diff --git a/src/apps/canvas/component/structure-representation.tsx b/src/apps/canvas/component/structure-representation.tsx
index 497fa6e8b324d631f44afe2dfe45bf4bd3e5347f..d81cc3f3d1a179dcd825217bddb3de60403dfad6 100644
--- a/src/apps/canvas/component/structure-representation.tsx
+++ b/src/apps/canvas/component/structure-representation.tsx
@@ -24,6 +24,7 @@ export interface StructureRepresentationComponentState {
quality: VisualQuality
colorTheme: ColorThemeProps
+ flatShaded?: boolean
resolutionFactor?: number
probeRadius?: number
isoValue?: number
@@ -37,6 +38,7 @@ export class StructureRepresentationComponent extends React.Component<StructureR
quality: this.props.representation.props.quality,
colorTheme: this.props.representation.props.colorTheme,
+ flatShaded: (this.props.representation.props as any).flatShaded,
resolutionFactor: (this.props.representation.props as any).resolutionFactor,
probeRadius: (this.props.representation.props as any).probeRadius,
isoValue: (this.props.representation.props as any).isoValue,
@@ -53,6 +55,7 @@ export class StructureRepresentationComponent extends React.Component<StructureR
quality: repr.props.quality,
colorTheme: repr.props.colorTheme,
+ flatShaded: (repr.props as any).flatShaded,
resolutionFactor: (repr.props as any).resolutionFactor,
probeRadius: (repr.props as any).probeRadius,
isoValue: (repr.props as any).isoValue,
@@ -68,12 +71,13 @@ export class StructureRepresentationComponent extends React.Component<StructureR
if (state.alpha !== undefined) props.alpha = state.alpha
if (state.colorTheme !== undefined) props.colorTheme = state.colorTheme
+ if (state.flatShaded !== undefined) (props as any).flatShaded = state.flatShaded
if (state.resolutionFactor !== undefined) (props as any).resolutionFactor = state.resolutionFactor
if (state.probeRadius !== undefined) (props as any).probeRadius = state.probeRadius
if (state.isoValue !== undefined) (props as any).isoValue = state.isoValue
await repr.createOrUpdate(props).run(
- progress => console.log(Progress.format(progress)), 100
+ progress => console.log(Progress.format(progress))
)
this.props.viewer.add(repr)
this.props.viewer.draw(true)
@@ -95,6 +99,7 @@ export class StructureRepresentationComponent extends React.Component<StructureR
alpha: repr.props.alpha,
colorTheme: repr.props.colorTheme,
+ flatShaded: (repr.props as any).flatShaded,
resolutionFactor: (repr.props as any).resolutionFactor,
probeRadius: (repr.props as any).probeRadius,
isoValue: (repr.props as any).isoValue,
@@ -122,6 +127,12 @@ export class StructureRepresentationComponent extends React.Component<StructureR
{visible ? 'Hide' : 'Show'}
</button>
</div>
+ { this.state.flatShaded !== undefined ? <div>
+ <span>Flat Shaded </span>
+ <button onClick={(e) => this.update({ flatShaded: !this.state.flatShaded }) }>
+ {this.state.flatShaded ? 'Deactivate' : 'Activate'}
+ </button>
+ </div> : '' }
<div>
<span>Quality </span>
<select value={quality} onChange={(e) => this.update({ quality: e.target.value as VisualQuality }) }>
@@ -155,7 +166,7 @@ export class StructureRepresentationComponent extends React.Component<StructureR
<input type='range'
defaultValue={this.state.isoValue.toString()}
min='0.1'
- max='2'
+ max='3'
step='0.1'
onInput={(e) => this.update({ isoValue: parseFloat(e.currentTarget.value) })}
>
diff --git a/src/apps/canvas/structure-view.ts b/src/apps/canvas/structure-view.ts
index a4fe44feed193911127e579e17b324b87b39e1cc..fdfc7d30ab0185a15d19029da22d19fb333c6422 100644
--- a/src/apps/canvas/structure-view.ts
+++ b/src/apps/canvas/structure-view.ts
@@ -210,7 +210,7 @@ export async function StructureView(viewer: Viewer, models: ReadonlyArray<Model>
