Struct MaximumContactMapOverlap 

pub struct MaximumContactMapOverlap { /* private fields */ }

The Maximum Contact Map Overlap problem.

Given two finite ordered contact maps G_1 = (V_1, E_1) and G_2 = (V_2, E_2), find an order-preserving partial injective alignment f: V_1 -> V_2 union {bot} that maximizes the number of preserved contacts

|{{i, k} in E_1 : i, k both matched and {f(i), f(k)} in E_2}|.

Configuration encoding

dims() returns vec![|V_2| + 1; |V_1|]. For each source vertex i, config[i] = 0 denotes bot (unmatched) and config[i] = j + 1 denotes “matched to vertex j in V_2”. Feasibility requires that the nonzero entries are pairwise distinct (injectivity) and strictly increasing along the index order of V_1 (order-preserving).

Implementations

impl MaximumContactMapOverlap

pub fn new( num_vertices_1: usize, contacts_1: Vec<(usize, usize)>, num_vertices_2: usize, contacts_2: Vec<(usize, usize)>, ) -> Self

Construct a new instance from two ordered contact maps.

Contacts are canonicalized to (min, max) pairs. Self-loops, duplicate contacts (after normalization), and out-of-range endpoints panic.

pub fn num_vertices_1(&self) -> usize

Number of ordered residues/vertices in G_1.

pub fn num_vertices_2(&self) -> usize

Number of ordered residues/vertices in G_2.

pub fn num_contacts_1(&self) -> usize

Number of contacts in G_1.

pub fn num_contacts_2(&self) -> usize

Number of contacts in G_2.

pub fn contacts_1(&self) -> &[(usize, usize)]

Contacts of G_1 as canonicalized (u, v) pairs with u < v.

pub fn contacts_2(&self) -> &[(usize, usize)]

Contacts of G_2 as canonicalized (u, v) pairs with u < v.

pub fn is_valid_solution(&self, config: &[usize]) -> bool

Check that config describes an order-preserving partial injective alignment.

Validity requires: config.len() == |V_1|, every entry lies in 0..=|V_2| (with 0 denoting bot), all nonzero entries are pairwise distinct (injectivity), and the nonzero entries are strictly increasing in source order.

pub fn preserved_contact_count(&self, config: &[usize]) -> Option<usize>

Count contacts of G_1 preserved by the alignment config. Returns None if config is infeasible.

Trait Implementations

impl Clone for MaximumContactMapOverlap

fn clone(&self) -> MaximumContactMapOverlap

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for MaximumContactMapOverlap

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for MaximumContactMapOverlap

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for MaximumContactMapOverlap

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

Tests for self and other values to be equal, and is used by ==.

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

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

impl Problem for MaximumContactMapOverlap

const NAME: &'static str = "MaximumContactMapOverlap"

Base name of this problem type (e.g., “MaximumIndependentSet”).

type Value = Max<i64>

The evaluation value type.

fn variant() -> Vec<(&'static str, &'static str)>

Returns variant attributes derived from type parameters.

fn dims(&self) -> Vec<usize>

Configuration space dimensions. Each entry is the cardinality of that variable.

fn evaluate(&self, config: &[usize]) -> Max<i64>

Evaluate the problem on a configuration.

fn num_variables(&self) -> usize

Number of variables (derived from dims).

fn problem_type() -> ProblemType

Look up this problem’s catalog entry.

impl ReduceTo<ILP> for MaximumContactMapOverlap

type Result = ReductionCMOToILP

The reduction result type.

fn reduce_to(&self) -> Self::Result

Reduce this problem to the target problem type.

impl Serialize for MaximumContactMapOverlap

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl DeclaredVariant for MaximumContactMapOverlap

impl Eq for MaximumContactMapOverlap

impl StructuralPartialEq for MaximumContactMapOverlap