Lattice: add from_matrix method

Cargo.toml

@@ -3,23 +3,23 @@
 # [[file:~/Workspace/Programming/gchemol-rs/lattice/lattice.note::*cargo][cargo:1]]
 [package]
 name = "gchemol-lattice"
-version = "0.0.5"
+version = "0.0.6"
 edition = "2018"
 authors = ["Wenping Guo <ybyygu@gmail.com>"]
 description = "Periodic 3D crystal lattice"
 homepage = "https://github.com/gchemol/lattice"
 repository = "https://github.com/gchemol/lattice"
 license = "MIT OR Apache-2.0"
+exclude = ["bin/*", "docs/*", "ltxpng/*", "data/*"]
 
 [dependencies]
 serde = {version="1", features = ["derive"]}
 vecfx = {version="0.0.8", features = ["nalgebra"]}
-gchemol-gut = "0.0.8"
+gchemol-gut = "0.1"
 
 [dev-dependencies]
 approx = "0.3"
 
 [features]
-# for adhoc hacking
-adhoc = []
+adhoc = [] # for adhoc hacking
 # cargo:1 ends here

src/lib.rs

@@ -10,7 +10,7 @@
 //        AUTHOR:  Wenping Guo <ybyygu@gmail.com>
 //       LICENCE:  GPL version 3
 //       CREATED:  <2018-04-29 14:27>
-//       UPDATED:  <2020-02-07 Fri 15:54>
+//       UPDATED:  <2020-02-14 Fri 12:19>
 //===============================================================================#
 // header:1 ends here
 
@@ -62,7 +62,15 @@ impl Default for Lattice {
 
 // [[file:~/Workspace/Programming/gchemol-rs/lattice/lattice.note::*api][api:1]]
 impl Lattice {
-    pub fn new<T: Into<Matrix3f>>(tvs: T) -> Self {
+    /// Construct `Lattice` from three lattice vectors.
+    pub fn new<T: Into<Vector3f> + Copy>(tvs: [T; 3]) -> Self {
+        let vectors = [tvs[0].into(), tvs[1].into(), tvs[2].into()];
+        let matrix = Matrix3f::from_columns(&vectors);
+        Self::from_matrix(matrix)
+    }
+
+    /// Construct `Lattice` from lattice matrix (3x3).
+    pub fn from_matrix<T: Into<Matrix3f>>(tvs: T) -> Self {
         let matrix = tvs.into();
         let inv_matrix = get_inv_matrix(&matrix);
         Lattice {

tests/basic.rs

@@ -33,6 +33,11 @@ fn test_lattice_construct() {
     let lat = Lattice::from_params(a, b, c, alpha, beta, gamma);
     assert_eq!([a, b, c], lat.lengths());
     assert_eq!([alpha, beta, gamma], lat.angles());
+
+    let vectors = lat.vectors();
+    let _ = Lattice::new(vectors);
+    let mat = lat.matrix();
+    let _ = Lattice::from_matrix(mat);
 }
 
 #[test]