Merge pull request #1 from SuperFluffy/2018_edition

2018 edition

Cargo.toml

@@ -1,6 +1,7 @@
 [package]
 name = "gramschmidt"
-version = "0.4.1"
+version = "0.5.0"
+edition = "2018"
 authors = ["Richard Janis Goldschmidt <janis.beckert@gmail.com>"]
 license = "MIT"
 description = "Classical, Modified, Reorthogonalized Gram Schmidt Orthogonalization and QR decompostion"
@@ -10,16 +11,11 @@ repository = "https://github.com/SuperFluffy/gramschmidt-rs"
 readme = "README.md"
 
 [dependencies]
-ndarray = "0.11"
-
-[dependencies.cblas]
-version = "0.1.5"
-default-features = false
+cblas = "0.2.0"
+ndarray = "0.12.1"
 
 [dev-dependencies]
-lazy_static = "1.0"
-ndarray-rand = "0.7"
-rand = "0.4"
-
-[dev-dependencies.openblas-src]
-version = "0.5.6"
+lazy_static = "1.3.0"
+ndarray-rand = "0.9.0"
+openblas-src = "0.7.0"
+rand = "0.6.5"

README.md

@@ -11,27 +11,36 @@ This crate provides the following methods:
 # Usage
 
 ```rust
-extern crate gramschmidt;
-extern crate ndarray;
-
 // Import openblas_src or another blas source to have the linker find all symbols.
 extern crate openblas_src;
 
-fn main() {
+use gramschmidt::{
+    GramSchmidt,
+    Reorthogonalized,
+    Result,
+};
+use ndarray::arr2;
+
+fn main() -> Result<()> {
     let small_matrix = arr2(
         &[[2.0, 0.5, 0.0, 0.0],
           [0.0, 0.3, 0.0, 0.0],
           [0.0, 1.0, 0.7, 0.0],
           [0.0, 0.0, 0.0, 3.0]]
     );
-    let mut cgs2 = ReorthogonalizedGramSchmidt::from_matrix(&small_matrix);
-    cgs2.compute(&small_matrix);
+    let mut cgs2 = Reorthogonalized::from_matrix(&small_matrix)?;
+    cgs2.compute(&small_matrix)?;
     assert!(small_matrix.all_close(&cgs2.q().dot(cgs2.r()), 1e-14));
+    Ok(())
 }
 ```
 
 # Recent versions
 
++ `0.5.0`: Refactored the library and updated for edition 2018
+    + the Gram Schmidt factorizations are now all implemented via the `GramSchmidt` trait;
+    + introduce some error handling;
+    + provide convenience functions `cgs`, `cgs2`, and `mgs`.
 + `0.4.1`: Fixed doc tests and expanded + simplified tests.
 + `0.4.0`: Major rework of the library structure:
     + The algorithms are now configured via structs, the traits are dropped.

benches/matrix_sizes.rs

@@ -2,16 +2,17 @@
 
 #![allow(non_snake_case)]
 
-extern crate gram_schmidt;
-extern crate ndarray;
+// extern crate gram_schmidt;
+// extern crate ndarray;
 extern crate openblas_src;
 
 extern crate test; // Built-in crate for benchmarking.
 
-use gram_schmidt::{
-    ClassicalGramSchmidt,
-    ModifiedGramSchmidt,
-    ReorthogonalizedGramSchmidt,
+use gramschmidt::{
+    GramSchmidt,
+    Classical,
+    Modified,
+    Reorthogonalized,
 };
 
 use ndarray::prelude::*;
@@ -51,61 +52,61 @@ use ndarray::prelude::*;
 // }
 
 macro_rules! create_bench {
-    (c $n:expr, $name:ident, $method_constructor:path) => {
+    (c $n:expr, $name:ident, $method:ty) => {
         #[bench]
         fn $name(bench: &mut test::Bencher) {
             let n = $n;
 
             let matrix = Array2::eye(n);
-            let mut method = $method_constructor(&matrix);
+            let mut method = <$method>::from_matrix(&matrix).unwrap();
             let method = test::black_box(&mut method);
 
             bench.iter(|| {
-                method.compute(&matrix);
+                method.compute(&matrix).unwrap();
             });
         }
     };
 
