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Module prelude

use_chemistry

Module prelude 

Source

Structs§

ActualYield
A nonnegative finite actual yield value.
Anion
A negative ion wrapper.
AtomConnection
A simple connection between explicit atoms.
AtomCount
A count of explicit atoms in a molecule.
AtomIndex
A zero-based atom index into a molecule’s explicit atom list.
AtomLabel
A validated atom label with a basic element-symbol shape.
AtomicMassEntry
A validated element symbol and atomic mass pair.
AtomicMassLookup
A caller-controlled element atomic-mass lookup table.
Bond
A chemical bond identity with optional structural descriptors.
BondDescriptor
A lightweight bond descriptor or reference label.
BondEndpoint
A validated atom endpoint reference for a bond.
BondLength
A positive displayable bond length.
BondParticipant
A validated bond participant reference.
Catalyst
A lightweight catalyst descriptor.
Cation
A positive ion wrapper.
ChargeMagnitude
A nonzero ionic charge magnitude.
ChemicalFormula
A chemical formula with a main part and optional hydrate parts.
ChemicalReaction
A chemical reaction with an equation, optional conditions, and classification labels.
CommonName
A validated common compound name.
Compound
A named chemical compound with formula and lightweight descriptors.
CompoundFormula
A compound-facing chemical formula wrapper.
CompoundIdentifier
A lightweight compound registry identifier.
CompoundName
A validated primary compound name.
Element
Small copyable element metadata suitable for direct lookup helpers.
ElementCount
A positive element count.
ElementMassContribution
A per-element contribution to a formula molar mass.
ElementOxidationState
An oxidation-state assignment for an element symbol.
ElementSymbol
A validated chemical element symbol shape.
EmpiricalFormula
An empirical formula wrapper.
ExcessReagent
A validated excess-reagent label.
FormulaGroup
Parenthesized formula terms with a multiplier.
FormulaMolarMass
A formula with its calculated molar mass and element contributions.
FormulaMultiplier
A positive group or hydrate multiplier.
FormulaOxidationState
Oxidation-state assignments in a formula or caller-defined formula context.
FormulaPart
A contiguous formula part made of terms.
FormulaQuantity
A formula with a stoichiometric quantity.
FractionalBondOrder
A rational fractional bond order.
HydratePart
A dot-separated hydrate formula part.
Ion
A charged atom or charged group represented by formula and charge.
IonCharge
A nonzero signed ionic charge.
IonFormula
An ion-facing chemical formula wrapper.
IonName
A validated ion name.
Isotope
Small validated isotope identity.
LimitingReagent
A validated limiting-reagent label.
MassContributionSet
Ordered per-element molar-mass contributions.
MolarMass
A positive finite molar mass value with an associated display unit.
MolarMassCalculation
A formula and atomic-mass lookup ready for molar-mass calculation.
MoleRatio
A mole ratio between two stoichiometric coefficients.
MolecularAtom
An explicit atom entry in a molecule.
MolecularAtomId
A validated atom identifier.
MolecularFormula
A molecular formula wrapper.
Molecule
A named molecular entity with formula and optional structural primitives.
MoleculeBuilder
Builder for assembling a molecule with optional explicit atom data.
MoleculeCharge
A formal molecule charge.
MoleculeFormula
A molecule-facing chemical formula wrapper.
MoleculeName
A validated molecule name.
MonatomicIon
A monatomic ion wrapper.
OxidationMagnitude
A bounded oxidation-state magnitude.
OxidationState
A validated oxidation-state value.
OxidationStateAssignment
A labeled oxidation-state assignment.
OxidationStateSet
A small insertion-order collection of oxidation-state assignments.
PercentYield
A nonnegative finite percent yield value.
PolyatomicIon
A polyatomic ion wrapper.
Product
A product-side reaction term.
ProductEntry
A product-side reaction entry.
Reactant
A reactant-side reaction term.
ReactantEntry
A reactant-side reaction entry.
ReactionConditionSet
An ordered collection of reaction conditions.
ReactionEntry
A stoichiometric entry on one side of a reaction.
ReactionEquation
A chemical reaction equation with reactants, products, and an arrow.
ReactionTerm
A formula-backed reaction term with a stoichiometric coefficient.
RomanOxidationState
A Roman numeral representation of a common oxidation-state magnitude.
Solvent
A lightweight solvent descriptor.
StoichiometricCoefficient
A nonzero stoichiometric coefficient.
StoichiometricRatio
A ratio between two stoichiometric coefficients.
StoichiometricTerm
A stoichiometric coefficient paired with a formula.
SystematicName
A validated systematic compound name.
TheoreticalYield
A positive finite theoretical yield value.

