Struct StructureDifference 

pub struct StructureDifference {

    pub metadata: MetadataDifference,
    pub models: Option<CountDifference>,
    pub entities: Option<CountDifference>,
    pub chains: Option<CountDifference>,
    pub residues: Option<CountDifference>,
    pub atoms: Option<CountDifference>,
    pub bonds: Option<CountDifference>,
    pub changed_entities: usize,
    pub changed_chains: usize,
    pub changed_residues: usize,
    pub changed_atoms: usize,
    pub changed_bonds: usize,
    pub changed_positions: usize,
    pub maximum_displacement: Option<f32>,
}

Complete semantic difference summary for two normalised structures.

Fields

metadata: MetadataDifference

Entry-level metadata that changed.

models: Option<CountDifference>

Model counts when different.

entities: Option<CountDifference>

Entity counts when different.

chains: Option<CountDifference>

Chain counts when different.

residues: Option<CountDifference>

Residue counts when different.

atoms: Option<CountDifference>

Atom counts when different.

bonds: Option<CountDifference>

Bond counts when different.

changed_entities: usize

Corresponding entity rows with different semantic values.

changed_chains: usize

Corresponding chain rows with different semantic values.

changed_residues: usize

Corresponding residue rows with different semantic values.

changed_atoms: usize

Corresponding atom rows with different non-coordinate values.

changed_bonds: usize

Corresponding bond rows that differ.

changed_positions: usize

Corresponding model/atom positions beyond the requested tolerance.

maximum_displacement: Option<f32>

Largest finite corresponding coordinate displacement, in ångström.

Implementations

impl StructureDifference

pub fn is_empty(&self) -> bool

Whether the two normalised structures are semantically equivalent.

Trait Implementations

impl Clone for StructureDifference

fn clone(&self) -> Self

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for StructureDifference

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

Formats the value using the given formatter.

impl PartialEq for StructureDifference

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

Equality operator ==.

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

Inequality operator !=.

impl StructuralPartialEq for StructureDifference