import type { DataXY, DoubleArray, FromTo, NumberArray } from 'cheminfo-types'; import { xFindClosestIndex } from '../x/index.ts'; import { zonesNormalize } from '../zones/index.ts'; import { xyCheck } from './xyCheck.ts'; interface InternalZone { from: number; to: number; fromIndex: number; toIndex: number; nbPoints: number; } export interface XYReduceOptions { /** * @default x[0] */ from?: number; /** * @default x[x.length-1] */ to?: number; /** * Number of points * @default 4001 */ nbPoints?: number; /** * If optimize we may have less than nbPoints at the end. It should not have visible effects * @default false */ optimize?: boolean; /** * Array of zones to keep (from/to object) * @default [] */ zones?: FromTo[]; } /** * Reduce the number of points while keeping visually the same noise. Practical to * display many spectra as SVG. If you want a similar looking spectrum you should still however * generate at least 4x the nbPoints that is being displayed. * * SHOULD NOT BE USED FOR DATA PROCESSING !!! * You should rather use ml-xy-equally-spaced to make further processing * @param data - Object that contains property x (an ordered increasing array) and y (an array) * @param options - options * @returns Object with x and y arrays */ export function xyReduce( data: DataXY, options: XYReduceOptions = {}, ): DataXY { xyCheck(data); // todo we should check that the single point is really in the range and the zones if (data.x.length < 2) { return { x: Float64Array.from(data.x), y: Float64Array.from(data.y), }; } const { x, y } = data; const { from = x[0], to = x.at(-1) as number, nbPoints = 4001, optimize = false, } = options; let { zones = [] } = options; zones = zonesNormalize(zones, { from, to }); if (zones.length === 0) zones = [{ from, to }]; // we take everything const { internalZones, totalPoints } = getInternalZones(zones, x); // we calculate the number of points per zone that we should keep if (totalPoints <= nbPoints) { return notEnoughPoints(x, y, internalZones, totalPoints); } // need to xyReduce number of points const ratio = nbPoints / totalPoints; let currentTotal = 0; for (let i = 0; i < internalZones.length - 1; i++) { const zone = internalZones[i]; zone.nbPoints = Math.round(zone.nbPoints * ratio); currentTotal += zone.nbPoints; } (internalZones.at(-1) as InternalZone).nbPoints = nbPoints - currentTotal; const newX: number[] = []; const newY: number[] = []; for (const zone of internalZones) { if (!zone.nbPoints) continue; appendFromTo(zone.fromIndex, zone.toIndex, zone.nbPoints); } return { x: newX, y: newY }; /** * AppendFromTo. * @param fromIndex - From. * @param toIndex - To. * @param zoneNbPoints - NbPoints. */ function appendFromTo( fromIndex: number, toIndex: number, zoneNbPoints: number, ) { if (zoneNbPoints === 1) { newX.push(x[Math.round((toIndex - fromIndex) / 2)]); newY.push(y[Math.round((toIndex - fromIndex) / 2)]); return; } if (zoneNbPoints === 2) { newX.push(x[fromIndex], x[toIndex]); newY.push(y[fromIndex], y[toIndex]); return; } newX.push(x[fromIndex]); newY.push(y[fromIndex]); if (zoneNbPoints % 2 === 0) { zoneNbPoints = zoneNbPoints / 2 + 1; } else { zoneNbPoints = (zoneNbPoints - 1) / 2 + 1; } // we will need to make some kind of min / max because there are too many points // we will always keep the first point and the last point const slot = (x[toIndex] - x[fromIndex]) / (zoneNbPoints - 1); let currentX = x[fromIndex] + slot; let first = true; let minY = Number.POSITIVE_INFINITY; let xyMaxY = Number.NEGATIVE_INFINITY; for (let i = fromIndex + 1; i <= toIndex; i++) { if (first) { minY = y[i]; xyMaxY = y[i]; first = false; } else { if (y[i] < minY) minY = y[i]; if (y[i] > xyMaxY) xyMaxY = y[i]; } if (x[i] >= currentX || i === toIndex) { if (optimize) { if (minY > newY[newX.length - 1]) { // we can skip the intermediate value } else if (xyMaxY < newY[newX.length - 1]) { // we can skip the intermediate value xyMaxY = minY; } else { newX.push(currentX - slot / 2); newY.push(minY); } } else { newX.push(currentX - slot / 2); newY.push(minY); } newX.push(currentX); newY.push(xyMaxY); currentX += slot; first = true; } } } } export function notEnoughPoints( x: NumberArray, y: NumberArray, internalZones: InternalZone[], totalPoints: number, ) { const newX = new Float64Array(totalPoints); const newY = new Float64Array(totalPoints); let index = 0; for (const zone of internalZones) { for (let i = zone.fromIndex; i < zone.toIndex + 1; i++) { newX[index] = x[i]; newY[index] = y[i]; index++; } } return { x: newX, y: newY, }; } export function getInternalZones(zones: FromTo[], x: NumberArray) { // for each zone we should know the first index, the last index and the number of points const internalZones: InternalZone[] = []; let totalPoints = 0; for (const zone of zones) { let fromIndex = xFindClosestIndex(x, zone.from); let toIndex = xFindClosestIndex(x, zone.to); if (fromIndex > 0 && x[fromIndex] > zone.from) { fromIndex--; } if (toIndex < x.length - 1 && x[toIndex] < zone.to) { toIndex++; } const nbPoints = toIndex - fromIndex + 1; internalZones.push({ from: zone.from, to: zone.to, fromIndex, toIndex, nbPoints, }); totalPoints += nbPoints; } return { internalZones, totalPoints }; }