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First pass of library error messages. #129

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Merged
merged 1 commit into from
Mar 24, 2021
Merged

First pass of library error messages. #129

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2 changes: 1 addition & 1 deletion src/bca.rs
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Original file line number Diff line number Diff line change
Expand Up @@ -189,7 +189,7 @@ pub fn single_ion_bca<T: Geometry>(particle: particle::Particle, material: &mate

#[cfg(feature = "accelerated_ions")]
let distance_traveled = particle::particle_advance(&mut particle_1,
binary_collision_geometries[0].mfp + distance_to_target, total_asymptotic_deflection);
binary_collision_geometries[0].mfp + distance_to_target - material.geometry.get_energy_barrier_thickness(), total_asymptotic_deflection);

//Subtract total energy from all simultaneous collisions and electronic stopping
bca::update_particle_energy(&mut particle_1, &material, distance_traveled,
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7 changes: 6 additions & 1 deletion src/lib.rs
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Expand Up @@ -79,6 +79,7 @@ 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 @@ -104,7 +105,7 @@ pub fn simple_bca_list_py(energies: Vec<f64>, usx: Vec<f64>, usy: Vec<f64>, usz:
assert_eq!(energies.len(), usy.len());
assert_eq!(energies.len(), usz.len());

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

Expand All @@ -120,6 +121,10 @@ pub fn simple_bca_list_py(energies: Vec<f64>, usx: Vec<f64>, usy: Vec<f64>, usz:

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]> {

assert!(E1 > 0.0, "Error: Incident energy cannot be less than or equal to 0.");
assert!(Ec1 > 0.0, "Error: Cutoff energy cannot be less than or equal to 0.");
assert!(Ec2 > 0.0, "Error: Cutoff energy cannot be less than or equal to 0.");

#[cfg(feature = "distributions")]
let options = Options {
name: "test".to_string(),
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