diff --git a/src/structure/data.ts b/src/structure/data.ts new file mode 100644 index 0000000000000000000000000000000000000000..b187da64126bf14ec4a86fe9a4b422b1bc6414bb --- /dev/null +++ b/src/structure/data.ts @@ -0,0 +1,40 @@ +/** + * Copyright (c) 2017 molio contributors, licensed under MIT, See LICENSE file for more info. + * + * @author David Sehnal <david.sehnal@gmail.com> + */ + +export type Table<Data> = { rowCount: number } & { [E in keyof Data]: ArrayLike<Data[E]> } +export type DataTable<Data> = { data: any } & Table<Data & { dataIndex: number }> + +export interface Position { x: number, y: number, z: number } +export interface Positions extends Table<Position> {} + +export interface Atom { + name: string, + elementSymbol: string, + altLoc: string | null, +} +export interface Atoms extends DataTable<Atom> { } + +export interface Residue { + key: number, + name: string, + seqNumber: number, + insCode: string | null, + isHet: number +} +export interface Residues extends DataTable<Residue> { } + +export interface Chain { key: number, id: string } +export interface Chains extends DataTable<Chain> { } + +export interface Entity { key: number, id: string } +export interface Entities extends DataTable<Entity> { } + +export interface SecondaryStructure { + +} +export interface SecondaryStructures extends Table<SecondaryStructure> { + +} \ No newline at end of file diff --git a/src/structure/model.ts b/src/structure/model.ts new file mode 100644 index 0000000000000000000000000000000000000000..26666ca43b4401bf01b5671a13e57deb4e9e46c3 --- /dev/null +++ b/src/structure/model.ts @@ -0,0 +1,141 @@ +/** + * Copyright (c) 2017 molio contributors, licensed under MIT, See LICENSE file for more info. + * + * @author David Sehnal <david.sehnal@gmail.com> + */ + +import * as Data from './data' +import { Vec3, Mat4 } from '../utils/linear-algebra' + + +/** Unit = essentially a list of residues (usually a chain) */ +export interface Unit extends Readonly<{ + /** The static part (essentially residue annotations) */ + structre: Unit.Structure, + /** 3D arrangement that often changes with time. */ + conformation: Unit.Conformation +}> { } + +export namespace Unit { + export interface ResidueLayer extends Readonly<{ + data: Data.Residues, + /** Indices into the data table. */ + index: ArrayLike<number>, + /** Offsets of atoms in the residue layer. start = offsets[i], endExclusive = offsets[i + 1] */ + offset: ArrayLike<number> + }> { } + + export interface AtomLayer extends Readonly<{ + data: Data.Atoms, + /** Indices into the data table. */ + index: ArrayLike<number>, + /** Index of a residue in the corresponding residue layer. */ + residue: number + }> { } + + /** Represent the th */ + export interface Structure extends Readonly<{ + /** A globally unique number for this instance (to easily determine unique structures within a model) */ + key: number, + /** Reference to the Data.Entities table */ + entity: number, + /** Reference to the Data.Chains table */ + chain: number, + residues: ResidueLayer, + atoms: AtomLayer + }> { } + + export interface Bonds extends Readonly<{ + /** + * Where bonds for atom A start and end. + * Start at idx, end at idx + 1 + */ + offset: ArrayLike<number>, + neighbor: ArrayLike<number>, + + order: ArrayLike<number>, + flags: ArrayLike<number>, + + count: number + }> { } + + export interface Conformation extends Readonly<{ + positions: Data.Positions + spatialLookup: any, // TODO + boundingSphere: { readonly center: Vec3, readonly radius: number }, + secodaryStructure: Data.SecondaryStructures, + bonds: Bonds + }> { } + + export type OperatorKind = + | { kind: 'identity' } + | { kind: 'symmetry', id: string, hkl: Vec3 } + | { kind: 'assembly', index: number } + + export interface Operator extends Readonly<{ + kind: OperatorKind, + transform: Mat4, + inverse: Mat4 + }> { } + + export