From 3803181895901b4475583fa25580a96e9ebc00ef Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Wed, 6 Jun 2018 09:32:06 +0200
Subject: [PATCH] Element and Bond loci
---
src/mol-model/structure/structure.ts | 5 ++--
src/mol-model/structure/structure/element.ts | 15 +++++++++--
.../structure/structure/unit/bonds.ts | 26 ++++++++++++++++++-
3 files changed, 41 insertions(+), 5 deletions(-)
diff --git a/src/mol-model/structure/structure.ts b/src/mol-model/structure/structure.ts
index c57bb2a47..44a299b2e 100644
--- a/src/mol-model/structure/structure.ts
+++ b/src/mol-model/structure/structure.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2017 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
@@ -8,5 +8,6 @@ import Element from './structure/element'
import Structure from './structure/structure'
import Unit from './structure/unit'
import StructureSymmetry from './structure/symmetry'
+import { Bond } from './structure/unit/bonds'
-export { Element, Structure, Unit, StructureSymmetry }
\ No newline at end of file
+export { Element, Bond, Structure, Unit, StructureSymmetry }
\ No newline at end of file
diff --git a/src/mol-model/structure/structure/element.ts b/src/mol-model/structure/structure/element.ts
index 48e030760..270fdcdf7 100644
--- a/src/mol-model/structure/structure/element.ts
+++ b/src/mol-model/structure/structure/element.ts
@@ -24,7 +24,7 @@ namespace Element {
/** All the information required to access element properties */
export interface Location { unit: Unit, element: number }
- export function Location(): Location { return { unit: {} as any, element: 0 }; }
+ export function Location(unit?: Unit, element?: number): Location { return { unit: unit as any, element: element || 0 }; }
export interface Property<T> { (location: Location): T }
export interface Predicate extends Property<boolean> { }
@@ -37,7 +37,18 @@ namespace Element {
export function property<T>(p: Property<T>) { return p; }
/** Represents multiple element locations */
- export type Loci = ReadonlyArray<{ unit: Unit, elements: SortedArray }>
+ export interface Loci {
+ readonly kind: 'element-loci',
+ readonly elements: ReadonlyArray<{ unit: Unit, elements: SortedArray }>
+ }
+
+ export function Loci(elements: ArrayLike<{ unit: Unit, elements: SortedArray }>): Loci {
+ return { kind: 'element-loci', elements: elements as Loci['elements'] };
+ }
+
+ export function isLoci(x: any): x is Loci {
+ return !!x && x.kind === 'element-loci';
+ }
}
export default Element
\ No newline at end of file
diff --git a/src/mol-model/structure/structure/unit/bonds.ts b/src/mol-model/structure/structure/unit/bonds.ts
index 6316c3eeb..73b6ff8d6 100644
--- a/src/mol-model/structure/structure/unit/bonds.ts
+++ b/src/mol-model/structure/structure/unit/bonds.ts
@@ -4,5 +4,29 @@
* @author David Sehnal <david.sehnal@gmail.com>
*/
+import { Element } from '../../structure'
+
export * from './bonds/intra-data'
-export * from './bonds/intra-compute'
\ No newline at end of file
+export * from './bonds/intra-compute'
+
+interface Bond {
+ readonly a: Readonly<Element.Location>,
+ readonly b: Readonly<Element.Location>
+}
+
+namespace Bond {
+ export interface Loci {
+ readonly kind: 'bond-loci',
+ readonly bonds: ReadonlyArray<Bond>
+ }
+
+ export function Loci(bonds: ArrayLike<Bond>): Loci {
+ return { kind: 'bond-loci', bonds: bonds as Loci['bonds'] };
+ }
+
+ export function isLoci(x: any): x is Loci {
+ return !!x && x.kind === 'bond-loci';
+ }
+}
+
+export { Bond }
\ No newline at end of file
--
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