wip mol-script, execute parsed/transpiled query

src/mol-script/language/expression-formatter.ts

@@ -8,12 +8,6 @@ import Expression from './expression'
 
 const { isLiteral, isSymbol, isArgumentsArray } = Expression;
 
-export default function format(e: Expression) {
-    const writer = new Writer();
-    _format(e, writer);
-    return writer.getStr();
-}
-
 class Writer {
     private value: string[] = [];
     private currentLineLength = 0;
@@ -128,4 +122,10 @@ function _format(e: Expression, writer: Writer) {
         _format(e.args[a], writer);
     }
     writer.pop();
-}
+}
\ No newline at end of file
+
+export function formatMolScript(e: Expression) {
+    const writer = new Writer();
+    _format(e, writer);
+    return writer.getStr();
+}

src/mol-script/language/expression.ts

@@ -20,7 +20,7 @@ namespace Expression {
 
     export function isArgumentsArray(e?: Arguments): e is Expression[] { return !!e && Array.isArray(e); }
     export function isArgumentsMap(e?: Arguments): e is { [name: string]: Expression } { return !!e && !Array.isArray(e); }
-    export function isLiteral(e: Expression): e is Expression.Literal { return !isApply(e); }
+    export function isLiteral(e: Expression): e is Expression.Literal { return !isApply(e) && !isSymbol(e); }
     export function isApply(e: Expression): e is Expression.Apply { return !!e && !!(e as Expression.Apply).head && typeof e === 'object'; }
     export function isSymbol(e: Expression): e is Expression.Symbol { return !!e && typeof (e as any).name === 'string' }
 }

src/mol-script/runtime/query/compiler.ts

@@ -134,8 +134,10 @@ function _compile(ctx: QueryCompilerCtx, expression: Expression): CompiledQueryF
     }
 
     if (Expression.isSymbol(expression)) {
-        // TODO: check for "nullary symbols" and automatically apply them?
-        return CompiledQueryFn.Const(expression.name);
+        const runtime = ctx.table.getRuntime(expression.name);
+        if (!runtime) return CompiledQueryFn.Const(expression.name);
+
+        return runtime.compile(ctx);
     }
 
     if (!Expression.isSymbol(expression.head)) {
@@ -143,7 +145,6 @@ function _compile(ctx: QueryCompilerCtx, expression: Expression): CompiledQueryF
     }
 
     const compiler = ctx.table.getRuntime(expression.head.name);
-
     if (!compiler) {
         throw new Error(`Symbol '${expression.head.name}' is not implemented.`);
     }

src/perf-tests/mol-script.ts

@@ -6,6 +6,8 @@ import { CustomPropSymbol } from 'mol-script/language/symbol';
 import Type from 'mol-script/language/type';
 import { parseMolScript } from 'mol-script/language/parser';
 import * as util from 'util'
+import { transpileMolScript } from 'mol-script/script/mol-script/symbols';
+import { formatMolScript } from 'mol-script/language/expression-formatter';
 
 // import Examples from 'mol-script/script/mol-script/examples'
 // import { parseMolScript } from 'mol-script/script/mol-script/parser'
@@ -15,14 +17,25 @@ import * as util from 'util'
 //     const expr = parseMolScript(e.value)[0];
 //     console.log(e.name, util.inspect(expr, true, 10, true));
 // }
+// const exprs = parseMolScript(`(sel.atom.atom-groups
+//     :residue-test (= atom.auth_comp_id ALA)
+//     ;; ho ho ho
+//     :atom-test (set.has { _C _N } atom.el)) ; comm
+//     ;; this is a comment
+//     ((hi) (ho))`);
+
 const exprs = parseMolScript(`(sel.atom.atom-groups
-    :residue-test (= atom.auth_comp_id ALA)
-    ;; ho ho ho
-    :atom-test (set.has { _C _N } atom.el)) ; comm
-    ;; this is a comment
-    ((hi) (ho))`);
+    :residue-test (= atom.label_comp_id REA)
+    :atom-test (= atom.el _C))`);
+
+const tsp = transpileMolScript(exprs[0]);
+
+//console.log(util.inspect(exprs, true, 10, true));
 
-console.log(util.inspect(exprs, true, 10, true));
+console.log(util.inspect(tsp, true, 10, true));
+
+console.log(formatMolScript);
+console.log(formatMolScript(tsp));
 // //console.log(expr);
 
 const expr = MolScriptBuilder.core.math.add([1, 2, 3]);
@@ -49,7 +62,7 @@ export async function testQ() {
     const frame = await readCifFile('e:/test/quick/1cbs_updated.cif');
     const { structure } = await getModelsAndStructure(frame);
 
-    const expr = MolScriptBuilder.struct.generator.atomGroups({
+    let expr = MolScriptBuilder.struct.generator.atomGroups({
         'atom-test': MolScriptBuilder.core.rel.eq([
             MolScriptBuilder.struct.atomProperty.core.elementSymbol(),
             MolScriptBuilder.es('C')
@@ -61,10 +74,12 @@ export async function testQ() {
         'residue-test': MolScriptBuilder.core.rel.inRange([CustomProp.symbols.residueIndex.symbol(), 1, 5])
     });
 
+    expr = tsp;
+
     const compiled = compile<StructureQuery>(expr);
     const result = compiled(new QueryContext(structure));
 
     console.log(result);
 }
 
-// testQ();
+testQ();
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