Reorganize code into modules

CONTRIBUTING.md

@@ -14,6 +14,74 @@ with Qiskit; the general guidelines and advice still apply here.
 In addition to the general guidelines there are specific details for
 contributing to retworkx, these are documented below.
 
+### Making changes to the code
+
+Retworkx is implemented primarily in Rust with a thin layer of Python. 
+Because of that, most of your code changes will involve modifications to 
+Rust files in `src`. To understand which files you need to change, we invite
+you for an overview of our simplified source tree:
+
+```
+├── src/
+│   ├── lib.rs
+│   ├── tiny.rs
+│   ├── large/
+│   │   ├── mod.rs
+│   │   ├── pure_rust_code.rs
+│   │   └── more_pure_rust_code.rs
+```
+
+#### Module exports in `lib.rs`
+
+To add new functions, you will need to export them in `lib.rs`. `lib.rs` will
+import functions defined in Rust modules (see the next section), and export
+them to Python using `m.add_wrapped(wrap_pyfunction!(your_new_function))?;`
+
+#### Adding and changing functions in modules
+
+To add and change functions, you will need to modify module files. Modules contain pyfunctions  
+that will be exported, and can be defined either as a single file such as `tiny.rs` or as a 
+directory with `mod.rs` such as `large/`.
+
+Rust functions that are exported to Python are annotated with `#[pyfunction]`. The
+annotation gives them power to interact both with the Python interpreter and pure
+Rust code. To change an existing function, search for its name and edit the code that
+already exists.
+
+If you want to add a new function, find the module you'd like to insert it in 
+or create a new one like `your_module.rs`. Then, start with the boilerplate bellow:
+
+```rust
+/// Docstring containing description of the function
+#[pyfunction]
+#[pyo3(text_signature = "(graph, /)")]
+pub fn your_new_function(
+    py: Python,
+    graph: &graph::PyGraph,
+) -> PyResult<()> {
+    /* Your code goes here */
+}
+```
+
+> __NOTE:__  If you create a new `your_module.rs`, remember to declare and import it in `lib.rs`:
+> ```rust
+> mod your_module;
+> use your_module::your_new_function;
+> ```
+
+#### Module directories: when a single file is not enough
+
+Sometimes you will find that it is hard to organize a module in a tiny
+file like `tiny.rs`. In those cases, we suggest moving the files to a directory
+and splitting them following the structure of `large/`.
+
+Module directories have a `mod.rs` file containing the pyfunctions. The pyfunctions
+in that file then delegate most of logic by importing and calling pure Rust code from 
+`pure_rust_code.rs` and `more_pure_rust_code.rs`.
+
+> __NOTE:__ Do you still have questions about making your first contribution?
+> Contact us at the [\#retworkx channel in Qiskit Slack](https://qiskit.slack.com/messages/retworkx/)
+
 ### Tests
 
 Once you've made a code change, it is important to verify that your change

src/coloring.rs

@@ -0,0 +1,78 @@
+// Licensed under the Apache License, Version 2.0 (the "License"); you may
+// not use this file except in compliance with the License. You may obtain
+// a copy of the License at
+//
+//     http://www.apache.org/licenses/LICENSE-2.0
+//
+// Unless required by applicable law or agreed to in writing, software
+// distributed under the License is distributed on an "AS IS" BASIS, WITHOUT
+// WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the
+// License for the specific language governing permissions and limitations
+// under the License.
+
+#![allow(clippy::float_cmp)]
+
+use crate::graph;
+
+use ahash::RandomState;
+use hashbrown::{HashMap, HashSet};
+use indexmap::IndexMap;
+use std::cmp::Reverse;
+
+use pyo3::prelude::*;
+use pyo3::types::PyDict;
+use pyo3::Python;
+
+use petgraph::graph::NodeIndex;
+use petgraph::prelude::*;
+use petgraph::visit::NodeCount;
+
+use rayon::prelude::*;
+
+/// Color a PyGraph using a largest_first strategy greedy graph coloring.
+///
+/// :param PyGraph: The input PyGraph object to color
+///
+/// :returns: A dictionary where keys are node indices and the value is
+///     the color
+/// :rtype: dict
+#[pyfunction]
+#[pyo3(text_signature = "(graph, /)")]
+fn graph_greedy_color(
+    py: Python,
+    graph: &graph::PyGraph,
+) -> PyResult<PyObject> {
+    let mut colors: IndexMap<usize, usize, RandomState> =
+        IndexMap::with_hasher(RandomState::default());
+    let mut node_vec: Vec<NodeIndex> = graph.graph.node_indices().collect();
+    let mut sort_map: HashMap<NodeIndex, usize> =
+        HashMap::with_capacity(graph.node_count());
+    for k in node_vec.iter() {
+        sort_map.insert(*k, graph.graph.edges(*k).count());
+    }
+    node_vec.par_sort_by_key(|k| Reverse(sort_map.get(k)));
+    for u_index in node_vec {
+        let mut neighbor_colors: HashSet<usize> = HashSet::new();
+        for edge in graph.graph.edges(u_index) {
+            let target = edge.target().index();
+            let existing_color = match colors.get(&target) {
+                Some(node) => node,
+                None => continue,
+            };
+            neighbor_colors.insert(*existing_color);
+        }
+        let mut count: usize = 0;
+        loop {
+            if !neighbor_colors.contains(&count) {
+                break;
+            }
+            count += 1;
+        }
+        colors.insert(u_index.index(), count);
+    }
+    let out_dict = PyDict::new(py);
+    for (index, color) in colors {
+        out_dict.set_item(index, color)?;
+    }
+    Ok(out_dict.into())
+}

