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Commit d81f37c7 authored by Alexander Rose's avatar Alexander Rose
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added AtomicUnit.residueCount

parent c2979ce5
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......@@ -14,7 +14,7 @@ import { ValueRef } from '../../../mol-util';
import { UnitRings } from './unit/rings';
import StructureElement from './element'
import { ChainIndex, ResidueIndex, ElementIndex } from '../model/indexing';
import { IntMap, SortedArray } from '../../../mol-data/int';
import { IntMap, SortedArray, Segmentation } from '../../../mol-data/int';
import { hash2, hashFnv32a } from '../../../mol-data/util';
import { getAtomicPolymerElements, getCoarsePolymerElements, getAtomicGapElements, getCoarseGapElements, getNucleotideElements, getProteinElements } from './util/polymer';
import { mmCIF_Schema } from '../../../mol-io/reader/cif/schema/mmcif';
......@@ -202,6 +202,20 @@ namespace Unit {
return this.props.proteinElements.ref;
}
get residueCount(): number {
if (this.props.residueCount.ref !== undefined) return this.props.residueCount.ref;
let residueCount = 0
const residueIt = Segmentation.transientSegments(this.model.atomicHierarchy.residueAtomSegments, this.elements)
while (residueIt.hasNext) {
residueIt.move()
residueCount += 1
}
this.props.residueCount.ref = residueCount;
return this.props.residueCount.ref!;
}
getResidueIndex(elementIndex: StructureElement.UnitIndex) {
return this.model.atomicHierarchy.residueAtomSegments.index[this.elements[elementIndex]];
}
......@@ -227,6 +241,7 @@ namespace Unit {
gapElements: ValueRef<SortedArray<ElementIndex> | undefined>
nucleotideElements: ValueRef<SortedArray<ElementIndex> | undefined>
proteinElements: ValueRef<SortedArray<ElementIndex> | undefined>
residueCount: ValueRef<number | undefined>
}
function AtomicProperties(): AtomicProperties {
......@@ -238,6 +253,7 @@ namespace Unit {
gapElements: ValueRef.create(void 0),
nucleotideElements: ValueRef.create(void 0),
proteinElements: ValueRef.create(void 0),
residueCount: ValueRef.create(void 0),
};
}
......
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