bands-visualiser/src/getBandStructure.js

A plotly.js renderer for Bands, DOS, combined Bands/Dos and fatBands.

import { plotBandLayout, traceDefaultBands } from "./utils/MCXDPlotTemplates";

import { transpose } from "./utils/dataUtils";

import deepmerge from "deepmerge";

import {
  getXLabelsfromkpath,
  getXLabelPos,
  getXYData,
  prettifyLabels,
  getColor,
} from "./utils/plotUtils";

function getBandTraces(xs, ys, traceFormat = {}) {
  const lineTraces = [];
  ys.forEach((yVals, i) => {
    lineTraces.push({
      name: traceFormat.name,
      legendgroup: traceFormat.name,
      showlegend: i === 0,
      ...traceDefaultBands,
      ...traceFormat,
      x: xs,
      y: yVals,
    });
  });

  return lineTraces;
}

function getBandLayout(xLabels = [], xLabelPos = []) {
  const fullLayout = deepmerge.all([
    plotBandLayout,

    {
      xaxis: {
        tickvals: xLabelPos,
        ticktext: xLabels,
      },
      yaxis: {},
    },
  ]);
  return fullLayout;
}

export function getBandStructure(bandsDataArray) {
  // layout

  // TODO add new logic (x, ys)...

  const splitLabels = getXLabelsfromkpath(bandsDataArray[0].bandsData.path);
  const xLabels = splitLabels.map(prettifyLabels);
  const xLabelsPos = getXLabelPos(bandsDataArray[0].bandsData.paths);
  const bandLayout = getBandLayout(xLabels, xLabelsPos);

  // traces here
  let bandTraces = [];
  for (const [index, i] of bandsDataArray.entries()) {
    let formatting = i.traceFormat;
    // if there is no traceFormat info we give a color and a label
    if (!formatting || Object.keys(formatting).length === 0) {
      const color = getColor(index);
      formatting = {
        name: `Band Structure ${index}`,
        line: {
          color: getColor(index),
          width: 1.0,
        },
      };
    }
    const bandsData = i.bandsData;
    const { xs, ys } = getXYData(bandsData);

    const traces = getBandTraces(xs, ys, formatting);
    bandTraces.push(...traces);
  }

  return { bandTraces, bandLayout };
}