From 38dc2d6e2669b9ecc40ca3b7e161ba37034a1c53 Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Mon, 12 Aug 2019 16:00:53 +0200
Subject: [PATCH] mol-script: macro support
---
src/mol-script/script/mol-script/macro.ts | 68 ++++++++--------
src/mol-script/script/mol-script/symbols.ts | 89 ++++++++++++---------
2 files changed, 86 insertions(+), 71 deletions(-)
diff --git a/src/mol-script/script/mol-script/macro.ts b/src/mol-script/script/mol-script/macro.ts
index 436e06bc6..e42b79b6f 100644
--- a/src/mol-script/script/mol-script/macro.ts
+++ b/src/mol-script/script/mol-script/macro.ts
@@ -1,39 +1,39 @@
-// /**
-// * Copyright (c) 2018 Mol* contributors, licensed under MIT, See LICENSE file for more info.
-// *
-// * @author David Sehnal <david.sehnal@gmail.com>
-// * @author Alexander Rose <alexander.rose@weirdbyte.de>
-// */
+/**
+ * Copyright (c) 2018-2019 Mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
-// import B from '../../language/builder'
+import { MolScriptBuilder as B } from '../../language/builder';
-// export function getPositionalArgs(args: any) {
-// return Object.keys(args)
-// .filter(k => !isNaN(k as any))
-// .map(k => +k)
-// .sort((a, b) => a - b)
-// .map(k => args[k]);
-// }
+export function getPositionalArgs(args: any) {
+ return Object.keys(args)
+ .filter(k => !isNaN(k as any))
+ .map(k => +k)
+ .sort((a, b) => a - b)
+ .map(k => args[k]);
+}
-// export function tryGetArg(args: any, name: string | number, defaultValue?: any) {
-// return (args && args[name] !== void 0) ? args[name] : defaultValue;
-// }
+export function tryGetArg(args: any, name: string | number, defaultValue?: any) {
+ return (args && args[name] !== void 0) ? args[name] : defaultValue;
+}
-// export function pickArgs(args: any, ...names: string[]) {
-// const ret = Object.create(null);
-// let count = 0;
-// for (let k of Object.keys(args)) {
-// if (names.indexOf(k) >= 0) {
-// ret[k] = args[k];
-// count++;
-// }
-// }
-// return count ? ret : void 0;
-// }
+export function pickArgs(args: any, ...names: string[]) {
+ const ret = Object.create(null);
+ let count = 0;
+ for (let k of Object.keys(args)) {
+ if (names.indexOf(k) >= 0) {
+ ret[k] = args[k];
+ count++;
+ }
+ }
+ return count ? ret : void 0;
+}
-// export function aggregate(property: any, fn: any, initial?: any){
-// return B.struct.atomSet.reduce({
-// initial: initial !== void 0 ? initial : property,
-// value: fn([ B.struct.slot.elementSetReduce(), property ])
-// });
-// }
\ No newline at end of file
+export function aggregate(property: any, fn: any, initial?: any) {
+ return B.struct.atomSet.reduce({
+ initial: initial !== void 0 ? initial : property,
+ value: fn([ B.struct.slot.elementSetReduce(), property ])
+ });
+}
\ No newline at end of file
diff --git a/src/mol-script/script/mol-script/symbols.ts b/src/mol-script/script/mol-script/symbols.ts
index 9e17f8844..42218fb8d 100644
--- a/src/mol-script/script/mol-script/symbols.ts
+++ b/src/mol-script/script/mol-script/symbols.ts
@@ -6,20 +6,23 @@
import { UniqueArray } from '../../../mol-data/generic';
import Expression from '../../language/expression';
-import { Argument, MSymbol } from '../../language/symbol';
+import { Argument, MSymbol, Arguments } from '../../language/symbol';
import { MolScriptSymbolTable as MolScript } from '../../language/symbol-table';
import Type from '../../language/type';
