operator.

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

Tests greater than (for self and other) and is used by the > operator.

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

Tests greater than or equal to (for self and other) and is used by the >= operator.

impl TryFrom<&str> for AtomLabel

type Error = MoleculeValidationError

The type returned in the event of a conversion error.

fn try_from(value: &str) -> Result<Self, Self::Error>

Performs the conversion.

impl Eq for AtomLabel

impl StructuralPartialEq for AtomLabel