interface Lookup3D { + // TODO + } +} + +export interface Model extends Readonly<{ + index: number, + + structure: Model.Structure, + conformation: Model.Conformation +}> { } + +export namespace Model { + export interface Structure extends Readonly<{ + entityData: Data.Entities, + chainData: Data.Chains, + + operators: Unit.Operator[], + units: Unit.Structure[] + }> { } + + export interface Conformation extends Readonly<{ + units: Unit.Conformation[], + spatialLookup: Unit.Lookup3D + }> { } +} + +export namespace Atom { + /** + * Represents a "packed reference" to an atom. + * This is because selections can then be represented + * a both number[] and Float64Array(), making it much + * more efficient than storing an array of objects. + */ + export type Reference = number + export interface Location { unit: number, atom: number } + + const { _uint32, _float64 } = (function() { + const data = new ArrayBuffer(8); + return { _uint32: new Uint32Array(data), _float64: new Float64Array(data) }; + }()); + + export function emptyLocation(): Location { return { unit: 0, atom: 0 }; } + + export function getRef(location: Location) { + _uint32[0] = location.unit; + _uint32[1] = location.atom; + return _float64[0]; + } + + export function getLocation(ref: Reference) { + return updateLocation(ref, emptyLocation()); + } + + export function updateLocation(ref: Reference, location: Location): Location { + _float64[0] = ref; + location.unit = _uint32[0]; + location.atom = _uint32[1]; + return location; + } +} diff --git a/src/structure/symmetry.ts b/src/structure/symmetry.ts new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/src/structure/topology/connected-components.ts b/src/structure/topology/connected-components.ts new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/src/structure/topology/secondary-structure.ts b/src/structure/topology/secondary-structure.ts new file mode 100644 index 0000000000000000000000000000000000000000..75d1f4b893fdd3640882394b54d5e4e7d9f33071 --- /dev/null +++ b/src/structure/topology/secondary-structure.ts @@ -0,0 +1,128 @@ +/** + * Copyright (c) 2017 molio contributors, licensed under MIT, See LICENSE file for more info. + * + * @author Alexander Rose <alexander.rose@weirdbyte.de> + */ + +const enum SSF { + None = 0x0, + + // category + DoubleHelix = 0x1, + Helix = 0x2, + Beta = 0x4, + Turn = 0x8, + + // category variant + LeftHanded = 0x10, // helix + RightHanded = 0x20, + + ClassicTurn = 0x40, // turn + InverseTurn = 0x80, + + // sub-category + HelixOther = 0x100, // protein + Helix27 = 0x200, + Helix3Ten = 0x400, + HelixAlpha = 0x800, + HelixGamma = 0x1000, + HelixOmega = 0x2000, + HelixPi = 0x4000, + HelixPolyproline = 0x8000, + + DoubleHelixOther = 0x10000, // nucleic + DoubleHelixZ = 0x20000, + DoubleHelixA = 0x40000, + DoubleHelixB = 0x80000, + + BetaOther = 0x100000, // protein + BetaStrand = 0x200000, // single strand + BetaSheet = 0x400000, // multiple hydrogen bonded strands + BetaBarell = 0x800000, // closed series of sheets + + TurnOther = 0x1000000, // protein + Turn1 = 0x2000000, + Turn2 = 0x4000000, + Turn3 = 0x8000000, + + NA = 0x10000000, // not applicable/available +} +export { SSF as SecondaryStructureFlag } + +export const SecondaryStructureMmcif: { [value: string]: number } = { + HELX_LH_27_P: SSF.Helix | SSF.LeftHanded | SSF.Helix27, // left-handed 2-7 helix (protein) + HELX_LH_3T_P: SSF.Helix | SSF.LeftHanded | SSF.Helix3Ten, // left-handed 3-10 helix (protein) + HELX_LH_AL_P: SSF.Helix | SSF.LeftHanded | SSF.HelixAlpha, // left-handed alpha helix (protein) + HELX_LH_A_N: SSF.DoubleHelix | SSF.LeftHanded | SSF.DoubleHelixA, // left-handed A helix (nucleic acid) + HELX_LH_B_N: SSF.DoubleHelix | SSF.LeftHanded | SSF.DoubleHelixB, // left-handed B helix (nucleic acid) + HELX_LH_GA_P: SSF.Helix | SSF.LeftHanded | SSF.HelixGamma, // left-handed gamma helix (protein) + HELX_LH_N: SSF.DoubleHelix | SSF.LeftHanded, // left-handed helix with type not specified (nucleic acid) + HELX_LH_OM_P: SSF.Helix | SSF.LeftHanded | SSF.HelixOmega, // left-handed omega helix (protein) + HELX_LH_OT_N: SSF.DoubleHelix | SSF.LeftHanded | SSF.DoubleHelixOther, // left-handed helix with type that does not conform to an accepted category (nucleic acid) + HELX_LH_OT_P: SSF.Helix | SSF.LeftHanded | SSF.HelixOther, // left-handed helix with type that does not conform to an accepted category (protein) + HELX_LH_P: SSF.Helix | SSF.LeftHanded, // left-handed helix with type not specified (protein) + HELX_LH_PI_P: SSF.Helix | SSF.LeftHanded | SSF.HelixPi, // left-handed pi helix (protein) + HELX_LH_PP_P: SSF.Helix | SSF.LeftHanded | SSF.HelixPolyproline, // left-handed polyproline helix (protein) + HELX_LH_Z_N: SSF.DoubleHelix | SSF.LeftHanded | SSF.DoubleHelixZ, // left-handed Z helix (nucleic acid) + HELX_N: SSF.DoubleHelix, // helix with handedness and type not specified (nucleic acid) + HELX_OT_N: SSF.DoubleHelix, // helix with handedness and type that do not conform to an accepted category (nucleic acid) + HELX_OT_P: SSF.Helix, // helix with handedness and type that do not conform to an accepted category (protein) + HELX_P: SSF.Helix, // helix with handedness and type not specified (protein) + HELX_RH_27_P: SSF.Helix | SSF.RightHanded | SSF.Helix27, // right-handed 2-7 helix (protein) + HELX_RH_3T_P: SSF.Helix | SSF.RightHanded | SSF.Helix3Ten, // right-handed 3-10 helix (protein) + HELX_RH_AL_P: SSF.Helix | SSF.RightHanded | SSF.HelixAlpha, // right-handed alpha helix (protein) + HELX_RH_A_N: SSF.DoubleHelix | SSF.RightHanded | SSF.DoubleHelixA, // right-handed A helix (nucleic acid) + HELX_RH_B_N: SSF.DoubleHelix | SSF.RightHanded | SSF.DoubleHelixB, // right-handed B helix (nucleic acid) + HELX_RH_GA_P: SSF.Helix | SSF.RightHanded | SSF.HelixGamma, // right-handed gamma helix (protein) + HELX_RH_N: SSF.DoubleHelix | SSF.RightHanded, // right-handed helix with type not specified (nucleic acid) + HELX_RH_OM_P: SSF.Helix | SSF.RightHanded | SSF.HelixOmega, // right-handed omega helix (protein) + HELX_RH_OT_N: SSF.DoubleHelix | SSF.RightHanded | SSF.DoubleHelixOther, // right-handed helix with type that does not conform to an accepted category (nucleic acid) + HELX_RH_OT_P: SSF.Helix | SSF.RightHanded | SSF.HelixOther, // right-handed helix with type that does not conform to an accepted category (protein) + HELX_RH_P: SSF.Helix | SSF.RightHanded, // right-handed helix with type not specified (protein) + HELX_RH_PI_P: SSF.Helix | SSF.RightHanded | SSF.HelixPi, // right-handed pi helix (protein) + HELX_RH_PP_P: SSF.Helix | SSF.RightHanded | SSF.HelixPolyproline, // right-handed polyproline helix (protein) + HELX_RH_Z_N: SSF.DoubleHelix | SSF.RightHanded | SSF.DoubleHelixZ, // right-handed Z helix (nucleic acid) + STRN: SSF.Beta | SSF.BetaStrand, // beta strand (protein) + TURN_OT_P: SSF.Turn | SSF.TurnOther, // turn with type that does not conform to an accepted category (protein) + TURN_P: SSF.Turn, // turn with type not specified (protein) + TURN_TY1P_P: SSF.Turn | SSF.InverseTurn | SSF.Turn1, // type I prime turn (protein) + TURN_TY1_P: SSF.Turn | SSF.ClassicTurn | SSF.Turn1, // type I turn (protein) + TURN_TY2P_P: SSF.Turn | SSF.InverseTurn | SSF.Turn2, // type II prime turn (protein) + TURN_TY2_P: SSF.Turn | SSF.ClassicTurn | SSF.Turn2, // type II turn (protein) + TURN_TY3P_P: SSF.Turn | SSF.InverseTurn | SSF.Turn3, // type III prime turn (protein) + TURN_TY3_P: SSF.Turn | SSF.ClassicTurn | SSF.Turn3, // type III turn (protein) +} + +export const SecondaryStructurePdb: { [value: string]: number } = { + 1: SSF.Helix | SSF.RightHanded | SSF.HelixAlpha, // Right-handed alpha (default) + 2: SSF.Helix | SSF.RightHanded | SSF.HelixOmega, // Right-handed omega + 3: SSF.Helix | SSF.RightHanded | SSF.HelixPi, // Right-handed pi + 4: SSF.Helix | SSF.RightHanded | SSF.HelixGamma, // Right-handed gamma + 5: SSF.Helix | SSF.RightHanded | SSF.Helix3Ten, // Right-handed 310 + 6: SSF.Helix | SSF.LeftHanded | SSF.HelixAlpha, // Left-handed alpha + 7: SSF.Helix | SSF.LeftHanded | SSF.HelixOmega, // Left-handed omega + 8: SSF.Helix | SSF.LeftHanded | SSF.HelixGamma, // Left-handed gamma + 9: SSF.Helix | SSF.Helix27, // 27 ribbon/helix + 10: SSF.Helix | SSF.HelixPolyproline, // Polyproline +} + +export const SecondaryStructureStride: { [value: string]: number } = { + H: SSF.Helix | SSF.HelixAlpha, // Alpha helix + G: SSF.Helix | SSF.Helix3Ten, // 3-10 helix + I: SSF.Helix | SSF.HelixPi, // PI-helix + E: SSF.Beta | SSF.BetaSheet, // Extended conformation + B: SSF.Beta | SSF.BetaStrand, // Isolated bridge + b: SSF.Beta | SSF.BetaStrand, // Isolated bridge + T: SSF.Turn, // Turn + C: SSF.NA, // Coil (none of the above) +} + +export const SecondaryStructureDssp: { [value: string]: number } = { + H: SSF.Helix | SSF.HelixAlpha, // alpha-helix + B: SSF.Beta | SSF.BetaStrand, // residue in isolated beta-bridge + E: SSF.Beta | SSF.BetaSheet, // extended strand, participates in beta ladder + G: SSF.Helix | SSF.Helix3Ten, // 3-helix (310 helix) + I: SSF.Helix | SSF.HelixPi, // 5 helix (pi-helix) + T: SSF.Turn, // hydrogen bonded turn + S: SSF.Turn, // bend +} \ No newline at end of file diff --git a/src/utils/linear-algebra.ts b/src/utils/linear-algebra.ts new file mode 100644 index 0000000000000000000000000000000000000000..fa6af909bcc9ea8f30d8bfd6b1afa91d29dfaff8 --- /dev/null +++ b/src/utils/linear-algebra.ts @@ -0,0 +1,690 @@ +/** + * Copyright (c) 2017 molio contributors, licensed under MIT, See LICENSE file for more info. + * + * @author David Sehnal <david.sehnal@gmail.com> + */ + +/* + * This code has been modified from https://github.com/toji/gl-matrix/, + * copyright (c) 2015, Brandon Jones, Colin MacKenzie IV. + * + * Permission is hereby granted, free of charge, to any person obtaining a copy + * of this software and associated documentation files (the "Software"), to deal + * in the Software without restriction, including without limitation the rights + * to use, copy, modify, merge, publish, distribute, sublicense, and/or sell + * copies of the Software, and to permit persons to whom the Software is + * furnished to do so, subject to the following conditions: + */ + +export type Mat4 = number[] +export type Vec3 = number[] +export type Vec4 = number[] + +const enum EPSILON { Value = 0.000001 } + +export function Mat4() { + return Mat4.zero(); +} + +/** + * Stores a 4x4 matrix in a column major (j * 4 + i indexing) format. + */ +export namespace Mat4 { + export function zero(): number[] { + // force double backing array by 0.1. + const ret = [0.1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]; + ret[0] = 0.0; + return ret; + } + + export function identity(): number[] { + let out = zero(); + out[0] = 1; + out[1] = 0; + out[2] = 0; + out[3] = 0; + out[4] = 0; + out[5] = 1; + out[6] = 0; + out[7] = 0; + out[8] = 0; + out[9] = 0; + out[10] = 1; + out[11] = 0; + out[12] = 0; + out[13] = 0; + out[14] = 0; + out[15] = 1; + return out; + } + + export function fromIdentity(mat: number[]): number[] { + mat[0] = 1; + mat[1] = 0; + mat[2] = 0; + mat[3] = 0; + mat[4] = 0; + mat[5] = 1; + mat[6] = 0; + mat[7] = 0; + mat[8] = 0; + mat[9] = 0; + mat[10] = 1; + mat[11] = 0; + mat[12] = 0; + mat[13] = 0; + mat[14] = 0; + mat[15] = 1; + return mat; + } + + export function ofRows(rows: number[][]): number[] { + let out = zero(), i: number, j: number, r: number[]; + for (i = 0; i < 4; i++) { + r = rows[i]; + for (j = 0; j < 4; j++) { + out[4 * j + i] = r[j]; + } + } + return out; + } + + export function areEqual(a: number[], b: number[], eps: number) { + for (let i = 0; i < 16; i++) { + if (Math.abs(a[i] - b[i]) > eps) { + return false; + } + } + return true; + } + + export function setValue(a: number[], i: number, j: number, value: number) { + a[4 * j + i] = value; + } + + export function copy(out: number[], a: number[]) { + out[0] = a[0]; + out[1] = a[1]; + out[2] = a[2]; + out[3] = a[3]; + out[4] = a[4]; + out[5] = a[5]; + out[6] = a[6]; + out[7] = a[7]; + out[8] = a[8]; + out[9] = a[9]; + out[10] = a[10]; + out[11] = a[11]; + out[12] = a[12]; + out[13] = a[13]; + out[14] = a[14]; + out[15] = a[15]; + return out; + } + + export function clone(a: number[]) { + return Mat4.copy(Mat4.zero(), a); + } + + export function invert(out: number[], a: number[]) { + let a00 = a[0], a01 = a[1], a02 = a[2], a03 = a[3], + a10 = a[4], a11 = a[5], a12 = a[6], a13 = a[7], + a20 = a[8], a21 = a[9], a22 = a[10], a23 = a[11], + a30 = a[12], a31 = a[13], a32 = a[14], a33 = a[15], + + b00 = a00 * a11 - a01 * a10, + b01 = a00 * a12 - a02 * a10, + b02 = a00 * a13 - a03 * a10, + b03 = a01 * a12 - a02 * a11, + b04 = a01 * a13 - a03 * a11, + b05 = a02 * a13 - a03 * a12, + b06 = a20 * a31 - a21 * a30, + b07 = a20 * a32 - a22 * a30, + b08 = a20 * a33 - a23 * a30, + b09 = a21 * a32 - a22 * a31, + b10 = a21 * a33 - a23 * a31, + b11 = a22 * a33 - a23 * a32, + + // Calculate the determinant + det = b00 * b11 - b01 * b10 + b02 * b09 + b03 * b08 - b04 * b07 + b05 * b06; + + if (!det) { + return null; + } + det = 1.0 / det; + + out[0] = (a11 * b11 - a12 * b10 + a13 * b09) * det; + out[1] = (a02 * b10 - a01 * b11 - a03 * b09) * det; + out[2] = (a31 * b05 - a32 * b04 + a33 * b03) * det; + out[3] = (a22 * b04 - a21 * b05 - a23 * b03) * det; + out[4] = (a12 * b08 - a10 * b11 - a13 * b07) * det; + out[5] = (a00 * b11 - a02 * b08 + a03 * b07) * det; + out[6] = (a32 * b02 - a30 * b05 - a33 * b01) * det; + out[7] = (a20 * b05 - a22 * b02 + a23 * b01) * det; + out[8] = (a10 * b10 - a11 * b08 + a13 * b06) * det; + out[9] = (a01 * b08 - a00 * b10 - a03 * b06) * det; + out[10] = (a30 * b04 - a31 * b02 + a33 * b00) * det; + out[11] = (a21 * b02 - a20 * b04 - a23 * b00) * det; + out[12] = (a11 * b07 - a10 * b09 - a12 * b06) * det; + out[13] = (a00 * b09 - a01 * b07 + a02 * b06) * det; + out[14] = (a31 * b01 - a30 * b03 - a32 * b00) * det; + out[15] = (a20 * b03 - a21 * b01 + a22 * b00) * det; + + return out; + } + + export function mul(out: number[], a: number[], b: number[]) { + let a00 = a[0], a01 = a[1], a02 = a[2], a03 = a[3], + a10 = a[4], a11 = a[5], a12 = a[6], a13 = a[7], + a20 = a[8], a21 = a[9], a22 = a[10], a23 = a[11], + a30 = a[12], a31 = a[13], a32 = a[14], a33 = a[15]; + + // Cache only the current line of the second matrix + let b0 = b[0], b1 = b[1], b2 = b[2], b3 = b[3]; + out[0] = b0 * a00 + b1 * a10 + b2 * a20 + b3 * a30; + out[1] = b0 * a01 + b1 * a11 + b2 * a21 + b3 * a31; + out[2] = b0 * a02 + b1 * a12 + b2 * a22 + b3 * a32; + out[3] = b0 * a03 + b1 * a13 + b2 * a23 + b3 * a33; + + b0 = b[4]; b1 = b[5]; b2 = b[6]; b3 = b[7]; + out[4] = b0 * a00 + b1 * a10 + b2 * a20 + b3 * a30; + out[5] = b0 * a01 + b1 * a11 + b2 * a21 + b3 * a31; + out[6] = b0 * a02 + b1 * a12 + b2 * a22 + b3 * a32; + out[7] = b0 * a03 + b1 * a13 + b2 * a23 + b3 * a33; + + b0 = b[8]; b1 = b[9]; b2 = b[10]; b3 = b[11]; + out[8] = b0 * a00 + b1 * a10 + b2 * a20 + b3 * a30; + out[9] = b0 * a01 + b1 * a11 + b2 * a21 + b3 * a31; + out[10] = b0 * a02 + b1 * a12 + b2 * a22 + b3 * a32; + out[11] = b0 * a03 + b1 * a13 + b2 * a23 + b3 * a33; + + b0 = b[12]; b1 = b[13]; b2 = b[14]; b3 = b[15]; + out[12] = b0 * a00 + b1 * a10 + b2 * a20 + b3 * a30; + out[13] = b0 * a01 + b1 * a11 + b2 * a21 + b3 * a31; + out[14] = b0 * a02 + b1 * a12 + b2 * a22 + b3 * a32; + out[15] = b0 * a03 + b1 * a13 + b2 * a23 + b3 * a33; + return out; + } + + export function mul3(out: number[], a: number[], b: number[], c: number[]) { + return mul(out, mul(out, a, b), c); + } + + export