Add chemistry model.

Author: dnwpark

tests/dbsetup/chemistry.esdl

@@ -0,0 +1,70 @@
+INSERT Element {
+    name := 'Hydrogen',
+    symbol := 'H',
+    number := 1,
+    valence := 1,
+    weight := 1.0080,
+};
+INSERT Element {
+    name := 'Helium',
+    symbol := 'He',
+    number := 2,
+    valence := 0,
+    weight := 4.0026,
+};
+INSERT Element {
+    name := 'Lithium',
+    symbol := 'Li',
+    number := 3,
+    valence := 1,
+    weight := 6.94,
+};
+INSERT Element {
+    name := 'Beryllium',
+    symbol := 'Be',
+    number := 4,
+    valence := 2,
+    weight := 9.0122,
+};
+INSERT Element {
+    name := 'Boron',
+    symbol := 'B',
+    number := 5,
+    valence := 3,
+    weight := 10.81,
+};
+INSERT Element {
+    name := 'Carbon',
+    symbol := 'C',
+    number := 6,
+    valence := 4,
+    weight := 12.011,
+};
+INSERT Element {
+    name := 'Nitrogen',
+    symbol := 'N',
+    number := 7,
+    valence := 5,
+    weight := 14.007,
+};
+INSERT Element {
+    name := 'Oxygen',
+    symbol := 'O',
+    number := 8,
+    valence := 6,
+    weight := 15.999,
+};
+INSERT Element {
+    name := 'Fluorine',
+    symbol := 'F',
+    number := 9,
+    valence := 7,
+    weight := 18.998,
+};
+INSERT Element {
+    name := 'Neon',
+    symbol := 'Ne',
+    number := 10,
+    valence := 0,
+    weight := 20.180,
+};

tests/dbsetup/chemistry.gel

@@ -0,0 +1,63 @@
+module default {
+    type Named {
+        required name: std::str;
+    };
+
+    type Element extending Named {
+        required symbol: str;
+        required number: int64;
+        required valence: int64;
+        required weight: float64;
+    };
+
+    # We do this for now, since self multi links aren't well supported
+    type BaseAtom {
+        # Single link no props
+        required element: Element;
+
+        # Computed single prop
+        weight := sum(.element.weight);
+    };
+
+    type RefAtom extending BaseAtom {
+        # Multi link with props
+        multi bonds: BaseAtom {
+            count: int64;
+        }
+
+        # Computed single link
+        compound := .<atoms[is Compound];
+    };
+
+    type Compound extending Named {
+        # Multi link no props
+        multi atoms: RefAtom;
+
+        # Multi prop
+        multi alternate_names: str;
+    };
+
+    type Reactor {
+        # Computed multi link
+        multi atoms := .<reactor[is Atom];
+
+        # Computed single prop
+        total_weight := sum(.atoms.element.weight);
+        # Computed multi prop
+        atom_weights := .atoms.element.weight;
+    };
+
+    type Atom extending BaseAtom {
+        # Multi link with props
+        multi bonds: BaseAtom {
+            count: int64;
+        }
+
+        # Single link with props
+        required reactor: Reactor;
+
+        # Computed single prop using link props
+        total_bond_count := sum(.bonds@count);
+        total_bond_weight := sum(.bonds.weight);
+    };
+}