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BondOrder

Enum BondOrder 

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pub enum BondOrder {
    Single = 1,
    Double = 2,
    Triple = 3,
    Aromatic = 4,
    SingleOrDouble = 5,
    SingleOrAromatic = 6,
    DoubleOrAromatic = 7,
    Any = 8,
    Coordination = 9,
    Hydrogen = 10,
}
Expand description

Bond order types as defined in the SDF specification.

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Single = 1

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Double = 2

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Triple = 3

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Aromatic = 4

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SingleOrDouble = 5

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SingleOrAromatic = 6

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DoubleOrAromatic = 7

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Any = 8

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Coordination = 9

Dative/coordinate bond (V3000 only).

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Hydrogen = 10

Hydrogen bond (V3000 only).

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impl BondOrder

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pub fn from_sdf(value: u8) -> Option<Self>

Creates a BondOrder from an SDF bond type value.

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pub fn to_sdf(&self) -> u8

Converts to SDF bond type value.

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pub fn order(&self) -> f64

Returns the nominal bond order as a float (for aromatic bonds, returns 1.5).

Trait Implementations§

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impl Clone for BondOrder

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fn clone(&self) -> BondOrder

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 Copy for BondOrder

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impl Debug for BondOrder

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

Formats the value using the given formatter. Read more
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impl Eq for BondOrder

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impl Hash for BondOrder

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fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher. Read more
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fn hash_slice<H>(data: &[Self], state: &mut H)
where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher. Read more
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impl PartialEq for BondOrder

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fn eq(&self, other: &BondOrder) -> bool

Tests for self and other values to be equal, and is used by ==.
1.0.0 (const: unstable) · Source§

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.
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impl StructuralPartialEq for BondOrder

Auto Trait Implementations§

Blanket Implementations§

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impl<T> Any for T
where T: 'static + ?Sized,

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more
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impl<T> Borrow<T> for T
where T: ?Sized,

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fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more
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impl<T> BorrowMut<T> for T
where T: ?Sized,

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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> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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impl<T, U> Into<U> for T
where U: From<T>,

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fn into(self) -> U

Calls U::from(self).

That is, this conversion is whatever the implementation of From<T> for U chooses to do.

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

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type Owned = T

The resulting type after obtaining ownership.
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fn to_owned(&self) -> T

Creates owned data from borrowed data, usually by cloning. Read more
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fn clone_into(&self, target: &mut T)

Uses borrowed data to replace owned data, usually by cloning. Read more
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impl<T, U> TryFrom<U> for T
where U: Into<T>,

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type Error = Infallible

The type returned in the event of a conversion error.
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fn try_from(value: U) -> Result<T, <T as TryFrom<U>>::Error>

Performs the conversion.
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impl<T, U> TryInto<U> for T
where U: TryFrom<T>,

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type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.
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fn try_into(self) -> Result<U, <U as TryFrom<T>>::Error>

Performs the conversion.