Struct FormulaOxidationState 

pub struct FormulaOxidationState { /* private fields */ }

Oxidation-state assignments in a formula or caller-defined formula context.

Implementations

impl FormulaOxidationState

pub fn new( formula_label: &str, states: OxidationStateSet, ) -> Result<FormulaOxidationState, OxidationStateValidationError>

Creates formula-context oxidation-state assignments.

Errors

Returns OxidationStateValidationError::EmptyFormulaLabel when formula_label is empty or whitespace only.

pub fn formula_label(&self) -> &str

Returns the formula or formula-context label.

pub const fn states(&self) -> &OxidationStateSet

Returns the oxidation-state assignments.

pub fn into_parts(self) -> (String, OxidationStateSet)

Consumes the value and returns its parts.

Trait Implementations

impl Clone for FormulaOxidationState

fn clone(&self) -> FormulaOxidationState

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for FormulaOxidationState

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

Formats the value using the given formatter.

impl Default for FormulaOxidationState

fn default() -> FormulaOxidationState

Returns the “default value” for a type.

impl Display for FormulaOxidationState

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

Formats the value using the given formatter.

impl PartialEq for FormulaOxidationState

fn eq(&self, other: &FormulaOxidationState) -> 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 FormulaOxidationState

impl StructuralPartialEq for FormulaOxidationState