给定一组点,如何在Javascript中生成多面体

时间:2016-06-04 21:59:29

标签: javascript 3d webgl polyhedra

我正在进行材料科学的WEBGL可视化项目。我现在想要完成的是,我有一组原子的三维坐标。它们结合在一起。我想为每个分子创建一个多面体。

我注意到Matlab there is a handy function called alphaShape which can determine the most similar shape according to your input points and return the best match of polyhedron.

我试图通过使用强力方法解决问题:我遍历整个点数组并用三个点的每个组合形成三角形。以下问题是如何检测哪些面被摆脱?因为一些三角形面将穿过外围原子与之结合的中心原子。

我将不胜感激任何建议和想法! 谢谢!

1 个答案:

答案 0 :(得分:2)

图书馆alpha-shape似乎可以做你想要的。

我给了它一组球体点并让它生成三角形。

示例:



//var alphaShape = require('alpha-shape')

var subdivisionsHeight = 12;
var subdivisionsAxis = 16;
var longRange = Math.PI * 2;
var latRange = Math.PI;
var radius = 4;

var points = [];
for (var y = 0; y <= subdivisionsHeight; y++) {
  for (var x = 0; x < subdivisionsAxis; x++) {
    // Generate a vertex based on its spherical coordinates
    var u = x / subdivisionsAxis;
    var v = y / subdivisionsHeight;
    var theta = longRange * u;
    var phi = latRange * v;
    var sinTheta = Math.sin(theta);
    var cosTheta = Math.cos(theta);
    var sinPhi = Math.sin(phi);
    var cosPhi = Math.cos(phi);
    var ux = cosTheta * sinPhi;
    var uy = cosPhi;
    var uz = sinTheta * sinPhi;
    points.push([radius * ux, radius * uy, radius * uz]);
    if (y == 0 || y == subdivisionsHeight) {
      break;
    }
  }
}

// var cells = alphaShape(0.1, points)
// Results from alphaShape

var cells = [ [ 2, 0, 1 ],
  [ 0, 2, 3 ],
  [ 0, 3, 4 ],
  [ 5, 0, 4 ],
  [ 5, 6, 0 ],
  [ 7, 0, 6 ],
  [ 0, 7, 8 ],
  [ 0, 16, 1 ],
  [ 9, 0, 8 ],
  [ 0, 9, 10 ],
  [ 0, 10, 11 ],
  [ 1, 18, 2 ],
  [ 0, 11, 12 ],
  [ 18, 3, 2 ],
  [ 0, 12, 13 ],
  [ 14, 0, 13 ],
  [ 3, 20, 4 ],
  [ 0, 14, 15 ],
  [ 4, 20, 5 ],
  [ 15, 16, 0 ],
  [ 5, 22, 6 ],
  [ 22, 7, 6 ],
  [ 18, 1, 17 ],
  [ 24, 8, 7 ],
  [ 19, 3, 18 ],
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  [ 19, 20, 3 ],
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  [ 22, 5, 21 ],
  [ 1, 16, 32 ],
  [ 1, 32, 17 ],
  [ 11, 28, 12 ],
  [ 22, 23, 7 ],
  [ 13, 12, 28 ],
  [ 23, 24, 7 ],
  [ 14, 13, 30 ],
  [ 25, 9, 24 ],
  [ 15, 14, 30 ],
  [ 25, 26, 9 ],
  [ 16, 15, 32 ],
  [ 26, 27, 11 ],
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  [ 18, 17, 33 ],
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function flatten(array) {
  return array.reduce(function(a, b) {
    return a.concat(b);
  }, []);
}

// the cells are triangle (3 points). To draw lines we need 6 A->B, B->C, C->A
function expandToLines(cells) {
  return flatten(cells.map(function(cell) {
    return [cell[0], cell[1], cell[1], cell[2], cell[2], cell[0]];
  }));
}

var vs = `
attribute vec4 position;
uniform mat4 u_matrix;
void main() {
  gl_Position = u_matrix * position;
}
`;
var fs = `
precision mediump float;

void main() {
  gl_FragColor = vec4(0, 0, 0, 1);
}
`;

var m4 = twgl.m4;
var gl = document.getElementById("c").getContext("webgl");
var programInfo = twgl.createProgramInfo(gl, [vs, fs]);
var arrays = {
  position: flatten(points),
  indices: expandToLines(cells),
};
var bufferInfo = twgl.createBufferInfoFromArrays(gl, arrays);

function render(time) {
  time *= 0.001;
  twgl.resizeCanvasToDisplaySize(gl.canvas);
  gl.viewport(0, 0, gl.canvas.width, gl.canvas.height);

  var projection = m4.perspective(
      60 * Math.PI / 180, gl.canvas.clientWidth / gl.canvas.clientHeight, 0.5, 20);
  var eye = [1, 4, -10];
  var target = [0, 0, 0];
  var up = [0, 1, 0];

  var camera = m4.lookAt(eye, target, up);
  var view = m4.inverse(camera);
  var viewProjection = m4.multiply(projection, view);
  var world = m4.rotateX(m4.rotationY(time), time * 0.7);

  var uniforms = {
    u_matrix: m4.multiply(viewProjection, world),
  };

  gl.useProgram(programInfo.program);
  twgl.setBuffersAndAttributes(gl, programInfo, bufferInfo);
  twgl.setUniforms(programInfo, uniforms);
  twgl.drawBufferInfo(gl, bufferInfo, gl.LINES);

  requestAnimationFrame(render);
}
requestAnimationFrame(render);
&#13;
body { margin: 0 }
canvas { width: 100vw; height: 100vh; }
&#13;
<script src="https://twgljs.org/dist/2.x/twgl-full.min.js"></script>
<canvas id="c"></canvas>
&#13;
&#13;
&#13;

请注意,您需要确保不要给出任何重合点。请注意,球体点生成避免了重合点。