src/connectivity/core_number.rs

@@ -0,0 +1,96 @@
+// Licensed under the Apache License, Version 2.0 (the "License"); you may
+// not use this file except in compliance with the License. You may obtain
+// a copy of the License at
+//
+//     http://www.apache.org/licenses/LICENSE-2.0
+//
+// Unless required by applicable law or agreed to in writing, software
+// distributed under the License is distributed on an "AS IS" BASIS, WITHOUT
+// WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the
+// License for the specific language governing permissions and limitations
+// under the License.
+
+#![allow(clippy::float_cmp)]
+
+use hashbrown::{HashMap, HashSet};
+
+use pyo3::prelude::*;
+use pyo3::types::PyDict;
+use pyo3::Python;
+
+use petgraph::graph::NodeIndex;
+use petgraph::prelude::*;
+use petgraph::EdgeType;
+
+use rayon::prelude::*;
+
+pub fn core_number<Ty>(
+    py: Python,
+    graph: &StableGraph<PyObject, PyObject, Ty>,
+) -> PyResult<PyObject>
+where
+    Ty: EdgeType,
+{
+    let node_num = graph.node_count();
+    if node_num == 0 {
+        return Ok(PyDict::new(py).into());
+    }
+
+    let mut cores: HashMap<NodeIndex, usize> = HashMap::with_capacity(node_num);
+    let mut node_vec: Vec<NodeIndex> = graph.node_indices().collect();
+    let mut degree_map: HashMap<NodeIndex, usize> =
+        HashMap::with_capacity(node_num);
+    let mut nbrs: HashMap<NodeIndex, HashSet<NodeIndex>> =
+        HashMap::with_capacity(node_num);
+    let mut node_pos: HashMap<NodeIndex, usize> =
+        HashMap::with_capacity(node_num);
+
+    for k in node_vec.iter() {
+        let k_nbrs: HashSet<NodeIndex> =
+            graph.neighbors_undirected(*k).collect();
+        let k_deg = k_nbrs.len();
+
+        nbrs.insert(*k, k_nbrs);
+        cores.insert(*k, k_deg);
+        degree_map.insert(*k, k_deg);
+    }
+    node_vec.par_sort_by_key(|k| degree_map.get(k));
+
+    let mut bin_boundaries: Vec<usize> =
+        Vec::with_capacity(degree_map[&node_vec[node_num - 1]] + 1);
+    bin_boundaries.push(0);
+    let mut curr_degree = 0;
+    for (i, v) in node_vec.iter().enumerate() {
+        node_pos.insert(*v, i);
+        let v_degree = degree_map[v];
+        if v_degree > curr_degree {
+            for _ in 0..v_degree - curr_degree {
+                bin_boundaries.push(i);
+            }
+            curr_degree = v_degree;
+        }
+    }
+
+    for v_ind in 0..node_vec.len() {
+        let v = node_vec[v_ind];
+        let v_nbrs = nbrs[&v].clone();
+        for u in v_nbrs {
+            if cores[&u] > cores[&v] {
+                nbrs.get_mut(&u).unwrap().remove(&v);
+                let pos = node_pos[&u];
+                let bin_start = bin_boundaries[cores[&u]];
+                *node_pos.get_mut(&u).unwrap() = bin_start;
+                *node_pos.get_mut(&node_vec[bin_start]).unwrap() = pos;
+                node_vec.swap(bin_start, pos);
+                bin_boundaries[cores[&u]] += 1;
+                *cores.get_mut(&u).unwrap() -= 1;
+            }
+        }
+    }
+
+    let out_dict = PyDict::new(py);
+    for (v_index, core) in cores {
+        out_dict.set_item(v_index.index(), core)?;
+    }
+    Ok(out_dict.into())
+}