molstar
Version:
A comprehensive macromolecular library.
83 lines (82 loc) • 3.35 kB
JavaScript
;
/**
* Copyright (c) 2024-25 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.maDrawPairwiseMetricPNG = maDrawPairwiseMetricPNG;
const atomic_1 = require("../../../../mol-model/structure/model/properties/atomic");
const color_1 = require("../../../../mol-util/color");
const DefaultMetricColorRange = [0x00441B, 0xF7FCF5];
function drawMetricPNG(model, metric, colorRange, noDataColor) {
var _a;
const [minResidueIndex, maxResidueIndex] = metric.residueRange;
const [minMetric, maxMetric] = metric.valueRange;
const [minColor, maxColor] = colorRange;
const range = maxResidueIndex - minResidueIndex + 1;
const valueRange = maxMetric - minMetric;
const values = metric.values;
const canvas = document.createElement('canvas');
canvas.width = range;
canvas.height = range;
const ctx = canvas.getContext('2d');
ctx.fillStyle = color_1.Color.toStyle(noDataColor);
ctx.fillRect(0, 0, canvas.width, canvas.height);
const colorCache = new Map();
const getColor = (t) => {
const rounded = Math.round(t * 0xffff);
if (colorCache.has(rounded)) {
return colorCache.get(rounded);
}
const color = color_1.Color.interpolate(minColor, maxColor, rounded / 0xffff);
const style = color_1.Color.toStyle(color);
colorCache.set(rounded, style);
return style;
};
for (let rA = minResidueIndex; rA <= maxResidueIndex; rA++) {
const row = values[rA];
if (!row)
continue;
for (let rB = minResidueIndex; rB <= maxResidueIndex; rB++) {
const value = row[rB];
if (typeof value !== 'number')
continue;
const x = rA - minResidueIndex;
const y = rB - minResidueIndex;
const t = (value - minMetric) / valueRange;
ctx.fillStyle = getColor(t);
ctx.fillRect(x, y, 1, 1);
if (typeof ((_a = values[rB]) === null || _a === void 0 ? void 0 : _a[rA]) !== 'number') {
ctx.fillRect(y, x, 1, 1);
}
}
}
const chains = [];
const hierarchy = model.atomicHierarchy;
const { label_asym_id } = hierarchy.chains;
let cI = atomic_1.AtomicHierarchy.residueChainIndex(hierarchy, minResidueIndex);
let currentChain = { startOffset: 0, endOffset: 1, label: label_asym_id.value(cI) };
chains.push(currentChain);
for (let i = 1; i < range; i++) {
cI = atomic_1.AtomicHierarchy.residueChainIndex(hierarchy, (minResidueIndex + i));
const asym_id = label_asym_id.value(cI);
if (asym_id === currentChain.label) {
currentChain.endOffset = i + 1;
}
else {
currentChain = { startOffset: i, endOffset: i + 1, label: asym_id };
chains.push(currentChain);
}
}
return {
model,
metric,
chains,
colorRange: [color_1.Color.toStyle(colorRange[0]), color_1.Color.toStyle(colorRange[1])],
png: canvas.toDataURL('png')
};
}
function maDrawPairwiseMetricPNG(model, metric) {
return drawMetricPNG(model, metric, DefaultMetricColorRange, (0, color_1.Color)(0xE2E2E2));
}