Merge branch 'master' into euler

CHANGELOG.md

@@ -9,6 +9,7 @@ Note that since we don't clearly distinguish between a public and private interf
 - Fix display issue with SIFTS mapping
 - Properly switch-off fog
 - Add `Euler` math primitive
+- Add stride option to element sphere & point visuals
 
 ## [v3.37.1] - 2023-06-20
 

src/mol-repr/structure/visual/element-point.ts

@@ -1,5 +1,5 @@
 /**
- * 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>
  */
@@ -25,6 +25,7 @@ export const ElementPointParams = {
     ignoreHydrogens: PD.Boolean(false),
     ignoreHydrogensVariant: PD.Select('all', PD.arrayToOptions(['all', 'non-polar'] as const)),
     traceOnly: PD.Boolean(false),
+    stride: PD.Numeric(1, { min: 1, max: 100, step: 1 }),
 };
 export type ElementPointParams = typeof ElementPointParams
 
@@ -91,7 +92,8 @@ export function ElementPointVisual(materialId: number): UnitsVisual<ElementPoint
             state.createGeometry = (
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 newProps.ignoreHydrogensVariant !== currentProps.ignoreHydrogensVariant ||
-                newProps.traceOnly !== currentProps.traceOnly
+                newProps.traceOnly !== currentProps.traceOnly ||
+                newProps.stride !== currentProps.stride
             );
         }
     }, materialId);

src/mol-repr/structure/visual/element-sphere.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2021 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 David Sehnal <david.sehnal@gmail.com>
@@ -23,6 +23,7 @@ export const ElementSphereParams = {
     ignoreHydrogensVariant: PD.Select('all', PD.arrayToOptions(['all', 'non-polar'] as const)),
     traceOnly: PD.Boolean(false),
     tryUseImpostor: PD.Boolean(true),
+    stride: PD.Numeric(1, { min: 1, max: 100, step: 1 }),
 };
 export type ElementSphereParams = typeof ElementSphereParams
 
@@ -43,7 +44,8 @@ export function ElementSphereImpostorVisual(materialId: number): UnitsVisual<Ele
             state.createGeometry = (
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 newProps.ignoreHydrogensVariant !== currentProps.ignoreHydrogensVariant ||
-                newProps.traceOnly !== currentProps.traceOnly
+                newProps.traceOnly !== currentProps.traceOnly ||
+                newProps.stride !== currentProps.stride
             );
         },
         mustRecreate: (structureGroup: StructureGroup, props: PD.Values<ElementSphereParams>, webgl?: WebGLContext) => {
@@ -65,7 +67,8 @@ export function ElementSphereMeshVisual(materialId: number): UnitsVisual<Element
                 newProps.detail !== currentProps.detail ||
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 newProps.ignoreHydrogensVariant !== currentProps.ignoreHydrogensVariant ||
-                newProps.traceOnly !== currentProps.traceOnly
+                newProps.traceOnly !== currentProps.traceOnly ||
+                newProps.stride !== currentProps.stride
             );
         },
         mustRecreate: (structureGroup: StructureGroup, props: PD.Values<ElementSphereParams>, webgl?: WebGLContext) => {

src/mol-repr/structure/visual/util/element.ts

@@ -29,6 +29,7 @@ type ElementProps = {
     ignoreHydrogens: boolean,
     ignoreHydrogensVariant: 'all' | 'non-polar',
     traceOnly: boolean,
+    stride?: number
 }
 
 export type ElementSphereMeshProps = {
@@ -61,7 +62,7 @@ export function createElementSphereMesh(ctx: VisualContext, unit: Unit, structur
     const childUnit = child?.unitMap.get(unit.id);
     if (child && !childUnit) return Mesh.createEmpty(mesh);
 
-    const { detail, sizeFactor } = props;
+    const { detail, sizeFactor, stride } = props;
 
     const { elements } = unit;
     const elementCount = elements.length;
@@ -78,6 +79,7 @@ export function createElementSphereMesh(ctx: VisualContext, unit: Unit, structur
     let count = 0;
 
     for (let i = 0; i < elementCount; i++) {
+        if (stride && i % stride !== 0) continue;
         if (ignore && ignore(elements[i])) continue;
 
         pos(elements[i], v);
@@ -118,6 +120,8 @@ export function createElementSphereImpostor(ctx: VisualContext, unit: Unit, stru
     const childUnit = child?.unitMap.get(unit.id);
     if (child && !childUnit) return Spheres.createEmpty(spheres);
 
+    const { sizeFactor, stride } = props;
+
     const { elements } = unit;
     const elementCount = elements.length;
     const builder = SpheresBuilder.create(elementCount, elementCount / 2, spheres);
@@ -132,8 +136,9 @@ export function createElementSphereImpostor(ctx: VisualContext, unit: Unit, stru
     let maxSize = 0;
     let count = 0;
 
-    if (ignore || theme.size.granularity !== 'uniform') {
+    if ((stride && stride > 1) || ignore || theme.size.granularity !== 'uniform') {
         for (let i = 0; i < elementCount; i++) {
+            if (stride && i % stride !== 0) continue;
             if (ignore && ignore(elements[i])) continue;
 
             pos(elements[i], v);
@@ -165,7 +170,7 @@ export function createElementSphereImpostor(ctx: VisualContext, unit: Unit, stru
     if (oldBoundingSphere && Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
         boundingSphere = oldBoundingSphere;
     } else {
-        boundingSphere = Sphere3D.expand(Sphere3D(), (childUnit ?? unit).boundary.sphere, maxSize * props.sizeFactor + 0.05);
+        boundingSphere = Sphere3D.expand(Sphere3D(), (childUnit ?? unit).boundary.sphere, maxSize * sizeFactor + 0.05);
     }
     s.setBoundingSphere(boundingSphere);