function translate(out: number[], a: number[], v: number[]) { + let x = v[0], y = v[1], z = v[2], + a00: number, a01: number, a02: number, a03: number, + a10: number, a11: number, a12: number, a13: number, + a20: number, a21: number, a22: number, a23: number; + + if (a === out) { + out[12] = a[0] * x + a[4] * y + a[8] * z + a[12]; + out[13] = a[1] * x + a[5] * y + a[9] * z + a[13]; + out[14] = a[2] * x + a[6] * y + a[10] * z + a[14]; + out[15] = a[3] * x + a[7] * y + a[11] * z + a[15]; + } else { + a00 = a[0]; a01 = a[1]; a02 = a[2]; a03 = a[3]; + a10 = a[4]; a11 = a[5]; a12 = a[6]; a13 = a[7]; + a20 = a[8]; a21 = a[9]; a22 = a[10]; a23 = a[11]; + + out[0] = a00; out[1] = a01; out[2] = a02; out[3] = a03; + out[4] = a10; out[5] = a11; out[6] = a12; out[7] = a13; + out[8] = a20; out[9] = a21; out[10] = a22; out[11] = a23; + + out[12] = a00 * x + a10 * y + a20 * z + a[12]; + out[13] = a01 * x + a11 * y + a21 * z + a[13]; + out[14] = a02 * x + a12 * y + a22 * z + a[14]; + out[15] = a03 * x + a13 * y + a23 * z + a[15]; + } + + return out; + } + + export function fromTranslation(out: number[], v: number[]) { + out[0] = 1; + out[1] = 0; + out[2] = 0; + out[3] = 0; + out[4] = 0; + out[5] = 1; + out[6] = 0; + out[7] = 0; + out[8] = 0; + out[9] = 0; + out[10] = 1; + out[11] = 0; + out[12] = v[0]; + out[13] = v[1]; + out[14] = v[2]; + out[15] = 1; + return out; + } + + export function rotate(out: number[], a: number[], rad: number, axis: number[]) { + let x = axis[0], y = axis[1], z = axis[2], + len = Math.sqrt(x * x + y * y + z * z), + s, c, t, + a00, a01, a02, a03, + a10, a11, a12, a13, + a20, a21, a22, a23, + b00, b01, b02, + b10, b11, b12, + b20, b21, b22; + + if (Math.abs(len) < EPSILON.Value) { return null; } + + len = 1 / len; + x *= len; + y *= len; + z *= len; + + s = Math.sin(rad); + c = Math.cos(rad); + t = 1 - c; + + a00 = a[0]; a01 = a[1]; a02 = a[2]; a03 = a[3]; + a10 = a[4]; a11 = a[5]; a12 = a[6]; a13 = a[7]; + a20 = a[8]; a21 = a[9]; a22 = a[10]; a23 = a[11]; + + // Construct the elements of the rotation matrix + b00 = x * x * t + c; b01 = y * x * t + z * s; b02 = z * x * t - y * s; + b10 = x * y * t - z * s; b11 = y * y * t + c; b12 = z * y * t + x * s; + b20 = x * z * t + y * s; b21 = y * z * t - x * s; b22 = z * z * t + c; + + // Perform rotation-specific matrix multiplication + out[0] = a00 * b00 + a10 * b01 + a20 * b02; + out[1] = a01 * b00 + a11 * b01 + a21 * b02; + out[2] = a02 * b00 + a12 * b01 + a22 * b02; + out[3] = a03 * b00 + a13 * b01 + a23 * b02; + out[4] = a00 * b10 + a10 * b11 + a20 * b12; + out[5] = a01 * b10 + a11 * b11 + a21 * b12; + out[6] = a02 * b10 + a12 * b11 + a22 * b12; + out[7] = a03 * b10 + a13 * b11 + a23 * b12; + out[8] = a00 * b20 + a10 * b21 + a20 * b22; + out[9] = a01 * b20 + a11 * b21 + a21 * b22; + out[10] = a02 * b20 + a12 * b21 + a22 * b22; + out[11] = a03 * b20 + a13 * b21 + a23 * b22; + + if (a !== out) { // If the source and destination differ, copy the unchanged last row + out[12] = a[12]; + out[13] = a[13]; + out[14] = a[14]; + out[15] = a[15]; + } + return out; + } + + export function fromRotation(out: number[], rad: number, axis: number[]) { + let x = axis[0], y = axis[1], z = axis[2], + len = Math.sqrt(x * x + y * y + z * z), + s, c, t; + + if (Math.abs(len) < EPSILON.Value) { return fromIdentity(out); } + + len = 1 / len; + x *= len; + y *= len; + z *= len; + + s = Math.sin(rad); + c = Math.cos(rad); + t = 1 - c; + + // Perform rotation-specific matrix multiplication + out[0] = x * x * t + c; + out[1] = y * x * t + z * s; + out[2] = z * x * t - y * s; + out[3] = 0; + out[4] = x * y * t - z * s; + out[5] = y * y * t + c; + out[6] = z * y * t + x * s; + out[7] = 0; + out[8] = x * z * t + y * s; + out[9] = y * z * t - x * s; + out[10] = z * z * t + c; + out[11] = 0; + out[12] = 0; + out[13] = 0; + out[14] = 0; + out[15] = 1; + return