Skip to content

Bindings 2: List Version for Python #126

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
merged 3 commits into from
Mar 22, 2021
Merged

Bindings 2: List Version for Python #126

Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
f2b7dc7
Added ability to run lists of energy-angle coords for simple_bca.
drobnyjt Mar 20, 2021
8d1d93f
Updates to bindings.
drobnyjt Mar 22, 2021
bd7dca1
Delete RustBCA.c
drobnyjt Mar 22, 2021
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
23 changes: 22 additions & 1 deletion src/lib.rs
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -70,6 +70,7 @@ pub use crate::parry::{ParryBall, ParryBallInput, InputParryBall, ParryTriMesh,
#[pymodule]
pub fn pybca(py: Python, m: &PyModule) -> PyResult<()> {
m.add_function(wrap_pyfunction!(simple_bca_py, m)?)?;
m.add_function(wrap_pyfunction!(simple_bca_list_py, m)?)?;
Ok(())
}

Expand All @@ -78,7 +79,6 @@ pub struct OutputBCA {
len: usize,
pub particles: *mut [f64; 9],
}

#[no_mangle]
pub extern "C" fn simple_bca_c(x: f64, y: f64, z: f64, ux: f64, uy: f64, uz: f64, E1: f64, Z1: f64, m1: f64, Ec1: f64, Es1: f64, Z2: f64, m2: f64, Ec2: f64, Es2: f64, n2: f64, Eb2: f64) -> OutputBCA {
let mut output = simple_bca(x, y, z, ux, uy, uz, E1, Z1, m1, Ec1, Es1, Z2, m2, Ec2, Es2, n2, Eb2);
Expand All @@ -97,6 +97,27 @@ pub fn simple_bca_py(x: f64, y: f64, z: f64, ux: f64, uy: f64, uz: f64, E1: f64,
simple_bca(x, y, z, ux, uy, uz, E1, Z1, m1, Ec1, Es1, Z2, m2, Ec2, Es2, n2, Eb2)
}

#[pyfunction]
pub fn simple_bca_list_py(energies: Vec<f64>, usx: Vec<f64>, usy: Vec<f64>, usz: Vec<f64>, Z1: f64, m1: f64, Ec1: f64, Es1: f64, Z2: f64, m2: f64, Ec2: f64, Es2: f64, n2: f64, Eb2: f64) -> Vec<[f64; 9]> {

assert_eq!(energies.len(), usx.len());
assert_eq!(energies.len(), usy.len());
assert_eq!(energies.len(), usz.len());

let x = -2.*(n2*10E30).powf(-1./3.)/SQRTPI*2.;
let y = 0.0;
let z = 0.0;

let mut total_output = vec![];
for (((E1, ux), uy), uz) in energies.iter().zip(usx).zip(usy).zip(usz) {
let output = simple_bca(x, y, z, ux, uy, uz, *E1, Z1, m1, Ec1, Es1, Z2, m2, Ec2, Es2, n2, Eb2);
for particle in output {
total_output.push(particle);
}
}
total_output
}

pub fn simple_bca(x: f64, y: f64, z: f64, ux: f64, uy: f64, uz: f64, E1: f64, Z1: f64, m1: f64, Ec1: f64, Es1: f64, Z2: f64, m2: f64, Ec2: f64, Es2: f64, n2: f64, Eb2: f64) -> Vec<[f64; 9]> {

#[cfg(feature = "distributions")]
Expand Down