coordgen 0.2.1

A thin rust wrapper around coordgen
Documentation 
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# coordgen-rs
A thin wrapper around [coordgen](https://github.com/schrodinger/coordgenlibs).

This exposes a pair of functions that interface with `libcoordgen` to generate 2D coordinates
for a molecule given its connectivity. The purpose of this crate is to simply generate the
coordinates, it does not perform any drawing functionality on its own.

Requires `CMake` version 3.2 or later, a `Boost` installation, a `c++` compiler supporting `c++11`.
These requirements are inherited from the original project.
This will not compile on windows.

This crate is not endorsed or supported by the original authors of `coordgen`.

## Molecular Graphs
Molecular graphs can be represented a few different ways. This crate adopts an opinionated
definition where molecular graphs are undirected simple graphs with atomic numbers as node
labels and bond multiplicities as edge labels.

## Implementation
This implementation defines a simple wrapper function with a C-like interface that is
essentially a modified version of the example in the `coordgen` repository. This wrapper does
not allow for any configuration.

## Versioning
| crate version | `coordgen` version |
| --- | --- |
| `^0.1.0` | `2.0.3` |

## Example
```rust
// this corresponds to an equivalent to the example in
// https://github.com/schrodinger/coordgenlibs/blob/master/example_dir/example.cpp

// the molecule has a carbon (idx 0) and a nitrogen (idx 1)
let atoms = vec![6u8, 7];
// it has one single bond connecting the two atoms with 
let bonds = vec![[0u16, 1, 1]];

let coords = coordgen::gen_coords(&atoms, &bonds).unwrap();
assert_eq!(coords, vec![(-50.0, 0.0), (0.0, 0.0)])
```