out; + } + + export function scale(out: number[], a: number[], v: number[]) { + let x = v[0], y = v[1], z = v[2]; + + out[0] = a[0] * x; + out[1] = a[1] * x; + out[2] = a[2] * x; + out[3] = a[3] * x; + out[4] = a[4] * y; + out[5] = a[5] * y; + out[6] = a[6] * y; + out[7] = a[7] * y; + out[8] = a[8] * z; + out[9] = a[9] * z; + out[10] = a[10] * z; + out[11] = a[11] * z; + out[12] = a[12]; + out[13] = a[13]; + out[14] = a[14]; + out[15] = a[15]; + return out; + } + + export function fromScaling(out: number[], v: number[]) { + out[0] = v[0]; + out[1] = 0; + out[2] = 0; + out[3] = 0; + out[4] = 0; + out[5] = v[1]; + out[6] = 0; + out[7] = 0; + out[8] = 0; + out[9] = 0; + out[10] = v[2]; + out[11] = 0; + out[12] = 0; + out[13] = 0; + out[14] = 0; + out[15] = 1; + return out; + } + + export function makeTable(m: number[]) { + let ret = ''; + for (let i = 0; i < 4; i++) { + for (let j = 0; j < 4; j++) { + ret += m[4 * j + i].toString(); + if (j < 3) ret += ' '; + } + if (i < 3) ret += '\n'; + } + return ret; + } + + export function determinant(a: number[]) { + let a00 = a[0], a01 = a[1], a02 = a[2], a03 = a[3], + a10 = a[4], a11 = a[5], a12 = a[6], a13 = a[7], + a20 = a[8], a21 = a[9], a22 = a[10], a23 = a[11], + a30 = a[12], a31 = a[13], a32 = a[14], a33 = a[15], + + b00 = a00 * a11 - a01 * a10, + b01 = a00 * a12 - a02 * a10, + b02 = a00 * a13 - a03 * a10, + b03 = a01 * a12 - a02 * a11, + b04 = a01 * a13 - a03 * a11, + b05 = a02 * a13 - a03 * a12, + b06 = a20 * a31 - a21 * a30, + b07 = a20 * a32 - a22 * a30, + b08 = a20 * a33 - a23 * a30, + b09 = a21 * a32 - a22 * a31, + b10 = a21 * a33 - a23 * a31, + b11 = a22 * a33 - a23 * a32; + + // Calculate the determinant + return b00 * b11 - b01 * b10 + b02 * b09 + b03 * b08 - b04 * b07 + b05 * b06; + } +} + +export function Vec3(x?: number, y?: number, z?: number) { + return Vec3.fromValues(x || 0, y || 0, z || 0); +} + +export namespace Vec3 { + export function zero() { + let out = [0.1, 0.0, 0.0]; + out[0] = 0; + return out; + } + + export function clone(a: number[]) { + let out = zero(); + out[0] = a[0]; + out[1] = a[1]; + out[2] = a[2]; + return out; + } + + export function fromObj(v: { x: number, y: number, z: number }) { + return fromValues(v.x, v.y, v.z); + } + + export function toObj(v: number[]) { + return { x: v[0], y: v[1], z: v[2] }; + } + + export function fromValues(x: number, y: number, z: number) { + let out = zero(); + out[0] = x; + out[1] = y; + out[2] = z; + return out; + } + + export function set(out: number[], x: number, y: number, z: number) { + out[0] = x; + out[1] = y; + out[2] = z; + return out; + } + + export function copy(out: number[], a: number[]) { + out[0] = a[0]; + out[1] = a[1]; + out[2] = a[2]; + return out; + } + + export function add(out: number[], a: number[], b: number[]) { + out[0] = a[0] + b[0]; + out[1] = a[1] + b[1]; + out[2] = a[2] + b[2]; + return out; + } + + export function sub(out: number[], a: number[], b: number[]) { + out[0] = a[0] - b[0]; + out[1] = a[1] - b[1]; + out[2] = a[2] - b[2]; + return out; + } + + export function scale(out: number[], a: number[], b: number) { + out[0] = a[0] * b; + out[1] = a[1] * b; + out[2] = a[2] * b; + return out; + } + + export function scaleAndAdd(out: number[], a: number[], b: number[], scale: number) { + out[0] = a[0] + (b[0] * scale); + out[1] = a[1] + (b[1] * scale); + out[2] = a[2] + (b[2] * scale); + return out; + } + + export function distance(a: number[], b: number[]) { + let x = b[0] - a[0], + y = b[1] - a[1], + z = b[2] - a[2]; + return Math.sqrt(x * x + y * y + z * z); + } + + export function squaredDistance(a: number[], b: number[]) { + let x = b[0] - a[0], + y = b[1] - a[1], + z = b[2] - a[2]; + return x * x + y * y + z * z; + } + + export function magnitude(a: number[]) { + let x = a[0], + y = a[1], + z = a[2]; + return Math.sqrt(x * x + y * y + z * z); + } + + export