+import { Types as StructureQueryTypes } from '../../language/symbol-table/structure-query';
+import { MolScriptBuilder as B } from '../../language/builder';
+import { getPositionalArgs, tryGetArg } from './macro';
export type MolScriptSymbol =
| { kind: 'alias', aliases: string[], symbol: MSymbol }
| { kind: 'macro', aliases: string[], symbol: MSymbol, translate: (args: any) => Expression }
function Alias(symbol: MSymbol<any>, ...aliases: string[]): MolScriptSymbol { return { kind: 'alias', aliases, symbol }; }
-// function Macro(symbol: MSymbol<any>, translate: (args: any) => Expression, ...aliases: string[]): MolScriptSymbol {
-// symbol.info.namespace = 'molscript-macro';
-// symbol.id = `molscript-macro.${symbol.info.name}`;
-// return { kind: 'macro', symbol, translate, aliases: [symbol.info.name, ...aliases] };
-// }
+function Macro(symbol: MSymbol<any>, translate: (args: any) => Expression, ...aliases: string[]): MolScriptSymbol {
+ symbol.info.namespace = 'molscript-macro';
+ symbol.id = `molscript-macro.${symbol.info.name}`;
+ return { kind: 'macro', symbol, translate, aliases: [symbol.info.name, ...aliases] };
+}
export function isMolScriptSymbol(x: any): x is MolScriptSymbol {
return x.kind === 'alias' || x.kind === 'macro';
@@ -104,26 +107,26 @@ export const SymbolTable = [
Alias(MolScript.structureQuery.generator.empty, 'sel.atom.empty'),
Alias(MolScript.structureQuery.generator.all, 'sel.atom.all'),
- // Macro(MSymbol('sel.atom.atoms', Arguments.Dictionary({
- // 0: Argument(Type.Bool, { isOptional: true, defaultValue: true, description: 'Test applied to each atom.' })
- // }), Struct.Types.ElementSelection, 'A selection of singleton atom sets.'),
- // args => B.struct.generator.atomGroups({ 'atom-test': M.tryGetArg(args, 0, true) })),
-
- // Macro(MSymbol('sel.atom.res', Arguments.Dictionary({
- // 0: Argument(Type.Bool, { isOptional: true, defaultValue: true, description: 'Test applied to the 1st atom of each residue.' })
- // }), Struct.Types.ElementSelection, 'A selection of atom sets grouped by residue.'),
- // args => B.struct.generator.atomGroups({
- // 'residue-test': M.tryGetArg(args, 0, true),
- // 'group-by': B.ammp('residueKey')
- // })),
-
- // Macro(MSymbol('sel.atom.chains', Arguments.Dictionary({
- // 0: Argument(Type.Bool, { isOptional: true, defaultValue: true, description: 'Test applied to the 1st atom of each chain.' })
- // }), Struct.Types.ElementSelection, 'A selection of atom sets grouped by chain.'),
- // args => B.struct.generator.atomGroups({
- // 'chain-test': M.tryGetArg(args, 0, true),
- // 'group-by': B.ammp('chainKey')
- // })),
+ Macro(MSymbol('sel.atom.atoms', Arguments.Dictionary({
+ 0: Argument(Type.Bool, { isOptional: true, defaultValue: true, description: 'Test applied to each atom.' })
+ }), StructureQueryTypes.ElementSelection, 'A selection of singleton atom sets.'),
+ args => B.struct.generator.atomGroups({ 'atom-test': tryGetArg(args, 0, true) })),
+
+ Macro(MSymbol('sel.atom.res', Arguments.Dictionary({
+ 0: Argument(Type.Bool, { isOptional: true, defaultValue: true, description: 'Test applied to the 1st atom of each residue.' })
+ }), StructureQueryTypes.ElementSelection, 'A selection of atom sets grouped by residue.'),
+ args => B.struct.generator.atomGroups({
+ 'residue-test': tryGetArg(args, 0, true),
+ 'group-by': B.ammp('residueKey')
+ })),
+
