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 75af86ad0738579a7c6c2fa2c7e1079813a7d738..9460ed19474e0daf1308069ab345a115bd4042de 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; } }