speck-renderer
Version:
Browser-based WebGL molecule renderer with the goal of producing figures that are as attractive as they are practical.
7 lines (6 loc) • 4.26 kB
JavaScript
"use strict";
Object.defineProperty(exports, "__esModule", {
value: true
});
var bondsShader = "#version 100\nprecision highp float;\n\nattribute vec3 aImposter;\nattribute vec3 aPosA;\nattribute vec3 aPosB;\nattribute float aRadA;\nattribute float aRadB;\nattribute vec3 aColA;\nattribute vec3 aColB;\n\nuniform mat4 uView;\nuniform mat4 uProjection;\nuniform mat4 uModel;\nuniform mat4 uRotation;\nuniform float uBondRadius;\nuniform float uAtomScale;\nuniform float uRelativeAtomScale;\n\nvarying vec3 vNormal;\nvarying vec3 vPosA, vPosB;\nvarying float vRadA, vRadB;\nvarying vec3 vColA, vColB;\nvarying float vRadius;\n\nmat3 alignVector(vec3 a, vec3 b) {\n vec3 v = cross(a, b);\n float s = length(v);\n float c = dot(a, b);\n mat3 I = mat3(\n 1, 0, 0,\n 0, 1, 0,\n 0, 0, 1\n );\n mat3 vx = mat3(\n 0, v.z, -v.y,\n -v.z, 0, v.x,\n v.y, -v.x, 0\n );\n return I + vx + vx * vx * ((1.0 - c) / (s * s));\n}\n\nvoid main() {\n vRadius = uBondRadius;\n vec3 pos = vec3(aImposter);\n // Scale the box in x and z to be bond-radius.\n pos = pos * vec3(vRadius, 1, vRadius);\n // Shift the origin-centered cube so that the bottom is at the origin.\n pos = pos + vec3(0, 1, 0);\n // Stretch the box in y so that it is the length of the bond.\n pos = pos * vec3(1, length(aPosA - aPosB) * 0.5, 1);\n // Find the rotation that aligns vec3(0, 1, 0) with vec3(uPosB - uPosA) and apply it.\n vec3 a = normalize(vec3(-0.000001, 1.000001, 0.000001));\n vec3 b = normalize(aPosB - aPosA);\n mat3 R = alignVector(a, b);\n pos = R * pos;\n // Shift the cube so that the bottom is centered at the middle of atom A.\n pos = pos + aPosA;\n\n vec4 position = uModel * vec4(pos, 1);\n gl_Position = uProjection * uView * position;\n vPosA = aPosA;\n vPosB = aPosB;\n vRadA = uAtomScale * (1.0 + (aRadA - 1.0) * uRelativeAtomScale);\n vRadB = uAtomScale * (1.0 + (aRadB - 1.0) * uRelativeAtomScale);\n vColA = aColA;\n vColB = aColB;\n}\n\n\n// __split__\n\n\n#version 100\n#extension GL_EXT_frag_depth: enable\nprecision highp float;\n\nuniform mat4 uRotation;\nuniform vec2 uBottomLeft;\nuniform vec2 uTopRight;\nuniform float uDepth;\nuniform float uRes;\nuniform float uBondShade;\nuniform int uMode;\n\nvarying vec3 vPosA, vPosB;\nvarying float vRadA, vRadB;\nvarying vec3 vColA, vColB;\nvarying float vRadius;\n\nmat3 alignVector(vec3 a, vec3 b) {\n vec3 v = cross(a, b);\n float s = length(v);\n float c = dot(a, b);\n mat3 I = mat3(\n 1, 0, 0,\n 0, 1, 0,\n 0, 0, 1\n );\n mat3 vx = mat3(\n 0, v.z, -v.y,\n -v.z, 0, v.x,\n v.y, -v.x, 0\n );\n return I + vx + vx * vx * ((1.0 - c) / (s * s));\n}\n\nvoid main() {\n\n vec2 res = vec2(uRes, uRes);\n vec3 r0 = vec3(uBottomLeft + (gl_FragCoord.xy/res) * (uTopRight - uBottomLeft), uDepth/2.0);\n vec3 rd = vec3(0, 0, -1);\n\n vec3 i = normalize(vPosB - vPosA);\n i = vec3(uRotation * vec4(i, 0));\n vec3 j = normalize(vec3(-0.000001, 1.000001, 0.000001));\n mat3 R = alignVector(i, j);\n\n vec3 r0p = r0 - vec3(uRotation * vec4(vPosA, 0));\n r0p = R * r0p;\n vec3 rdp = R * rd;\n\n float a = dot(rdp.xz, rdp.xz);\n float b = 2.0 * dot(rdp.xz, r0p.xz);\n float c = dot(r0p.xz, r0p.xz) - vRadius*vRadius;\n float disc = b*b - 4.0*a*c;\n if (disc <= 0.0) {\n discard;\n }\n float t = (-b - sqrt(disc))/(2.0*a);\n if (t < 0.0) {\n discard;\n }\n\n vec3 coord = r0p + rdp * t;\n if (coord.y < 0.0 || coord.y > length(vPosA - vPosB)) {\n discard;\n }\n\n vec3 color;\n if (coord.y < vRadA + 0.5 * (length(vPosA - vPosB) - (vRadA + vRadB))) {\n color = vColA;\n } else {\n color = vColB;\n }\n\n color = mix(color, vec3(1,1,1), uBondShade);\n\n R = alignVector(j, i);\n vec3 normal = normalize(R * vec3(coord.x, 0, coord.z));\n\n coord = r0 + rd * t;\n if (uMode == 0) {\n gl_FragColor = vec4(color, 1);\n } else if (uMode == 1) {\n gl_FragColor = vec4(normal * 0.5 + 0.5, 1.0);\n }\n gl_FragDepthEXT = -(coord.z - uDepth/2.0)/uDepth;\n}";
exports.default = bondsShader;