Struct ChemicalFormula 

pub struct ChemicalFormula { /* private fields */ }

A chemical formula with a main part and optional hydrate parts.

Implementations

impl ChemicalFormula

pub fn new( main_part: FormulaPart, hydrate_parts: Vec<HydratePart>, ) -> ChemicalFormula

Creates a chemical formula from a main part and hydrate parts.

pub fn parse(input: &str) -> Result<ChemicalFormula, FormulaParseError>

Parses a chemical formula string.

Errors

Returns FormulaParseError when the input is empty or does not match the supported lightweight formula grammar.

pub const fn main_part(&self) -> &FormulaPart

Returns the main formula part.

pub fn hydrate_parts(&self) -> &[HydratePart]

Returns hydrate parts after the main formula part.

pub fn element_counts(&self) -> BTreeMap<String, u64>

Returns expanded element counts for the full formula.

Trait Implementations

impl AsRef<ChemicalFormula> for CompoundFormula

fn as_ref(&self) -> &ChemicalFormula

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

impl AsRef<ChemicalFormula> for EmpiricalFormula

fn as_ref(&self) -> &ChemicalFormula

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

impl AsRef<ChemicalFormula> for IonFormula

fn as_ref(&self) -> &ChemicalFormula

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

impl AsRef<ChemicalFormula> for MolecularFormula

fn as_ref(&self) -> &ChemicalFormula

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

impl AsRef<ChemicalFormula> for MolecularFormula

fn as_ref(&self) -> &ChemicalFormula

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

impl Clone for ChemicalFormula

fn clone(&self) -> ChemicalFormula

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ChemicalFormula

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

Formats the value using the given formatter.

impl Display for ChemicalFormula

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

Formats the value using the given formatter.

impl From<ChemicalFormula> for CompoundFormula

fn from(value: ChemicalFormula) -> CompoundFormula

Converts to this type from the input type.

impl From<ChemicalFormula> for EmpiricalFormula

fn from(value: ChemicalFormula) -> EmpiricalFormula

Converts to this type from the input type.

impl From<ChemicalFormula> for IonFormula

fn from(value: ChemicalFormula) -> IonFormula

Converts to this type from the input type.

impl From<ChemicalFormula> for MolecularFormula

fn from(value: ChemicalFormula) -> MolecularFormula

Converts to this type from the input type.

impl From<ChemicalFormula> for MolecularFormula

fn from(value: ChemicalFormula) -> MolecularFormula

Converts to this type from the input type.

impl FromStr for ChemicalFormula

type Err = FormulaParseError

The associated error which can be returned from parsing.

fn from_str( input: &str, ) -> Result<ChemicalFormula, <ChemicalFormula as FromStr>::Err>

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

impl PartialEq for ChemicalFormula

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

impl StructuralPartialEq for ChemicalFormula