Add the metadata at initialization

Author: Leticia-maria

basissets.ipynb

@@ -17,12 +17,66 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "met = JSON3.read(\"src/data/METADATA.json\")\n",
-    "imp = met[\"sto-3g\"][\"versions\"][\"1\"][\"file_relpath\"]\n",
-    "imp2=JSON3.read(\"src/data/\"*imp)\n",
-    "imp2[\"elements\"][\"1\"]\n",
-    "imp3=JSON3.read(\"src/data/\"*imp2[\"elements\"][\"1\"])\n",
-    "imp4=imp3[\"elements\"][\"1\"][\"components\"]\n",
+    "met = JSON3.read(\"src/data/METADATA.json\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6908e8c2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "imp = met[\"sto-3g\"][\"versions\"][\"1\"][\"file_relpath\"]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "f696126d",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "imp2=JSON3.read(\"src/data/\"*imp)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "f5c0c802",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "imp2[\"elements\"][\"1\"]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "e9f0107b",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "imp3=JSON3.read(\"src/data/\"*imp2[\"elements\"][\"1\"])"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8781e3db",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "imp4=imp3[\"elements\"][\"1\"][\"components\"]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "0693393e",
+   "metadata": {},
+   "outputs": [],
+   "source": [
     "imp5=JSON3.read(\"src/data/\"*imp4[1])"
    ]
   }

src/BasisSets.jl

@@ -1,20 +1,30 @@
 module BasisSets
-    using HTTP
-    using JSON3
-    using LinearAlgebra
-    using StaticArrays
+    using 
+        HTTP, 
+        JSON3, 
+        LinearAlgebra, 
+        StaticArrays
 
     include("periodictable.jl")
     include("molecule.jl")
     include("parser.jl")
     include("getdata.jl")
 
-    export Atom
-    export getatom
-    export Molecule
-    export molecule
-    export getatoms
-    export doublefactorial
-    export normalization
-    export parsebasis
+    export 
+        Atom, 
+        getatom,
+        Molecule,
+        molecule,
+        getatoms,
+        doublefactorial,
+        normalization,
+        parsebasis
+
+    const _METADATA = let 
+        path = joinpath(@__DIR__, "data", "METADATA.json")  # __DIR__ == src/
+        JSON3.read(path)
+    end
+
+    metadata() = _METADATA
+
 end