diff --git a/src/mol-math/geometry/primitives/box3d.ts b/src/mol-math/geometry/primitives/box3d.ts
index 83c352cb5c64a908ef2b98997b9e28946e73c9ca..e333a74e56db76a6b3afee3d34dbf44f2202293e 100644
--- a/src/mol-math/geometry/primitives/box3d.ts
+++ b/src/mol-math/geometry/primitives/box3d.ts
@@ -11,9 +11,13 @@ import { OrderedSet } from 'mol-data/int';
interface Box3D { min: Vec3, max: Vec3 }
+function Box3D() {
+ return Box3D.empty();
+}
+
namespace Box3D {
export function create(min: Vec3, max: Vec3): Box3D { return { min, max }; }
- export function empty(): Box3D { return { min: Vec3.zero(), max: Vec3.zero() }; }
+ export function empty(): Box3D { return { min: Vec3(), max: Vec3() }; }
export function clone(a: Box3D): Box3D {
const out = empty();
@@ -44,7 +48,7 @@ namespace Box3D {
return Vec3.sub(size, box.max, box.min);
}
- const tmpSizeV = Vec3.zero()
+ const tmpSizeV = Vec3()
/** Get size of the box */
export function volume(box: Box3D): number {
size(tmpSizeV, box)
@@ -71,7 +75,7 @@ namespace Box3D {
return out
}
- const tmpTransformV = Vec3.zero()
+ const tmpTransformV = Vec3()
/** Transform box with a Mat4 */
export function transform(out: Box3D, box: Box3D, m: Mat4): Box3D {
const [ minX, minY, minZ ] = box.min
diff --git a/src/mol-math/geometry/primitives/sphere3d.ts b/src/mol-math/geometry/primitives/sphere3d.ts
index 3bc41681d9375a53cf3725a212a9b29d8393fe33..9df2560a973962dc4aa8d74c8ec994b041102260 100644
--- a/src/mol-math/geometry/primitives/sphere3d.ts
+++ b/src/mol-math/geometry/primitives/sphere3d.ts
@@ -13,6 +13,10 @@ import { Box3D } from './box3d';
interface Sphere3D { center: Vec3, radius: number }
+function Sphere3D() {
+ return Sphere3D.zero();
+}
+
namespace Sphere3D {
export function create(center: Vec3, radius: number): Sphere3D { return { center, radius }; }
export function zero(): Sphere3D { return { center: Vec3.zero(), radius: 0 }; }
@@ -83,7 +87,7 @@ namespace Sphere3D {
return out
}
- const tmpAddVec3 = Vec3.zero()
+ const tmpAddVec3 = Vec3()
export function addVec3(out: Sphere3D, s: Sphere3D, v: Vec3) {
const d = Vec3.distance(s.center, v)
if (d < s.radius) return Sphere3D.copy(out, s)
diff --git a/src/mol-math/linear-algebra/3d/mat3.ts b/src/mol-math/linear-algebra/3d/mat3.ts
index a646193d7d6ecc7403bde52b2ec097610169e964..a7bb2cfdb84a55208b2292e2751a11d03484f297 100644
--- a/src/mol-math/linear-algebra/3d/mat3.ts
+++ b/src/mol-math/linear-algebra/3d/mat3.ts
@@ -22,6 +22,10 @@ import { NumberArray } from 'mol-util/type-helpers';
interface Mat3 extends Array<number> { [d: number]: number, '@type': 'mat3', length: 9 }
+function Mat3() {
+ return Mat3.zero();
+}
+
namespace Mat3 {
export function zero(): Mat3 {
// force double backing array by 0.1.
