fix point repr & shader

CHANGELOG.md

@@ -9,6 +9,11 @@ Note that since we don't clearly distinguish between a public and private interf
 - Add Charmm saccharide names
 - Treat missing occupancy column as occupany of 1
 - Fix line shader not accounting for aspect ratio
+- [Breaking] Fix point repr & shader
+    - Was unusable with ``wboit``
+    - Replaced ``pointFilledCircle`` & ``pointEdgeBleach`` params by ``pointStyle`` (square, circle, fuzzy)
+    - Set ``pointSizeAttenuation`` to false by default
+    - Set ``sizeTheme`` to ``uniform`` by default
 
 ## [v2.3.0] - 2021-09-06
 

src/mol-geo/geometry/points/points.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -117,12 +117,19 @@ export namespace Points {
 
     //
 
+    export const StyleTypes = {
+        'square': 'Square',
+        'circle': 'Circle',
+        'fuzzy': 'Fuzzy',
+    };
+    export type StyleTypes = keyof typeof StyleTypes;
+    export const StyleTypeNames = Object.keys(StyleTypes) as StyleTypes[];
+
     export const Params = {
         ...BaseGeometry.Params,
         sizeFactor: PD.Numeric(1.5, { min: 0, max: 10, step: 0.1 }),
         pointSizeAttenuation: PD.Boolean(false),
-        pointFilledCircle: PD.Boolean(false),
-        pointEdgeBleach: PD.Numeric(0.2, { min: 0, max: 1, step: 0.05 }),
+        pointStyle: PD.Select('square', PD.objectToOptions(StyleTypes)),
     };
     export type Params = typeof Params
 
@@ -189,8 +196,7 @@ export namespace Points {
             ...BaseGeometry.createValues(props, counts),
             uSizeFactor: ValueCell.create(props.sizeFactor),
             dPointSizeAttenuation: ValueCell.create(props.pointSizeAttenuation),
-            dPointFilledCircle: ValueCell.create(props.pointFilledCircle),
-            uPointEdgeBleach: ValueCell.create(props.pointEdgeBleach),
+            dPointStyle: ValueCell.create(props.pointStyle),
         };
     }
 
@@ -204,8 +210,7 @@ export namespace Points {
         BaseGeometry.updateValues(values, props);
         ValueCell.updateIfChanged(values.uSizeFactor, props.sizeFactor);
         ValueCell.updateIfChanged(values.dPointSizeAttenuation, props.pointSizeAttenuation);
-        ValueCell.updateIfChanged(values.dPointFilledCircle, props.pointFilledCircle);
-        ValueCell.updateIfChanged(values.uPointEdgeBleach, props.pointEdgeBleach);
+        ValueCell.updateIfChanged(values.dPointStyle, props.pointStyle);
     }
 
     function updateBoundingSphere(values: PointsValues, points: Points) {
@@ -229,10 +234,7 @@ export namespace Points {
 
     function updateRenderableState(state: RenderableState, props: PD.Values<Params>) {
         BaseGeometry.updateRenderableState(state, props);
-        state.opaque = state.opaque && (
-            !props.pointFilledCircle ||
-            (props.pointFilledCircle && props.pointEdgeBleach === 0)
-        );
+        state.opaque = state.opaque && props.pointStyle !== 'fuzzy';
         state.writeDepth = state.opaque;
     }
 }

src/mol-gl/_spec/renderer.spec.ts

@@ -85,8 +85,7 @@ function createPoints() {
 
         uSizeFactor: ValueCell.create(1),
         dPointSizeAttenuation: ValueCell.create(true),
-        dPointFilledCircle: ValueCell.create(false),
-        uPointEdgeBleach: ValueCell.create(0.5),
+        dPointStyle: ValueCell.create('square'),
     };
     const state: RenderableState = {
         disposed: false,

src/mol-gl/renderable/points.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -7,9 +7,10 @@
 import { Renderable, RenderableState, createRenderable } from '../renderable';
 import { WebGLContext } from '../webgl/context';
 import { createGraphicsRenderItem } from '../webgl/render-item';
-import { GlobalUniformSchema, BaseSchema, AttributeSpec, UniformSpec, DefineSpec, Values, InternalSchema, SizeSchema, InternalValues, GlobalTextureSchema } from './schema';
+import { GlobalUniformSchema, BaseSchema, AttributeSpec, DefineSpec, Values, InternalSchema, SizeSchema, InternalValues, GlobalTextureSchema } from './schema';
 import { PointsShaderCode } from '../shader-code';
 import { ValueCell } from '../../mol-util';
+import { Points } from '../../mol-geo/geometry/points/points';
 
