Struct System 

pub struct System { /* private fields */ }

Implementations

impl System

pub fn new() -> Self

Create an empty system at 25 °C (298.15 K).

pub fn temperature(self, t: f64) -> Self

Set the temperature in Kelvin.

pub fn monomer(self, name: &str, total_concentration: f64) -> Self

Add a monomer species with a given total concentration (molar).

pub fn complex( self, name: &str, composition: &[(&str, usize)], delta_g: f64, ) -> Self

Add a complex with the given composition and standard free energy of formation.

Arguments

• name — unique identifier for this complex (must not collide with monomer names)
• composition — slice of (monomer_name, count) pairs specifying how many of each monomer strand appear in the complex
• delta_g — ΔG° in kcal/mol at a 1 M standard state. This is the standard free energy of complex formation from its constituent monomers. Values from NUPACK or other tools that use a water-molarity standard state need a correction of +(n-1)·RT·ln(c_water) where n is the number of strands.

pub fn get_temperature(&self) -> f64

Current temperature in Kelvin.

pub fn monomer_count(&self) -> usize

Number of monomers added so far.

pub fn complex_count(&self) -> usize

Number of complexes added so far.

pub fn equilibrium(&self) -> Result<Equilibrium, EquilibriumError>

Solve for equilibrium concentrations.

Validates all inputs and returns an error if any are invalid.

Trait Implementations

impl Clone for System

fn clone(&self) -> System

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for System

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

Formats the value using the given formatter.

impl Default for System

fn default() -> Self

Returns the “default value” for a type.