diff --git a/src/mol-math/linear-algebra/3d/mat4.ts b/src/mol-math/linear-algebra/3d/mat4.ts
index c8a307e8de9a57ab893dab678ce1bff9d1203076..2bc177fab268d0ba36614a7811ef140ef8a4cdc3 100644
--- a/src/mol-math/linear-algebra/3d/mat4.ts
+++ b/src/mol-math/linear-algebra/3d/mat4.ts
@@ -1009,28 +1009,32 @@ namespace Mat4 {
return Math.sqrt(Math.max(scaleXSq, scaleYSq, scaleZSq))
}
+ const xAxis = Vec3.create(1, 0, 0)
+ const yAxis = Vec3.create(1, 0, 0)
+ const zAxis = Vec3.create(1, 0, 0)
+
/** Rotation matrix for 90deg around x-axis */
- export const rotX90: ReadonlyMat4 = Mat4.fromRotation(Mat4.identity(), degToRad(90), Vec3.create(1, 0, 0))
+ export const rotX90: ReadonlyMat4 = Mat4.fromRotation(Mat4(), degToRad(90), xAxis)
/** Rotation matrix for 180deg around x-axis */
- export const rotX180: ReadonlyMat4 = Mat4.fromRotation(Mat4.identity(), degToRad(180), Vec3.create(1, 0, 0))
+ export const rotX180: ReadonlyMat4 = Mat4.fromRotation(Mat4(), degToRad(180), xAxis)
/** Rotation matrix for 90deg around y-axis */
- export const rotY90: ReadonlyMat4 = Mat4.fromRotation(Mat4.identity(), degToRad(90), Vec3.create(0, 1, 0))
+ export const rotY90: ReadonlyMat4 = Mat4.fromRotation(Mat4(), degToRad(90), yAxis)
/** Rotation matrix for 180deg around y-axis */
- export const rotY180: ReadonlyMat4 = Mat4.fromRotation(Mat4.identity(), degToRad(180), Vec3.create(0, 1, 0))
+ export const rotY180: ReadonlyMat4 = Mat4.fromRotation(Mat4(), degToRad(180), yAxis)
/** Rotation matrix for 90deg around z-axis */
- export const rotZ90: ReadonlyMat4 = Mat4.fromRotation(Mat4.identity(), degToRad(90), Vec3.create(0, 0, 1))
+ export const rotZ90: ReadonlyMat4 = Mat4.fromRotation(Mat4(), degToRad(90), zAxis)
/** Rotation matrix for 180deg around z-axis */
- export const rotZ180: ReadonlyMat4 = Mat4.fromRotation(Mat4.identity(), degToRad(180), Vec3.create(0, 0, 1))
+ export const rotZ180: ReadonlyMat4 = Mat4.fromRotation(Mat4(), degToRad(180), zAxis)
/** Rotation matrix for 90deg around first x-axis and then y-axis */
- export const rotXY90: ReadonlyMat4 = Mat4.mul(Mat4.identity(), rotX90, rotY90)
+ export const rotXY90: ReadonlyMat4 = Mat4.mul(Mat4(), rotX90, rotY90)
/** Rotation matrix for 90deg around first z-axis and then y-axis */
- export const rotZY90: ReadonlyMat4 = Mat4.mul(Mat4.identity(), rotZ90, rotY90)
+ export const rotZY90: ReadonlyMat4 = Mat4.mul(Mat4(), rotZ90, rotY90)
/** Rotation matrix for 90deg around first z-axis and then y-axis and then z-axis */
- export const rotZYZ90: ReadonlyMat4 = Mat4.mul(Mat4.identity(), rotZY90, rotZ90)
+ export const rotZYZ90: ReadonlyMat4 = Mat4.mul(Mat4(), rotZY90, rotZ90)
/** Rotation matrix for 90deg around first z-axis and then 180deg around x-axis */
- export const rotZ90X180: ReadonlyMat4 = Mat4.mul(Mat4.identity(), rotZ90, rotX180)
+ export const rotZ90X180: ReadonlyMat4 = Mat4.mul(Mat4(), rotZ90, rotX180)
/** Rotation matrix for 90deg around first y-axis and then 180deg around z-axis */
- export const rotY90Z180: ReadonlyMat4 = Mat4.mul(Mat4.identity(), rotY90, rotZ180)
+ export const rotY90Z180: ReadonlyMat4 = Mat4.mul(Mat4(), rotY90, rotZ180)
}
export default Mat4
\ No newline at end of file
diff --git a/src/mol-math/linear-algebra/3d/quat.ts b/src/mol-math/linear-algebra/3d/quat.ts
index 59e68c88bd5fe70b02d7e19bbc4cac22ed614956..abbe498e2a93943273156d6f2142143783553921 100644
--- a/src/mol-math/linear-algebra/3d/quat.ts
+++ b/src/mol-math/linear-algebra/3d/quat.ts
@@ -276,7 +276,7 @@ namespace Quat {
return out;
}
- const fromUnitVec3Temp = Vec3.zero()
+ const fromUnitVec3Temp = Vec3()
/** Quaternion from two normalized unit vectors. */
export function fromUnitVec3 (out: Quat, a: Vec3, b: Vec3) {
// assumes a and b are normalized
@@ -374,7 +374,7 @@ namespace Quat {
*
* Both vectors are assumed to be unit length.
*/
- const rotTmpVec3 = Vec3.zero();
+ const rotTmpVec3 = Vec3();
const rotTmpVec3UnitX = Vec3.create(1, 0, 0);
const rotTmpVec3UnitY = Vec3.create(0, 1, 0);
export function rotationTo(out: Quat, a: Vec3, b: Vec3) {
@@ -405,8 +405,8 @@ namespace Quat {
/**
* Performs a spherical linear interpolation with two control points
*/
- let sqlerpTemp1 = Quat.zero();
- let sqlerpTemp2 = Quat.zero();
+ let sqlerpTemp1 = Quat();
+ let sqlerpTemp2 = Quat();
export function sqlerp(out: Quat, a: Quat, b: Quat, c: Quat, d: Quat, t: number) {
slerp(sqlerpTemp1, a, d, t);
slerp(sqlerpTemp2, b, c, t);
@@ -419,7 +419,7 @@ namespace Quat {
* axes. Each axis is a vec3 and is expected to be unit length and
* perpendicular to all other specified axes.
