"use strict";
/**
 * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author David Sehnal <david.sehnal@gmail.com>
 */
Object.defineProperty(exports, "__esModule", { value: true });
exports.computeDensityIsocontourValues = exports.createSphericalCollocationDensityGrid = void 0;
var tslib_1 = require("tslib");
var util_1 = require("../../mol-data/util");
var grid3d_1 = require("../../mol-gl/compute/grid3d");
var mol_task_1 = require("../../mol-task");
var data_model_1 = require("./data-model");
var compute_1 = require("./gpu/compute");
function createSphericalCollocationDensityGrid(params, orbitals, webgl) {
    var _this = this;
    return mol_task_1.Task.create('Spherical Collocation Grid', function (ctx) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
        var cubeGrid, matrix, grid, isovalues;
        return (0, tslib_1.__generator)(this, function (_a) {
            switch (_a.label) {
                case 0:
                    cubeGrid = (0, data_model_1.initCubeGrid)(params);
                    if (!(0, grid3d_1.canComputeGrid3dOnGPU)(webgl)) return [3 /*break*/, 2];
                    return [4 /*yield*/, (0, compute_1.gpuComputeAlphaOrbitalsDensityGridValues)(ctx, webgl, cubeGrid, orbitals)];
                case 1:
                    // console.time('gpu');
                    matrix = _a.sent();
                    return [3 /*break*/, 3];
                case 2: throw new Error('Missing OES_texture_float WebGL extension.');
                case 3:
                    grid = (0, data_model_1.createGrid)(cubeGrid, matrix, [0, 1, 2]);
                    if (!params.doNotComputeIsovalues) {
                        isovalues = computeDensityIsocontourValues(matrix, 0.85);
                    }
                    return [2 /*return*/, { grid: grid, isovalues: isovalues }];
            }
        });
    }); });
}
exports.createSphericalCollocationDensityGrid = createSphericalCollocationDensityGrid;
function computeDensityIsocontourValues(input, cumulativeThreshold) {
    var weightSum = 0;
    for (var i = 0, _i = input.length; i < _i; i++) {
        var v = input[i];
        var w = Math.abs(v);
        weightSum += w;
    }
    var avgWeight = weightSum / input.length;
    var minWeight = 3 * avgWeight;
    // do not try to identify isovalues for degenerate data
    // e.g. all values are almost same
    if (Math.abs(avgWeight - input[0] * input[0]) < 1e-5) {
        return { negative: void 0, positive: void 0 };
    }
    var size = 0;
    while (true) {
        var csum = 0;
        size = 0;
        for (var i = 0, _i = input.length; i < _i; i++) {
            var v = input[i];
            var w = Math.abs(v);
            if (w >= minWeight) {
                csum += w;
                size++;
            }
        }
        if (csum / weightSum > cumulativeThreshold) {
            break;
        }
        minWeight -= avgWeight;
    }
    var values = new Float32Array(size);
    var weights = new Float32Array(size);
    var indices = new Int32Array(size);
    var o = 0;
    for (var i = 0, _i = input.length; i < _i; i++) {
        var v = input[i];
        var w = Math.abs(v);
        if (w >= minWeight) {
            values[o] = v;
            weights[o] = w;
            indices[o] = o;
            o++;
        }
    }
    (0, util_1.sortArray)(indices, function (indices, i, j) { return weights[indices[j]] - weights[indices[i]]; });
    var cweight = 0, cutoffIndex = 0;
    for (var i = 0; i < size; i++) {
        cweight += weights[indices[i]];
        if (cweight / weightSum >= cumulativeThreshold) {
            cutoffIndex = i;
            break;
        }
    }
    var positive = Number.POSITIVE_INFINITY, negative = Number.NEGATIVE_INFINITY;
    for (var i = 0; i < cutoffIndex; i++) {
        var v = values[indices[i]];
        if (v > 0) {
            if (v < positive)
                positive = v;
        }
        else if (v < 0) {
            if (v > negative)
                negative = v;
        }
    }
    return {
        negative: negative !== Number.NEGATIVE_INFINITY ? negative : void 0,
        positive: positive !== Number.POSITIVE_INFINITY ? positive : void 0,
    };
}
exports.computeDensityIsocontourValues = computeDensityIsocontourValues;
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