Migrate commandline interface to clap (#49)

* Migrate commandline interface to clap

* Use an older approach

* Fix happy accidents

* Make docs compatible with 0.6

* Re-format that code

Cargo.toml

@@ -1,6 +1,6 @@
 [package]
 name = "vegas-lattice"
-version = "0.5.2"
+version = "0.6.0"
 authors = ["Oscar David Arbeláez Echeverri <[email protected]>"]
 description = "CLI and library to work with lattices"
 documentation = "https://docs.rs/vegas-lattice"
@@ -20,6 +20,6 @@ maintenance = { status = "actively-developed" }
 [dependencies]
 serde_json = "1.0"
 serde = { version = "1.0", features = ["derive"] }
-docopt = "1.1"
 image = "0.24"
 rand = "0.8"
+clap = { version = "4.5.16", features = ["cargo"] }

docs/bcc.json

@@ -1,21 +1,17 @@
 {
-  "size": [
-    1.0,
-    1.0,
-    1.0
-  ],
+  "size": [1.0, 1.0, 1.0],
   "sites": [
-    {"kind": "A", "position": [0.0, 0.0, 0.0], "tags": null},
-    {"kind": "B", "position": [0.0, 0.0, 0.0], "tags": null}
+    { "kind": "A", "position": [0.0, 0.0, 0.0], "tags": null },
+    { "kind": "B", "position": [0.5, 0.5, 0.5], "tags": null }
   ],
   "vertices": [
-    {"source": 0, "target": 1, "delta": [0, 0, 0], "tags": null},
-    {"source": 0, "target": 1, "delta": [0, -1, 0], "tags": null},
-    {"source": 0, "target": 1, "delta": [-1, 0, 0], "tags": null},
-    {"source": 0, "target": 1, "delta": [-1, -1, 0], "tags": null},
-    {"source": 0, "target": 1, "delta": [0, 0, -1], "tags": null},
-    {"source": 0, "target": 1, "delta": [0, -1, -1], "tags": null},
-    {"source": 0, "target": 1, "delta": [-1, 0, -1], "tags": null},
-    {"source": 0, "target": 1, "delta": [-1, -1, -1], "tags": null}
+    { "source": 0, "target": 1, "delta": [0, 0, 0], "tags": null },
+    { "source": 0, "target": 1, "delta": [0, -1, 0], "tags": null },
+    { "source": 0, "target": 1, "delta": [-1, 0, 0], "tags": null },
+    { "source": 0, "target": 1, "delta": [-1, -1, 0], "tags": null },
+    { "source": 0, "target": 1, "delta": [0, 0, -1], "tags": null },
+    { "source": 0, "target": 1, "delta": [0, -1, -1], "tags": null },
+    { "source": 0, "target": 1, "delta": [-1, 0, -1], "tags": null },
+    { "source": 0, "target": 1, "delta": [-1, -1, -1], "tags": null }
   ]
 }

docs/input.json

@@ -1,11 +1,9 @@
 {
-    "size": [1, 1, 1],
-    "sites": [
-        {"kind": "Fe", "position": [0, 0, 0]}
-    ],
-    "vertices": [
-        {"source": 0, "target": 0, "delta": [1, 0, 0]},
-        {"source": 0, "target": 0, "delta": [0, 1, 0]},
-        {"source": 0, "target": 0, "delta": [0, 0, 1]}
-    ]
+  "size": [1, 1, 1],
+  "sites": [{ "kind": "Fe", "position": [0, 0, 0] }],
+  "vertices": [
+    { "source": 0, "target": 0, "delta": [1, 0, 0] },
+    { "source": 0, "target": 0, "delta": [0, 1, 0] },
+    { "source": 0, "target": 0, "delta": [0, 0, 1] }
+  ]
 }

src/alloy.rs

@@ -32,6 +32,11 @@ impl Alloy {
         }
     }
 
+    pub fn from_targets(targets: Vec<(&str, u32)>) -> Self {
+        let (kinds, ratios): (Vec<_>, Vec<_>) = targets.into_iter().unzip();
+        Self::new(kinds, ratios)
+    }
+
     /// Picks a kind of atom from the alloy
     pub fn pick<R: Rng + ?Sized>(&self, rng: &mut R) -> String {
         self.kinds[self.weights.sample(rng)].clone()