diff --git a/CHANGELOG.md b/CHANGELOG.md index e0c9b663e1a7e1914a30bdfb326e5ba7adfaa24d..09efd6e9e1ff454dfaba15877d94a07fafcbb44c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,6 +6,7 @@ Note that since we don't clearly distinguish between a public and private interf ## [Unreleased] +- Add principal axes spec and fix edge cases - Add a uniform color theme for NtC tube that still paints residue and segment dividers in a different color - Mesh exporter improvements - Support points & lines in glTF export diff --git a/src/mol-math/linear-algebra/3d/vec3.ts b/src/mol-math/linear-algebra/3d/vec3.ts index d39cbba843d79881eea6e8151cee67217e1cd040..294fd5a9c354ed19d3245d0e33ad81c1490ac0e5 100644 --- a/src/mol-math/linear-algebra/3d/vec3.ts +++ b/src/mol-math/linear-algebra/3d/vec3.ts @@ -1,5 +1,5 @@ /** - * Copyright (c) 2017-2022 mol* contributors, licensed under MIT, See LICENSE file for more info. + * Copyright (c) 2017-2023 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author David Sehnal <david.sehnal@gmail.com> * @author Alexander Rose <alexander.rose@weirdbyte.de> @@ -24,6 +24,8 @@ import { Mat3 } from './mat3'; import { Quat } from './quat'; import { EPSILON } from './common'; +const _isFinite = isFinite; + export { ReadonlyVec3 }; interface Vec3 extends Array<number> { [d: number]: number, '@type': 'vec3', length: 3 } @@ -48,6 +50,10 @@ namespace Vec3 { return out; } + export function isFinite(a: Vec3): boolean { + return _isFinite(a[0]) && _isFinite(a[1]) && _isFinite(a[2]); + } + export function hasNaN(a: Vec3) { return isNaN(a[0]) || isNaN(a[1]) || isNaN(a[2]); } @@ -636,4 +642,4 @@ namespace Vec3 { export const negUnitZ: ReadonlyVec3 = create(0, 0, -1); } -export { Vec3 }; \ No newline at end of file +export { Vec3 }; diff --git a/src/mol-math/linear-algebra/_spec/principal-axes.spec.ts b/src/mol-math/linear-algebra/_spec/principal-axes.spec.ts new file mode 100644 index 0000000000000000000000000000000000000000..6a866bd483f68ea05edab08d0584d99425078d3a --- /dev/null +++ b/src/mol-math/linear-algebra/_spec/principal-axes.spec.ts @@ -0,0 +1,19 @@ +/** + * Copyright (c) 2023 mol* contributors, licensed under MIT, See LICENSE file for more info. + * + * @author Gianluca Tomasello <giagitom@gmail.com> + */ + +import { NumberArray } from '../../../mol-util/type-helpers'; +import { PrincipalAxes } from '../matrix/principal-axes'; + +describe('PrincipalAxes', () => { + it('same-cartesian-plane', () => { + const positions: NumberArray = [ // same y coordinate + 0.1945, -0.0219, -0.0416, + -0.0219, -0.0219, -0.0119, + ]; + const { origin } = PrincipalAxes.ofPositions(positions).boxAxes; + expect(origin[0] !== Infinity && origin[1] !== Infinity && origin[2] !== Infinity).toBe(true); + }); +}); diff --git a/src/mol-math/linear-algebra/matrix/principal-axes.ts b/src/mol-math/linear-algebra/matrix/principal-axes.ts index 90091e1e123a20a112fb2439edf4ef1f9982e163..79fcc46f05bf57369d1951e727183ed15ff1fed9 100644 --- a/src/mol-math/linear-algebra/matrix/principal-axes.ts +++ b/src/mol-math/linear-algebra/matrix/principal-axes.ts @@ -1,7 +1,8 @@ /** - * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info. + * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> + * @author Gianluca Tomasello <giagitom@gmail.com> */ import { Matrix } from './matrix'; @@ -123,12 +124,17 @@ namespace PrincipalAxes { const dirB = Vec3.setMagnitude(Vec3(), a.dirB, (d2a + d2b) / 2); const dirC = Vec3.setMagnitude(Vec3(), a.dirC, (d3a + d3b) / 2); + const okDirA = Vec3.isFinite(dirA); + const okDirB = Vec3.isFinite(dirB); + const okDirC = Vec3.isFinite(dirC); + const origin = Vec3(); const addCornerHelper = function (d1: number, d2: number, d3: number) { Vec3.copy(tmpBoxVec, center); - Vec3.scaleAndAdd(tmpBoxVec, tmpBoxVec, a.dirA, d1); - Vec3.scaleAndAdd(tmpBoxVec, tmpBoxVec, a.dirB, d2); - Vec3.scaleAndAdd(tmpBoxVec, tmpBoxVec, a.dirC, d3); + + if (okDirA) Vec3.scaleAndAdd(tmpBoxVec, tmpBoxVec, a.dirA, d1); + if (okDirB) Vec3.scaleAndAdd(tmpBoxVec, tmpBoxVec, a.dirB, d2); + if (okDirC) Vec3.scaleAndAdd(tmpBoxVec, tmpBoxVec, a.dirC, d3); Vec3.add(origin, origin, tmpBoxVec); }; addCornerHelper(d1a, d2a, d3a);