Enums§

BondKind
A lightweight chemical bond kind label.
BondOrder
A lightweight bond order label.
BondPolarity
A lightweight bond polarity label.
BondStrength
A lightweight bond strength label.
BondValidationError
Errors returned when constructing bond values.
ChargeSign
The sign of an ionic charge.
CompoundKind
A lightweight compound classification label.
CompoundRegistry
A compound identifier registry namespace.
CompoundValidationError
Errors returned when constructing compound values.
FormulaParseError
Errors returned while parsing a formula string.
FormulaTerm
A formula term: either an element with a count or a parenthesized group.
FormulaValidationError
Errors returned when constructing formula values directly.
IonKind
A lightweight ion classification label.
IonValidationError
Errors returned when constructing ion values.
MolarMassUnit
A display unit for molar mass values.
MolarMassValidationError
Errors returned while constructing or calculating molar mass values.
MoleculeKind
A lightweight molecule classification label.
MoleculeValidationError
Errors returned when constructing molecule values.
OxidationSign
The sign of an oxidation-state value.
OxidationStateValidationError
Errors returned when constructing oxidation-state values.
ReactionArrow
A reaction arrow style.
ReactionCondition
A lightweight reaction condition label.
ReactionDirection
A lightweight reaction direction label.
ReactionKind
A lightweight reaction classification label.
ReactionSide
A reaction-side label.
ReactionValidationError
Errors returned when constructing or validating reaction values.
StoichiometryValidationError
Errors returned when constructing stoichiometry values.

Functions§

all_elements
Returns the full static element table in atomic-number order.
atomic_mass_by_atomic_number
Looks up the average atomic mass for an atomic number.
atomic_mass_by_symbol
Looks up the average atomic mass for an element symbol.
atomic_number_from_name
Looks up an atomic number from an element name using ASCII case-insensitive matching.
atomic_number_from_symbol
Looks up an atomic number from a symbol.
average_atomic_mass
Named alias for average atomic mass lookup by symbol.
electron_count_neutral_atom
Returns the electron count for a neutral atom with the given atomic number.
electron_shells
Returns the static shell distribution for an atomic number.
element_by_atomic_number
Looks up an element by atomic number.
element_by_symbol
Looks up an element by symbol using ASCII case-insensitive matching.
element_name
Returns the element name for a symbol lookup.
element_symbol
Returns the element symbol for an atomic number.
group_elements
Returns all elements in a group.
group_for_atomic_number
Returns the group for an atomic number.
hyphen_notation
Formats structurally valid isotope numbers as ASCII hyphen notation.
is_actinide
Returns true for the actinides.
is_alkali_metal
Returns true for the alkali metals.
is_alkaline_earth_metal
Returns true for the alkaline earth metals.
is_halogen
Returns true for the halogens.
is_lanthanide
Returns true for the lanthanides.
is_noble_gas
Returns true for the noble gases.
is_valid_atomic_number
Returns true when the atomic number is between 1 and 118 inclusive.
is_valid_element_symbol
Returns true when the value has a basic chemical element-symbol shape.
is_valid_isotope_numbers
Returns true when the isotope numbers are structurally valid.
isotope
Creates an isotope identity from an atomic number and mass number.
isotope_by_symbol
Creates an isotope identity from an element symbol and mass number.
isotope_neutron_count
Returns the neutron count for structurally valid isotope numbers.
isotope_nucleon_count
Returns the nucleon count for structurally valid isotope numbers.
isotope_proton_count
Returns the proton count for structurally valid isotope numbers.
isotope_symbol
Named alias for ASCII isotope notation such as C-12.
molar_mass_element
Returns the elemental molar mass in grams per mole.
outer_shell_electrons
Returns the electron count in the outermost occupied shell.
period_elements
Returns all elements in a period.
period_for_atomic_number
Returns the period for an atomic number.
proton_count
Returns the proton count for a valid atomic number.
shell_count
Returns the number of occupied shells in the static distribution.
valence_electrons_main_group
Returns a conservative main-group valence electron count.