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src/viewer/index.ts

Lines changed: 42 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -610,7 +610,30 @@ export class Viewer {
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this.plugin.managers.camera.focusLoci(loci);
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}
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613-
selectResidueSurroundings(target: Target, radius: number) {
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/**
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* Selects all surrounding polymeric residues within a specified radius of a given target.
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*
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* The function:
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* 1. Resolves the default structure from the plugin context.
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* 2. Creates a residue-level selection expression for the given target.
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* 3. Expands the selection to include all residues within the provided
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* radius (in Å), treating each residue as a whole.
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* 4. Restricts the expanded selection to residues from polymeric chains only.
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* 5. Executes the compiled query and adds the resulting loci to the
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* structure selection manager.
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*
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* If no default structure is available, the function returns without
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* modifying the current selection.
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*
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* @param {Target} target
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* The target residue used as the center of the surroundings selection.
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*
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* @param {number} radius
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* The radius (in Å) within which surrounding residues are selected.
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*
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* @returns {void}
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*/
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selectResidueSurroundings(target: Target, radius: number): void {
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const structure = getDefaultStructure(this.plugin);
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if (!structure) return;
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@@ -633,7 +656,24 @@ export class Viewer {
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this.plugin.managers.structure.selection.fromLoci('add', surroundingsLoci);
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}
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636-
orderTargetsByDistanceToPivot(pivot: Target, targets: Target[]) {
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/**
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* Orders a list of targets by their spatial distance to a pivot target.
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*
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* The distance between the pivot and each target is computed using the
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* currently loaded default structure. Targets are then sorted in ascending
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* order of distance (closest first).
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*
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* @param {Target} pivot
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* The reference target from which distances are calculated.
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*
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* @param {Target[]} targets
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* The list of targets to be ordered by distance to the pivot.
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*
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* @returns {Target[] | undefined}
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* An array of targets sorted by increasing distance to the pivot, or
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* {@code undefined} if no default structure is available.
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*/
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orderTargetsByDistanceToPivot(pivot: Target, targets: Target[]): Target[] | undefined {
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const structure = getDefaultStructure(this.plugin);
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if (!structure) return;
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return getTargetsDistanceToPivot(pivot, targets, structure)

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