+ Macro(MSymbol('sel.atom.chains', Arguments.Dictionary({
+ 0: Argument(Type.Bool, { isOptional: true, defaultValue: true, description: 'Test applied to the 1st atom of each chain.' })
+ }), StructureQueryTypes.ElementSelection, 'A selection of atom sets grouped by chain.'),
+ args => B.struct.generator.atomGroups({
+ 'chain-test': tryGetArg(args, 0, true),
+ 'group-by': B.ammp('chainKey')
+ })),
],
[
'Modifiers',
@@ -244,9 +247,9 @@ export const SymbolTable = [
[
'Link Properties',
Alias(MolScript.structureQuery.linkProperty.order, 'link.order'),
- // Macro(MSymbol('bond.is', Arguments.List(Struct.Types.LinkFlag), Type.Bool,
- // `Test if the current bond has at least one (or all if partial = false) of the specified flags: ${Type.oneOfValues(Struct.Types.LinkFlag).join(', ')}`),
- // args => B.core.flags.hasAny([B.struct.bondProperty.flags(), B.struct.type.linkFlags(M.getPositionalArgs(args))])),
+ Macro(MSymbol('link.is', Arguments.List(StructureQueryTypes.LinkFlag), Type.Bool,
+ `Test if the current link has at least one (or all if partial = false) of the specified flags: ${Type.oneOfValues(StructureQueryTypes.LinkFlag).join(', ')}`),
+ args => B.core.flags.hasAny([B.struct.linkProperty.flags(), B.struct.type.linkFlags(getPositionalArgs(args))])),
]
]
];
@@ -305,19 +308,25 @@ function substSymbols(expr: Expression): Expression {
}
if (Expression.isSymbol(expr)) {
if (!SymbolMap[expr.name]) return expr;
- return Expression.Symbol(SymbolMap[expr.name]!.symbol.id);
+ const s = SymbolMap[expr.name]!;
+ if (s.kind === 'alias') return Expression.Symbol(SymbolMap[expr.name]!.symbol.id);
+ throw s.translate([]);
}
- const head = substSymbols(expr.head);
+ const isMacro = Expression.isSymbol(expr.head) && !!SymbolMap[expr.head.name] && SymbolMap[expr.head.name]!.kind === 'macro';
+
+ const head = isMacro ? expr.head : substSymbols(expr.head);
const headChanged = head !== expr.head;
if (!expr.args) {
+ if (isMacro) return substSymbols(expr.head); // TODO: is this correct?
return headChanged ? Expression.Apply(head) : expr;
}
let argsChanged = false;
+ let newArgs: any;
if (Expression.isArgumentsArray(expr.args)) {
- let newArgs: Expression[] = [];
+ newArgs = [];
for (let i = 0, _i = expr.args.length; i < _i; i++) {
const oldArg = expr.args[i];
const newArg = substSymbols(oldArg);
@@ -325,21 +334,27 @@ function substSymbols(expr: Expression): Expression {
newArgs[newArgs.length] = newArg;
}
if (!argsChanged) newArgs = expr.args;
- if (!headChanged && !argsChanged) return expr;
- return Expression.Apply(head, newArgs);
+ if (!isMacro && !headChanged && !argsChanged) return expr;
} else {
- let newArgs: any = {}
+ newArgs = {};
for (const key of Object.keys(expr.args)) {
const oldArg = expr.args[key];
const newArg = substSymbols(oldArg);
if (oldArg !== newArg) argsChanged = true;
newArgs[key] = newArg;
}
- if (!headChanged && !argsChanged) return expr;
+ if (!isMacro && !headChanged && !argsChanged) return expr;
if (!argsChanged) newArgs = expr.args;
+ }
- return Expression.Apply(head, newArgs);
+ if (isMacro) {
+ const macro = SymbolMap[(expr.head as Expression.Symbol).name]!;
+ if (macro.kind !== 'macro') return Expression.Apply(head, newArgs);
+ const ret = macro.translate(newArgs);
+ return ret;
}
+
+ return Expression.Apply(head, newArgs);
}
export function transpileMolScript(expr: Expression) {
--
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