qualia_core_db::domains::chemical::organic_chemistry

Struct GreenMetrics

pub struct GreenMetrics {
    pub atom_economy_pct: f64,
    pub yield_corrected_ae_pct: f64,
    pub e_factor: f64,
    pub process_mass_intensity: f64,
    pub reaction_mass_efficiency_pct: f64,
    pub carbon_efficiency_pct: f64,
}

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§atom_economy_pct: f64

Trost 1991: desired product MW / sum of all reactant MWs × 100 %

§yield_corrected_ae_pct: f64

Yield-corrected AE (YAAE)

§e_factor: f64

Sheldon 1992: kg waste / kg desired product

§process_mass_intensity: f64

Mass-based E-factor considering all inputs including solvents

§reaction_mass_efficiency_pct: f64

Andraos 2005: kg product / kg total reactants × 100 %

§carbon_efficiency_pct: f64

Carbon efficiency: C atoms in product / C atoms in reactants × 100 %

Trait Implementations§

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impl Clone for GreenMetrics

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fn clone(&self) -> GreenMetrics

Returns a duplicate of the value. Read more

1.0.0 (const: unstable) · Source§

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

Performs copy-assignment from source. Read more

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impl Debug for GreenMetrics

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

Formats the value using the given formatter. Read more

Auto Trait Implementations§

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impl UnwindSafe for GreenMetrics

Blanket Implementations§

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impl<S, A> Aggregate<Result<S, Error>> for A
where A: Aggregate<S>,

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fn from_shares<T>(iter: T) -> Result<A, Error>
where T: IntoIterator<Item = Result<S, Error>>,

Aggregate shares in an MPC protocol.

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impl<T> Any for T
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fn type_id(&self) -> TypeId

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Immutably borrows from an owned value. Read more

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impl<T> BorrowMut<T> for T
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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

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impl<T> CloneToUninit for T
where T: Clone,

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)

Performs copy-assignment from self to dest. Read more

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impl<T> Downcast<T> for T

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fn downcast(&self) -> &T

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impl<T> From<T> for T

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fn from(t: T) -> T

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impl<T> FromRef<T> for T
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fn from_ref(input: &T) -> T

Converts to this type from a reference to the input type.

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fn instrument(self, span: Span) -> Instrumented<Self>

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Converts self into a Left variant of Either<Self, Self> if into_left is true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
where F: FnOnce(&Self) -> bool,

Converts self into a Left variant of Either<Self, Self> if into_left(&self) returns true. Converts self into a Right variant of Either<Self, Self> otherwise. Read more

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