diff --git a/src/apps/state-docs/pd-to-md.ts b/src/apps/state-docs/pd-to-md.ts
index e1a6ceac44e82037a389d8d331c2676ae347ab15..dc67d414049378fa8acb28c1148df3864ad12774 100644
--- a/src/apps/state-docs/pd-to-md.ts
+++ b/src/apps/state-docs/pd-to-md.ts
@@ -30,7 +30,7 @@ function paramInfo(param: PD.Any, offset: number): string {
case 'line-graph': return `A list of 2d vectors [xi, yi][]`;
case 'object-list': return `Array of\n${paramInfo(PD.Group(param.element), offset + 2)}`;
// TODO: support more languages
- case 'script-expression': return `An expression in the specified language { language: 'mol-script', expressiong: string }`;
+ case 'script': return `An expression in the specified language { language: 'mol-script', expressiong: string }`;
default:
const _: never = param;
console.warn(`${_} has no associated UI component`);
diff --git a/src/mol-model/structure/structure/element/loci.ts b/src/mol-model/structure/structure/element/loci.ts
index df9e6ac52703bb34b5b6049a5cfe51e513d8abf3..3acf34f68296cbd645377d09a64f488d095b4e4c 100644
--- a/src/mol-model/structure/structure/element/loci.ts
+++ b/src/mol-model/structure/structure/element/loci.ts
@@ -289,7 +289,7 @@ export namespace Loci {
: element
}
- export function toScriptExpression(loci: Loci) {
+ export function toExpression(loci: Loci) {
if (Loci.isEmpty(loci)) return MS.struct.generator.empty();
const models = loci.structure.models;
diff --git a/src/mol-plugin/behavior/dynamic/selection/structure-representation-interaction.ts b/src/mol-plugin/behavior/dynamic/selection/structure-representation-interaction.ts
index 698fd310610ef1e148927ead004a7e46534ae26b..eb315686ac60abbd1a9e665851524618b146ad64 100644
--- a/src/mol-plugin/behavior/dynamic/selection/structure-representation-interaction.ts
+++ b/src/mol-plugin/behavior/dynamic/selection/structure-representation-interaction.ts
@@ -146,7 +146,7 @@ export class StructureRepresentationInteractionBehavior extends PluginBehavior.W
lastLoci = current;
const core = MS.struct.modifier.wholeResidues([
- StructureElement.Loci.toScriptExpression(current.loci)
+ StructureElement.Loci.toExpression(current.loci)
]);
const surroundings = MS.struct.modifier.includeSurroundings({
diff --git a/src/mol-plugin/state/actions/structure.ts b/src/mol-plugin/state/actions/structure.ts
index 0735d4f7d69c0a38602f6b85b8b34029709cc23a..7e2535c392c7b52d24e94a6ee37eaeca7b6954ad 100644
--- a/src/mol-plugin/state/actions/structure.ts
+++ b/src/mol-plugin/state/actions/structure.ts
@@ -355,7 +355,7 @@ export const StructureFromSelection = StateAction.build({
const sel = plugin.helpers.structureSelectionManager.get(a.data);
if (sel.kind === 'empty-loci') return Task.constant('', void 0);
- const expression = StructureElement.Loci.toScriptExpression(sel);
+ const expression = StructureElement.Loci.toExpression(sel);
const root = state.build().to(ref).apply(StructureSelectionFromExpression, { expression, label: params.label });
return state.updateTree(root);
});
\ No newline at end of file
diff --git a/src/mol-plugin/state/transforms/model.ts b/src/mol-plugin/state/transforms/model.ts
index 75a9802fe827b5b1b915d247fd4e81c74e1d0352..6df5fc2fe65abb369cf4b2277eb9cb3fe1c100ba 100644
--- a/src/mol-plugin/state/transforms/model.ts
+++ b/src/mol-plugin/state/transforms/model.ts
@@ -22,11 +22,10 @@ import { stringToWords } from '../../../mol-util/string';
import { PluginStateObject as SO, PluginStateTransform } from '../objects';
import { trajectoryFromGRO } from '../../../mol-model-formats/structure/gro';
import { parseGRO } from '../../../mol-io/reader/gro/parser';
-import { parseMolScript } from '../../../mol-script/language/parser';
-import { transpileMolScript } from '../../../mol-script/script/mol-script/symbols';
