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Bead

cgkitten

Struct Bead 

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pub struct Bead {
    pub x: f64,
    pub y: f64,
    pub z: f64,
    pub charge: f64,
    pub mass: f64,
    pub res_name: String,
    pub chain_id: String,
    pub res_seq: i32,
    pub bead_type: BeadType,
}
Expand description

A coarse-grained bead with position and charge.

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§x: f64

X coordinate in Ångströms.

§y: f64

Y coordinate in Ångströms.

§z: f64

Z coordinate in Ångströms.

§charge: f64

Partial charge in elementary charge units.

§mass: f64

Mass in Da (sum of constituent atom masses).

§res_name: String

Source residue name (e.g., “ALA”, “ZN”).

§chain_id: String

Chain identifier.

§res_seq: i32

Residue sequence number.

§bead_type: BeadType

Bead classification.

Trait Implementations§

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impl Clone for Bead

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fn clone(&self) -> Bead

Returns a duplicate of the value. Read more
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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl Debug for Bead

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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 Freeze for Bead

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impl RefUnwindSafe for Bead

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impl Send for Bead

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impl Sync for Bead

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impl Unpin for Bead

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impl UnsafeUnpin for Bead

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impl UnwindSafe for Bead

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.
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impl<V, T> VZip<V> for T
where V: MultiLane<T>,

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fn vzip(self) -> V