Struct gchemol_graph::NxGraph

pub struct NxGraph<N, E> where
    N: Default,
    E: Default,  { /* fields omitted */ }

networkx-like API wrapper around petgraph

Methods

impl<N, E> NxGraph<N, E> where
    N: Default,
    E: Default, 

Build/Read/Edit Graph

Example

use gchemol_graph::NxGraph;
 
let mut g = NxGraph::path_graph(2);
let u = g.add_node(2);
let v = g.add_node(3);
g.add_edge(u, v, 5);
 
assert!(g.has_node(u));
assert!(g.has_edge(u, v));
 
// loop over neighbors of node u
for x in g.neighbors(u) {
    dbg!(x);
}

pub fn new() -> Self

Build a default Graph

pub fn neighbors(&self, n: NodeIndex) -> impl Iterator<Item = NodeIndex> + '_

Returns an iterator over all neighbors of node n.

Reference

• https://networkx.github.io/documentation/stable/reference/classes/generated/networkx.Graph.neighbors.html

pub fn node_indices(&self) -> impl Iterator<Item = NodeIndex> + '_

Return an iterator over the node indices of the graph

pub fn has_node(&self, n: NodeIndex) -> bool

Returns true if the graph contains the node n.

pub fn has_edge(&self, u: NodeIndex, v: NodeIndex) -> bool

Returns true if the edge (u, v) is in the graph.

pub fn number_of_nodes(&self) -> usize

Returns the number of nodes in the graph.

pub fn number_of_edges(&self) -> usize

Returns the number of edges in the graph.

pub fn add_node(&mut self, data: N) -> NodeIndex

Add a node with associated data into graph.

pub fn add_nodes_from<M: IntoIterator<Item = N>>(
    &mut self,
    nodes: M
) -> Vec<NodeIndex>

Add multiple nodes.

pub fn add_edge(&mut self, u: NodeIndex, v: NodeIndex, data: E)

Add an edge with data between u and v (no parallel edge).

pub fn add_edges_from<M: IntoIterator<Item = (NodeIndex, NodeIndex, E)>>(
    &mut self,
    edges: M
)

Add multiple edges from edges.

pub fn remove_edge(&mut self, node1: NodeIndex, node2: NodeIndex) -> Option<E>

Remove an edge between node1 and node2. Return None if trying to remove a non-existent edge.

pub fn remove_node(&mut self, n: NodeIndex) -> Option<N>

Removes the node n and all adjacent edges. Return None if trying to remove a non-existent node.

pub fn clear(&mut self)

Remove all nodes and edges

pub fn clear_edges(&mut self)

Remove all edges

impl NxGraph<usize, usize>

pub fn path_graph(n: usize) -> Self

Returns the Path graph P_n of linearly connected nodes. Node data and edge data are usize type, mainly for test purpose.

impl<N, E> NxGraph<N, E> where
    N: Default,
    E: Default, 

Node view and Edge view for NxGraph.

Example

use gchemol_graph::NxGraph;
 
let mut g = NxGraph::path_graph(3);
let u = g.add_node(5);
let v = g.add_node(2);
let w = g.add_node(1);
g.add_edge(u, v, 7);
g.add_edge(u, w, 6);
 
// loop over nodes
for (node_index, node_data) in g.nodes() {
    // do something
}
 
// get node data of node `u`
let nodes = g.nodes();
let node_u = nodes[u];
assert_eq!(node_u, 5);
 
// Collect nodes into HashMap
let nodes: std::collections::HashMap<_, _> = g.nodes().collect();
assert_eq!(nodes.len(), 6);
 
// loop over edges
for (u, v, edge_data) in g.edges() {
    // dbg!(u, v, edge_data)
}
 
// get edge data
let edges = g.edges();
let edge_uv = edges[(u, v)];
assert_eq!(edge_uv, 7);

Important traits for Nodes<'a, N, E>

impl<'a, N, E> Iterator for Nodes<'a, N, E> where
    N: Default,
    E: Default,  type Item = (NodeIndex, &'a N);

pub fn nodes(&self) -> Nodes<N, E>

A Node view of the Graph.

Reference

• https://networkx.github.io/documentation/stable/reference/classes/generated/networkx.Graph.nodes.html

Important traits for Edges<'a, N, E>

impl<'a, N, E> Iterator for Edges<'a, N, E> where
    N: Default,
    E: Default,  type Item = (NodeIndex, NodeIndex, &'a E);

pub fn edges(&self) -> Edges<N, E>

An Edge view of the Graph.

Reference

• https://networkx.github.io/documentation/stable/reference/classes/generated/networkx.Graph.edges.html

Trait Implementations

impl<N: Clone, E: Clone> Clone for NxGraph<N, E> where
    N: Default,
    E: Default, 

fn clone(&self) -> NxGraph<N, E>

Returns a copy of the value.

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

Performs copy-assignment from source.

impl<N: Debug, E: Debug> Debug for NxGraph<N, E> where
    N: Default,
    E: Default, 

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

Formats the value using the given formatter.

impl<N: Default, E: Default> Default for NxGraph<N, E> where
    N: Default,
    E: Default, 

fn default() -> NxGraph<N, E>

Returns the "default value" for a type.

impl<'de, N, E> Deserialize<'de> for NxGraph<N, E> where
    N: Default,
    E: Default,
    N: Deserialize<'de>,
    E: Deserialize<'de>, 

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error> where
    __D: Deserializer<'de>, 

Deserialize this value from the given Serde deserializer.

impl<N, E> Index<(NodeIndex<u32>, NodeIndex<u32>)> for NxGraph<N, E> where
    N: Default,
    E: Default, 

type Output = E

The returned type after indexing.

fn index(&self, e: (NodeIndex, NodeIndex)) -> &Self::Output

Performs the indexing (container[index]) operation.

impl<N, E> Index<NodeIndex<u32>> for NxGraph<N, E> where
    N: Default,
    E: Default, 

type Output = N

The returned type after indexing.

fn index(&self, n: NodeIndex) -> &Self::Output

Performs the indexing (container[index]) operation.

impl<N, E> IndexMut<(NodeIndex<u32>, NodeIndex<u32>)> for NxGraph<N, E> where
    N: Default,
    E: Default, 

fn index_mut(&mut self, e: (NodeIndex, NodeIndex)) -> &mut Self::Output

Performs the mutable indexing (container[index]) operation.

impl<N, E> IndexMut<NodeIndex<u32>> for NxGraph<N, E> where
    N: Default,
    E: Default, 

fn index_mut(&mut self, n: NodeIndex) -> &mut Self::Output

Performs the mutable indexing (container[index]) operation.

impl<N, E> Serialize for NxGraph<N, E> where
    N: Default,
    E: Default,
    N: Serialize,
    E: Serialize, 

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

Serialize this value into the given Serde serializer.