-    (f $n:expr, $name:ident, $method_constructor:path) => {
+    (f $n:expr, $name:ident, $method:ty) => {
         #[bench]
         fn $name(bench: &mut test::Bencher) {
             let n = $n;
 
             let matrix = Array2::eye(n).reversed_axes();
-            let mut method = $method_constructor(&matrix);
+            let mut method = <$method>::from_matrix(&matrix).unwrap();
             let method = test::black_box(&mut method);
 
             bench.iter(|| {
-                method.compute(&matrix);
+                method.compute(&matrix).unwrap();
             });
         }
     };
 }
 
 macro_rules! bench_sizes {
     (c $n:expr, $name_cgs:ident, $name_mgs: ident, $name_cgs2: ident) => {
-        create_bench!(c $n, $name_cgs, ClassicalGramSchmidt::from_matrix);
-        create_bench!(c $n, $name_cgs2, ReorthogonalizedGramSchmidt::from_matrix);
-        create_bench!(c $n, $name_mgs, ModifiedGramSchmidt::from_matrix);
+        create_bench!(c $n, $name_cgs, Classical);
+        create_bench!(c $n, $name_cgs2, Reorthogonalized);
+        create_bench!(c $n, $name_mgs, Modified);
     };
 
     (f $n:expr, $name_cgs:ident, $name_mgs: ident, $name_cgs2: ident) => {
-        create_bench!(f $n, $name_cgs, ClassicalGramSchmidt::from_matrix);
-        create_bench!(f $n, $name_cgs2, ReorthogonalizedGramSchmidt::from_matrix);
-        create_bench!(f $n, $name_mgs, ModifiedGramSchmidt::from_matrix);
+        create_bench!(f $n, $name_cgs, Classical);
+        create_bench!(f $n, $name_cgs2, Reorthogonalized);
+        create_bench!(f $n, $name_mgs, Modified);
     };
 }
 
 bench_sizes!(c  256, c_cgs__256, c_mgs__256, c_cgs2__256);
 bench_sizes!(c  512, c_cgs__512, c_mgs__512, c_cgs2__512);
-bench_sizes!(c  768, c_cgs__768, c_mgs__768, c_cgs2__768);
-bench_sizes!(c 1024, c_cgs_1024, c_mgs_1024, c_cgs2_1024);
+// bench_sizes!(c  768, c_cgs__768, c_mgs__768, c_cgs2__768);
+// bench_sizes!(c 1024, c_cgs_1024, c_mgs_1024, c_cgs2_1024);
 // bench_sizes!(c 1536, c_cgs_1536, c_mgs_1536, c_cgs2_1536);
 // bench_sizes!(c 2048, c_cgs_2048, c_mgs_2048, c_cgs2_2048);
 
 bench_sizes!(f  256, f_cgs__256, f_mgs__256, f_cgs2__256);
 bench_sizes!(f  512, f_cgs__512, f_mgs__512, f_cgs2__512);
-bench_sizes!(f  768, f_cgs__768, f_mgs__768, f_cgs2__768);
-bench_sizes!(f 1024, f_cgs_1024, f_mgs_1024, f_cgs2_1024);
+// bench_sizes!(f  768, f_cgs__768, f_mgs__768, f_cgs2__768);
+// bench_sizes!(f 1024, f_cgs_1024, f_mgs_1024, f_cgs2_1024);
 // bench_sizes!(f 1536, f_cgs_1536, f_mgs_1536, f_cgs2_1536);
 // bench_sizes!(f 2048, f_cgs_2048, f_mgs_2048, f_cgs2_2048);