function squaredMagnitude(a: number[]) { + let x = a[0], + y = a[1], + z = a[2]; + return x * x + y * y + z * z; + } + + export function normalize(out: number[], a: number[]) { + let x = a[0], + y = a[1], + z = a[2]; + let len = x * x + y * y + z * z; + if (len > 0) { + len = 1 / Math.sqrt(len); + out[0] = a[0] * len; + out[1] = a[1] * len; + out[2] = a[2] * len; + } + return out; + } + + export function dot(a: number[], b: number[]) { + return a[0] * b[0] + a[1] * b[1] + a[2] * b[2]; + } + + export function cross(out: number[], a: number[], b: number[]) { + let ax = a[0], ay = a[1], az = a[2], + bx = b[0], by = b[1], bz = b[2]; + + out[0] = ay * bz - az * by; + out[1] = az * bx - ax * bz; + out[2] = ax * by - ay * bx; + return out; + } + + export function lerp(out: number[], a: number[], b: number[], t: number) { + let ax = a[0], + ay = a[1], + az = a[2]; + out[0] = ax + t * (b[0] - ax); + out[1] = ay + t * (b[1] - ay); + out[2] = az + t * (b[2] - az); + return out; + } + + export function transformMat4(out: number[], a: number[], m: number[]) { + let x = a[0], y = a[1], z = a[2], + w = m[3] * x + m[7] * y + m[11] * z + m[15]; + w = w || 1.0; + out[0] = (m[0] * x + m[4] * y + m[8] * z + m[12]) / w; + out[1] = (m[1] * x + m[5] * y + m[9] * z + m[13]) / w; + out[2] = (m[2] * x + m[6] * y + m[10] * z + m[14]) / w; + return out; + } + + const angleTempA = zero(), angleTempB = zero(); + export function angle(a: number[], b: number[]) { + copy(angleTempA, a); + copy(angleTempB, b); + + normalize(angleTempA, angleTempA); + normalize(angleTempB, angleTempB); + + let cosine = dot(angleTempA, angleTempB); + + if (cosine > 1.0) { + return 0; + } + else if (cosine < -1.0) { + return Math.PI; + } else { + return Math.acos(cosine); + } + } + + const rotTemp = zero(); + export function makeRotation(mat: Mat4, a: Vec3, b: Vec3): Mat4 { + const by = angle(a, b); + if (Math.abs(by) < 0.0001) return Mat4.fromIdentity(mat); + const axis = cross(rotTemp, a, b); + return Mat4.fromRotation(mat, by, axis); + } +} + +export function Vec4(x?: number, y?: number, z?: number, w?: number) { + return Vec4.fromValues(x || 0, y || 0, z || 0, w || 0); +} + +export namespace Vec4 { + export function zero(): number[] { + // force double backing array by 0.1. + const ret = [0.1, 0, 0, 0]; + ret[0] = 0.0; + return ret; + } + + export function clone(a: number[]) { + let out = zero(); + out[0] = a[0]; + out[1] = a[1]; + out[2] = a[2]; + out[3] = a[3]; + return out; + } + + export function fromValues(x: number, y: number, z: number, w: number) { + let out = zero(); + out[0] = x; + out[1] = y; + out[2] = z; + out[3] = w; + return out; + } + + export function set(out: number[], x: number, y: number, z: number, w: number) { + out[0] = x; + out[1] = y; + out[2] = z; + out[3] = w; + return out; + } + + export function distance(a: number[], b: number[]) { + let x = b[0] - a[0], + y = b[1] - a[1], + z = b[2] - a[2], + w = b[3] - a[3]; + return Math.sqrt(x * x + y * y + z * z + w * w); + } + + export function squaredDistance(a: number[], b: number[]) { + let x = b[0] - a[0], + y = b[1] - a[1], + z = b[2] - a[2], + w = b[3] - a[3]; + return x * x + y * y + z * z + w * w; + } + + export function norm(a: number[]) { + let x = a[0], + y = a[1], + z = a[2], + w = a[3]; + return Math.sqrt(x * x + y * y + z * z + w * w); + } + + export function squaredNorm(a: number[]) { + let x = a[0], + y = a[1], + z = a[2], + w = a[3]; + return x * x + y * y + z * z + w * w; + } + + export function transform(out: number[], a: number[], m: number[]) { + let x = a[0], y = a[1], z = a[2], w = a[3]; + out[0] = m[0] * x + m[4] * y + m[8] * z + m[12] * w; + out[1] = m[1] * x + m[5] * y + m[9] * z + m[13] * w; + out[2] = m[2] * x + m[6] * y + m[10] * z + m[14] * w; + out[3] = m[3] * x + m[7] * y + m[11] * z + m[15] * w; + return out; + } +} \ No newline at end of file