Struct Bond 

pub struct Bond { /* private fields */ }

A chemical bond identity with optional structural descriptors.

Implementations

impl Bond

pub fn new(kind: BondKind) -> Self

Creates a bond with a kind label.

pub fn between( endpoint_a: BondEndpoint, endpoint_b: BondEndpoint, kind: BondKind, ) -> Self

Creates a bond between two validated endpoint references.

pub const fn kind(&self) -> BondKind

Returns the bond kind.

pub const fn order(&self) -> Option<BondOrder>

Returns the optional bond order.

pub fn endpoints(&self) -> &[BondEndpoint]

Returns endpoint references in insertion order.

pub fn participants(&self) -> &[BondParticipant]

Returns participant references in insertion order.

pub const fn polarity(&self) -> Option<BondPolarity>

Returns the optional polarity label.

pub const fn strength(&self) -> Option<BondStrength>

Returns the optional strength label.

pub const fn length(&self) -> Option<&BondLength>

Returns the optional bond length.

pub const fn angle_label(&self) -> Option<&BondDescriptor>

Returns the optional angle label or reference.

pub fn descriptors(&self) -> &[BondDescriptor]

Returns lightweight descriptors in insertion order.

pub const fn with_order(self, order: BondOrder) -> Self

Assigns a bond order.

pub fn with_endpoint(self, endpoint: BondEndpoint) -> Self

Adds an endpoint reference.

pub fn try_with_endpoint( self, endpoint: &str, ) -> Result<Self, BondValidationError>

Adds an endpoint reference after validation.

Errors

Returns BondValidationError::EmptyEndpointLabel when endpoint is empty after trimming.

pub fn with_participant(self, participant: BondParticipant) -> Self

Adds a participant reference if it is not already present.

pub fn try_with_participant( self, participant: &str, ) -> Result<Self, BondValidationError>

Adds a participant reference after validation.

Errors

Returns BondValidationError::EmptyParticipantLabel when participant is empty after trimming.

pub const fn with_polarity(self, polarity: BondPolarity) -> Self

Assigns a polarity label.

pub const fn with_strength(self, strength: BondStrength) -> Self

Assigns a strength label.

pub fn with_length(self, length: BondLength) -> Self

Assigns a bond length.

pub fn try_with_length( self, value: f64, unit: &str, ) -> Result<Self, BondValidationError>

Assigns a bond length after validation.

Errors

Returns BondValidationError when the length value is not finite, is not positive, or the unit is empty after trimming.

pub fn with_angle_label(self, angle_label: BondDescriptor) -> Self

Assigns an angle label or reference.

pub fn try_with_angle_label( self, angle_label: &str, ) -> Result<Self, BondValidationError>

Assigns an angle label or reference after validation.

Errors

Returns BondValidationError::EmptyAngleLabel when angle_label is empty after trimming.

pub fn with_descriptor(self, descriptor: BondDescriptor) -> Self

Adds a descriptor if it is not already present.

pub fn try_with_descriptor( self, descriptor: &str, ) -> Result<Self, BondValidationError>

Adds a descriptor after validation.

Errors

Returns BondValidationError::EmptyDescriptor when descriptor is empty after trimming.

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 Display for Bond

fn fmt(&self, formatter: &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 StructuralPartialEq for Bond