*/
- const axesTmpMat = Mat3.zero();
+ const axesTmpMat = Mat3();
export function setAxes(out: Quat, view: Vec3, right: Vec3, up: Vec3) {
axesTmpMat[0] = right[0];
axesTmpMat[3] = right[1];
diff --git a/src/mol-math/linear-algebra/3d/vec2.ts b/src/mol-math/linear-algebra/3d/vec2.ts
index be7b7cdf93b52dac9b90fca247f42f75485fd383..65a32c3ff61149bd8a9c3e606ee67ab3c3e1b5b3 100644
--- a/src/mol-math/linear-algebra/3d/vec2.ts
+++ b/src/mol-math/linear-algebra/3d/vec2.ts
@@ -20,6 +20,10 @@ import { NumberArray } from 'mol-util/type-helpers';
interface Vec2 extends Array<number> { [d: number]: number, '@type': 'vec2', length: 2 }
+function Vec2() {
+ return Vec2.zero();
+}
+
namespace Vec2 {
export function zero(): Vec2 {
// force double backing array by 0.1.
diff --git a/src/mol-math/linear-algebra/3d/vec3.ts b/src/mol-math/linear-algebra/3d/vec3.ts
index bb16cc3530375060824f061d2a8176b4112b2325..13b3053b7edec17ba8bfd239d6b48bcd61f16c5c 100644
--- a/src/mol-math/linear-algebra/3d/vec3.ts
+++ b/src/mol-math/linear-algebra/3d/vec3.ts
@@ -24,6 +24,10 @@ import { NumberArray } from 'mol-util/type-helpers';
interface Vec3 extends Array<number> { [d: number]: number, '@type': 'vec3', length: 3 }
+function Vec3() {
+ return Vec3.zero();
+}
+
namespace Vec3 {
export function zero(): Vec3 {
const out = [0.1, 0.0, 0.0];
@@ -434,26 +438,28 @@ namespace Vec3 {
}
}
- const tmp_dh_ab = Vec3.zero();
- const tmp_dh_cb = Vec3.zero();
- const tmp_dh_bc = Vec3.zero();
- const tmp_dh_dc = Vec3.zero();
- const tmp_dh_abc = Vec3.zero();
- const tmp_dh_bcd = Vec3.zero();
- const tmp_dh_cross = Vec3.zero();
- /** Computes the dihedral angles of 4 related atoms. phi: C, N+1, CA+1, C+1 - psi: N, CA, C, N+1 - omega: CA, C, N+1, CA+1 */
- export function dihedralAngle(a: Vec3, b: Vec3, c: Vec3, d: Vec3) {
- Vec3.sub(tmp_dh_ab, a, b);
- Vec3.sub(tmp_dh_cb, c, b);
- Vec3.sub(tmp_dh_bc, b, c);
- Vec3.sub(tmp_dh_dc, d, c);
-
- Vec3.cross(tmp_dh_abc, tmp_dh_ab, tmp_dh_cb);
- Vec3.cross(tmp_dh_bcd, tmp_dh_bc, tmp_dh_dc);
-
- const angle = Vec3.angle(tmp_dh_abc, tmp_dh_bcd) * 360.0 / (2 * Math.PI);
- Vec3.cross(tmp_dh_cross, tmp_dh_abc, tmp_dh_bcd);
- return Vec3.dot(tmp_dh_cb, tmp_dh_cross) > 0 ? angle : -angle;
+ const tmp_dh_ab = zero();
+ const tmp_dh_cb = zero();
+ const tmp_dh_bc = zero();
+ const tmp_dh_dc = zero();
+ const tmp_dh_abc = zero();
+ const tmp_dh_bcd = zero();
+ const tmp_dh_cross = zero();
+ /**
+ * Computes the dihedral angles of 4 points.
+ */
+ export function dihedralAngle(a: Vec3, b: Vec3, c: Vec3, d: Vec3): number {
+ sub(tmp_dh_ab, a, b);
+ sub(tmp_dh_cb, c, b);
+ sub(tmp_dh_bc, b, c);
+ sub(tmp_dh_dc, d, c);
+
+ cross(tmp_dh_abc, tmp_dh_ab, tmp_dh_cb);
+ cross(tmp_dh_bcd, tmp_dh_bc, tmp_dh_dc);
+
+ const _angle = angle(tmp_dh_abc, tmp_dh_bcd) * 360.0 / (2 * Math.PI);
+ cross(tmp_dh_cross, tmp_dh_abc, tmp_dh_bcd);
+ return dot(tmp_dh_cb, tmp_dh_cross) > 0 ? _angle : -_angle;
}
/**
diff --git a/src/mol-math/linear-algebra/3d/vec4.ts b/src/mol-math/linear-algebra/3d/vec4.ts
index c7c4e3380250572a684ce87ce4bdbd90ee8d19df..35346760ee95d740d18a346211f7a2d1920919d7 100644
--- a/src/mol-math/linear-algebra/3d/vec4.ts
+++ b/src/mol-math/linear-algebra/3d/vec4.ts
@@ -23,6 +23,10 @@ import { NumberArray } from 'mol-util/type-helpers';
interface Vec4 extends Array<number> { [d: number]: number, '@type': 'vec4', length: 4 }
+function Vec4() {
+ return Vec4.zero();
+}
+
namespace Vec4 {
export function zero(): Vec4 {
// force double backing array by 0.1.