From a967953b640c8d5610631f9f9cbb0557d9dbeea4 Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Thu, 1 Nov 2018 11:14:22 +0100
Subject: [PATCH] mol-model: AtomicIndex tweak
---
.../model/properties/utils/atomic-index.ts | 17 ++++++++---------
1 file changed, 8 insertions(+), 9 deletions(-)
diff --git a/src/mol-model/structure/model/properties/utils/atomic-index.ts b/src/mol-model/structure/model/properties/utils/atomic-index.ts
index 75af86ad0..9460ed194 100644
--- a/src/mol-model/structure/model/properties/utils/atomic-index.ts
+++ b/src/mol-model/structure/model/properties/utils/atomic-index.ts
@@ -72,6 +72,7 @@ function createMapping(entities: Entities, data: AtomicData, segments: AtomicSeg
const _tempResidueKey = AtomicIndex.EmptyResidueKey();
class Index implements AtomicIndex {
private entityIndex: Entities['getEntityIndex'];
+ private residueOffsets: ArrayLike<ElementIndex>;
getEntityFromChain(cI: ChainIndex): EntityIndex {
return this.map.chain_index_entity_index[cI];
@@ -135,33 +136,31 @@ class Index implements AtomicIndex {
findAtom(key: AtomicIndex.AtomKey): ElementIndex {
const rI = this.findResidue(key);
if (rI < 0) return -1 as ElementIndex;
- const offsets = this.map.segments.residueAtomSegments.offsets;
if (typeof key.label_alt_id === 'undefined') {
- return findAtomByName(offsets[rI], offsets[rI + 1], this.map.label_atom_id, key.label_atom_id);
+ return findAtomByName(this.residueOffsets[rI], this.residueOffsets[rI + 1], this.map.label_atom_id, key.label_atom_id);
}
- return findAtomByNameAndAltLoc(offsets[rI], offsets[rI + 1], this.map.label_atom_id, this.map.label_alt_id, key.label_atom_id, key.label_alt_id);
+ return findAtomByNameAndAltLoc(this.residueOffsets[rI], this.residueOffsets[rI + 1], this.map.label_atom_id, this.map.label_alt_id, key.label_atom_id, key.label_alt_id);
}
findAtomAuth(key: AtomicIndex.AtomAuthKey): ElementIndex {
const rI = this.findResidueAuth(key);
if (rI < 0) return -1 as ElementIndex;
- const offsets = this.map.segments.residueAtomSegments.offsets;
if (typeof key.label_alt_id === 'undefined') {
- return findAtomByName(offsets[rI], offsets[rI + 1], this.map.auth_atom_id, key.auth_atom_id);
+ return findAtomByName(this.residueOffsets[rI], this.residueOffsets[rI + 1], this.map.auth_atom_id, key.auth_atom_id);
}
- return findAtomByNameAndAltLoc(offsets[rI], offsets[rI + 1], this.map.auth_atom_id, this.map.label_alt_id, key.auth_atom_id, key.label_alt_id);
+ return findAtomByNameAndAltLoc(this.residueOffsets[rI], this.residueOffsets[rI + 1], this.map.auth_atom_id, this.map.label_alt_id, key.auth_atom_id, key.label_alt_id);
}
findAtomOnResidue(rI: ResidueIndex, label_atom_id: string, label_alt_id?: string) {
- const offsets = this.map.segments.residueAtomSegments.offsets;
if (typeof label_alt_id === 'undefined') {
- return findAtomByName(offsets[rI], offsets[rI + 1], this.map.label_atom_id, label_atom_id);
+ return findAtomByName(this.residueOffsets[rI], this.residueOffsets[rI + 1], this.map.label_atom_id, label_atom_id);
}
- return findAtomByNameAndAltLoc(offsets[rI], offsets[rI + 1], this.map.label_atom_id, this.map.label_alt_id, label_atom_id, label_alt_id);
+ return findAtomByNameAndAltLoc(this.residueOffsets[rI], this.residueOffsets[rI + 1], this.map.label_atom_id, this.map.label_alt_id, label_atom_id, label_alt_id);
}
constructor(private map: Mapping) {
this.entityIndex = map.entities.getEntityIndex;
+ this.residueOffsets = this.map.segments.residueAtomSegments.offsets;
}
}
--
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