import { shapeFromPly } from '../../../mol-model-formats/shape/ply';
import { SymmetryOperator } from '../../../mol-math/geometry';
import { ensureSecondaryStructure } from './helpers';
+import { Script } from '../../../mol-script/script';
export { TrajectoryFromBlob };
export { TrajectoryFromMmCif };
@@ -390,25 +389,22 @@ const StructureSelectionFromScript = PluginStateTransform.BuiltIn({
from: SO.Molecule.Structure,
to: SO.Molecule.Structure,
params: {
- script: PD.ScriptExpression({ language: 'mol-script', expression: '(sel.atom.atom-groups :residue-test (= atom.resname ALA))' }),
+ script: PD.Script({ language: 'mol-script', expression: '(sel.atom.atom-groups :residue-test (= atom.resname ALA))' }),
label: PD.Optional(PD.Text(''))
}
})({
apply({ a, params, cache }) {
- const parsed = parseMolScript(params.script.expression);
- if (parsed.length === 0) throw new Error('No query');
- const query = transpileMolScript(parsed[0]);
- const compiled = compile<Sel>(query);
- (cache as { compiled: QueryFn<Sel> }).compiled = compiled;
+ const query = Script.toQuery(params.script);
+ (cache as { query: QueryFn<Sel> }).query = query;
(cache as { source: Structure }).source = a.data;
- const result = compiled(new QueryContext(a.data));
+ const result = query(new QueryContext(a.data));
const s = Sel.unionStructure(result);
const props = { label: `${params.label || 'Selection'}`, description: structureDesc(s) };
return new SO.Molecule.Structure(s, props);
},
update: ({ a, b, oldParams, newParams, cache }) => {
- if (oldParams.script.language !== newParams.script.language || oldParams.script.expression !== newParams.script.expression) {
+ if (Script.areEqual(oldParams.script, newParams.script)) {
return StateTransformer.UpdateResult.Recreate;
}
@@ -417,7 +413,7 @@ const StructureSelectionFromScript = PluginStateTransform.BuiltIn({
}
(cache as { source: Structure }).source = a.data;
- updateStructureFromQuery((cache as { compiled: QueryFn<Sel> }).compiled, a.data, b, newParams.label);
+ updateStructureFromQuery((cache as { query: QueryFn<Sel> }).query, a.data, b, newParams.label);
return StateTransformer.UpdateResult.Updated;
}
});
diff --git a/src/mol-plugin/ui/controls/parameters.tsx b/src/mol-plugin/ui/controls/parameters.tsx
index 46451b599b9ebc56a083a4e384c33263ca068aec..fb373164cee802fa78321cbea798dd1ea168b029 100644
--- a/src/mol-plugin/ui/controls/parameters.tsx
+++ b/src/mol-plugin/ui/controls/parameters.tsx
@@ -64,7 +64,7 @@ function controlFor(param: PD.Any): ParamControl | undefined {
case 'group': return GroupControl;
case 'mapped': return MappedControl;
case 'line-graph': return LineGraphControl;
- case 'script-expression': return ScriptExpressionControl;
+ case 'script': return ScriptControl;
case 'object-list': return ObjectListControl;
default:
const _: never = param;
@@ -746,7 +746,7 @@ export class ConvertedControl extends React.PureComponent<ParamProps<PD.Converte
}
}
-export class ScriptExpressionControl extends SimpleParam<PD.ScriptExpression> {
+export class ScriptControl extends SimpleParam<PD.Script> {
onChange = (e: React.ChangeEvent<HTMLInputElement>) => {
const value = e.target.value;
if (value !== this.props.value.expression) {
diff --git a/src/mol-script/script.ts b/src/mol-script/script.ts
new file mode 100644
index 0000000000000000000000000000000000000000..c34672bd16bd32c55dd4abec1648d740d5edc140
--- /dev/null
+++ b/src/mol-script/script.ts
@@ -0,0 +1,48 @@
+/**
+ * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import { transpileMolScript } from './script/mol-script/symbols';
+import { parseMolScript } from './language/parser';
+import Expression from './language/expression';