 export const PointsSchema = {
     ...BaseSchema,
@@ -17,8 +18,7 @@ export const PointsSchema = {
     aGroup: AttributeSpec('float32', 1, 0),
     aPosition: AttributeSpec('float32', 3, 0),
     dPointSizeAttenuation: DefineSpec('boolean'),
-    dPointFilledCircle: DefineSpec('boolean'),
-    uPointEdgeBleach: UniformSpec('f'),
+    dPointStyle: DefineSpec('string', Points.StyleTypeNames),
 };
 export type PointsSchema = typeof PointsSchema
 export type PointsValues = Values<PointsSchema>

src/mol-gl/renderer.ts

@@ -570,7 +570,7 @@ namespace Renderer {
                 // TODO: simplify, handle in renderable.state???
                 // uAlpha is updated in "render" so we need to recompute it here
                 const alpha = clamp(r.values.alpha.ref.value * r.state.alphaFactor, 0, 1);
-                if (alpha === 1 && r.values.transparencyAverage.ref.value !== 1 && r.values.dRenderMode?.ref.value !== 'volume' && !r.values.dPointFilledCircle?.ref.value && !r.values.dXrayShaded?.ref.value) {
+                if (alpha === 1 && r.values.transparencyAverage.ref.value !== 1 && r.values.dRenderMode?.ref.value !== 'volume' && r.values.dPointStyle?.ref.value !== 'fuzzy' && !r.values.dXrayShaded?.ref.value) {
                     renderObject(r, 'colorWboit');
                 }
             }
@@ -586,7 +586,7 @@ namespace Renderer {
                 // TODO: simplify, handle in renderable.state???
                 // uAlpha is updated in "render" so we need to recompute it here
                 const alpha = clamp(r.values.alpha.ref.value * r.state.alphaFactor, 0, 1);
-                if (alpha < 1 || r.values.transparencyAverage.ref.value > 0 || r.values.dRenderMode?.ref.value === 'volume' || r.values.dPointFilledCircle?.ref.value || !!r.values.uBackgroundColor || r.values.dXrayShaded?.ref.value) {
+                if (alpha < 1 || r.values.transparencyAverage.ref.value > 0 || r.values.dRenderMode?.ref.value === 'volume' || r.values.dPointStyle?.ref.value === 'fuzzy' || !!r.values.uBackgroundColor || r.values.dXrayShaded?.ref.value) {
                     renderObject(r, 'colorWboit');
                 }
             }

src/mol-gl/shader/points.frag.ts

@@ -13,10 +13,6 @@ precision highp int;
 #include color_frag_params
 #include common_clip
 
-#ifdef dPointFilledCircle
-    uniform float uPointEdgeBleach;
-#endif
-
 const vec2 center = vec2(0.5);
 const float radius = 0.5;
 
@@ -27,6 +23,15 @@ void main(){
     bool interior = false;
     #include assign_material_color
 
+    #if defined(dPointStyle_circle)
+        float dist = distance(gl_PointCoord, center);
+        if (dist > radius) discard;
+    #elif defined(dPointStyle_fuzzy)
+        float dist = distance(gl_PointCoord, center);
+        float fuzzyAlpha = 1.0 - smoothstep(0.0, radius, dist);
+        if (fuzzyAlpha < 0.0001) discard;
+    #endif
+
     #if defined(dRenderVariant_pick)
         #include check_picking_alpha
         gl_FragColor = material;
@@ -37,11 +42,8 @@ void main(){
     #elif defined(dRenderVariant_color)
         gl_FragColor = material;
 
-        #ifdef dPointFilledCircle
-            float dist = distance(gl_PointCoord, center);
-            float alpha = 1.0 - smoothstep(radius - uPointEdgeBleach, radius, dist);
-            if (alpha < 0.0001) discard;
-            gl_FragColor.a *= alpha;
+        #if defined(dPointStyle_fuzzy)
+            gl_FragColor.a *= fuzzyAlpha;
         #endif
 
         #include apply_marker_color

src/mol-repr/structure/representation/point.ts

@@ -32,11 +32,11 @@ export function PointRepresentation(ctx: RepresentationContext, getParams: Repre
 export const PointRepresentationProvider = StructureRepresentationProvider({
     name: 'point',
     label: 'Point',
-    description: 'Displays elements (atoms, coarse spheres) as spheres.',
+    description: 'Displays elements (atoms, coarse spheres) as points.',
     factory: PointRepresentation,
     getParams: getPointParams,
     defaultValues: PD.getDefaultValues(PointParams),
     defaultColorTheme: { name: 'element-symbol' },
-    defaultSizeTheme: { name: 'physical' },
+    defaultSizeTheme: { name: 'uniform' },
     isApplicable: (structure: Structure) => structure.elementCount > 0
 });

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

@@ -18,7 +18,7 @@ import { Sphere3D } from '../../../mol-math/geometry';
 
 export const ElementPointParams = {
     ...UnitsPointsParams,
-    pointSizeAttenuation: PD.Boolean(true),
+    pointSizeAttenuation: PD.Boolean(false),
     ignoreHydrogens: PD.Boolean(false),
     traceOnly: PD.Boolean(false),
 };