+import { StructureElement, QueryContext, StructureSelection, Structure, QueryFn } from '../mol-model/structure';
+import { compile } from './runtime/query/compiler';
+
+export { Script }
+
+interface Script { expression: string, language: Script.Language }
+
+function Script(expression: string, language: Script.Language): Script {
+ return { expression, language }
+}
+
+namespace Script {
+ export type Language = 'mol-script'
+
+ export function areEqual(a: Script, b: Script) {
+ return a.language === b.language && a.expression === b.expression
+ }
+
+ export function toExpression(script: Script): Expression {
+ switch (script.language) {
+ case 'mol-script':
+ const parsed = parseMolScript(script.expression)
+ if (parsed.length === 0) throw new Error('No query')
+ return transpileMolScript(parsed[0])
+ }
+ throw new Error('unsupported script language')
+ }
+
+ export function toQuery(script: Script): QueryFn<StructureSelection> {
+ const expression = toExpression(script)
+ return compile<StructureSelection>(expression);
+ }
+
+ export function toLoci(script: Script, structure: Structure): StructureElement.Loci {
+ const query = toQuery(script)
+ const result = query(new QueryContext(structure))
+ return StructureSelection.toLoci2(result)
+ }
+}
\ No newline at end of file
diff --git a/src/mol-util/param-definition.ts b/src/mol-util/param-definition.ts
index 75c92e462b29a056d0329f584194b6c12be2b654..51792e49b8e3dac2721e22fdbdcaec6ffe1f9ac0 100644
--- a/src/mol-util/param-definition.ts
+++ b/src/mol-util/param-definition.ts
@@ -9,6 +9,7 @@ import { Color as ColorData } from './color';
import { shallowEqual } from './index';
import { Vec2 as Vec2Data, Vec3 as Vec3Data } from '../mol-math/linear-algebra';
import { deepClone } from './object';
+import { Script as ScriptData } from '../mol-script/script';
export namespace ParamDefinition {
export interface Info {
@@ -233,16 +234,16 @@ export namespace ParamDefinition {
return { type: 'conditioned', select: Select<string>(conditionForValue(defaultValue) as string, options), defaultValue, conditionParams, conditionForValue, conditionedValue };
}
- export interface ScriptExpression extends Base<{ language: 'mol-script', expression: string }> {
- type: 'script-expression'
+ export interface Script extends Base<ScriptData> {
+ type: 'script'
}
- export function ScriptExpression(defaultValue: ScriptExpression['defaultValue'], info?: Info): ScriptExpression {
- return setInfo<ScriptExpression>({ type: 'script-expression', defaultValue }, info)
+ export function Script(defaultValue: Script['defaultValue'], info?: Info): Script {
+ return setInfo<Script>({ type: 'script', defaultValue }, info)
}
export type Any =
| Value<any> | Select<any> | MultiSelect<any> | BooleanParam | Text | Color | Vec3 | Numeric | FileParam | Interval | LineGraph
- | ColorList<any> | Group<any> | Mapped<any> | Converted<any, any> | Conditioned<any, any, any> | ScriptExpression | ObjectList
+ | ColorList<any> | Group<any> | Mapped<any> | Converted<any, any> | Conditioned<any, any, any> | Script | ObjectList
export type Params = { [k: string]: Any }
export type Values<T extends Params> = { [k in keyof T]: T[k]['defaultValue'] }
@@ -328,8 +329,8 @@ export namespace ParamDefinition {
return true;
} else if (p.type === 'vec3') {
return Vec3Data.equals(a, b);
- } else if (p.type === 'script-expression') {
- const u = a as ScriptExpression['defaultValue'], v = b as ScriptExpression['defaultValue'];
+ } else if (p.type === 'script') {
+ const u = a as Script['defaultValue'], v = b as Script['defaultValue'];
return u.language === v.language && u.expression === v.expression;
} else if (p.type === 'object-list') {
const u = a as ObjectList['defaultValue'], v = b as ObjectList['defaultValue'];