for (const k in structureRepresentations) {
if (active[k]) {
await structureRepresentations[k].createOrUpdate({}, structure).run(
- progress => console.log(Progress.format(progress)), 100
+ progress => console.log(Progress.format(progress))
)
viewer.add(structureRepresentations[k])
} else {
diff --git a/src/mol-geo/representation/structure/visual/gaussian-surface-mesh.ts b/src/mol-geo/representation/structure/visual/gaussian-surface-mesh.ts
index ec42e86a277c57daf381941e0c2a0d2e7bd30432..2beaba51a8db062391be08c740f9a608e0c941ce 100644
--- a/src/mol-geo/representation/structure/visual/gaussian-surface-mesh.ts
+++ b/src/mol-geo/representation/structure/visual/gaussian-surface-mesh.ts
@@ -91,15 +91,16 @@ async function createGaussianSurfaceMesh(ctx: RuntimeContext, unit: Unit, struct
const minX = Math.floor(v[0] - radius)
const minY = Math.floor(v[1] - radius)
const minZ = Math.floor(v[2] - radius)
- const maxX = Math.floor(v[0] + radius)
- const maxY = Math.floor(v[1] + radius)
- const maxZ = Math.floor(v[2] + radius)
+ const maxX = Math.ceil(v[0] + radius)
+ const maxY = Math.ceil(v[1] + radius)
+ const maxZ = Math.ceil(v[2] + radius)
- for (let x = minX; x <= maxX; ++x) {
- for (let y = minY; y <= maxY; ++y) {
- for (let z = minZ; z <= maxZ; ++z) {
+ for (let x = minX; x < maxX; ++x) {
+ for (let y = minY; y < maxY; ++y) {
+ for (let z = minZ; z < maxZ; ++z) {
const dist = Vec3.distance(Vec3.set(p, x, y, z), v)
if (dist <= radius) {
+ // TODO use actual gaussian
const density = 1.0 - smoothstep(0.0, radius * 1.0, dist)
space.set(data, x, y, z, space.get(data, x, y, z) + density)
}
diff --git a/src/mol-geo/representation/util.ts b/src/mol-geo/representation/util.ts
index a7fdea3c87c5a3dab8addee34d4b16257e39987c..48df84aa75bcdbd5b215c031c7144a7f7b4a330d 100644
--- a/src/mol-geo/representation/util.ts
+++ b/src/mol-geo/representation/util.ts
@@ -140,12 +140,12 @@ export function getQualityProps(props: Partial<QualityProps>, structure?: Struct
break
case 'low':
detail = 0
- radialSegments = 5
+ radialSegments = 8
linearSegments = 3
break
case 'lowest':
detail = 0
- radialSegments = 3
+ radialSegments = 4
linearSegments = 2
break
case 'custom':
diff --git a/src/mol-geo/util/marching-cubes/algorithm.ts b/src/mol-geo/util/marching-cubes/algorithm.ts
index 651b823e02ef7f383cc070bac8bd8e8231b3b336..6ac77a8ffdb2e3411223ec1f4f0729bcb386547c 100644
--- a/src/mol-geo/util/marching-cubes/algorithm.ts
+++ b/src/mol-geo/util/marching-cubes/algorithm.ts
@@ -100,9 +100,13 @@ class MarchingCubesComputation {
if (!params.bottomLeft) params.bottomLeft = [0, 0, 0];
if (!params.topRight) params.topRight = params.scalarField.space.dimensions;
- this.state = new MarchingCubesState(params),
- this.minX = params.bottomLeft[0]; this.minY = params.bottomLeft[1]; this.minZ = params.bottomLeft[2];
- this.maxX = params.topRight[0] - 1; this.maxY = params.topRight[1] - 1; this.maxZ = params.topRight[2] - 1;
+ this.state = new MarchingCubesState(params);
+ this.minX = params.bottomLeft[0];
+ this.minY = params.bottomLeft[1];
+ this.minZ = params.bottomLeft[2];
+ this.maxX = params.topRight[0] - 1;
+ this.maxY = params.topRight[1] - 1;
+ this.maxZ = params.topRight[2] - 1;
this.size = (this.maxX - this.minX) * (this.maxY - this.minY) * (this.maxZ - this.minZ);
this.sliceSize = (this.maxX - this.minX) * (this.maxY - this.minY);
@@ -162,7 +166,8 @@ class MarchingCubesState {
this.vertexBuffer,
li + t * (li - hi),
lj + t * (lj - hj),
- lk + t * (lk - hk)) | 0;
+ lk + t * (lk - hk)
+ ) | 0;
this.verticesOnEdges[edgeId] = id + 1;
diff --git a/src/mol-gl/scene.ts b/src/mol-gl/scene.ts
index 71e1adbc6b843f61a825ba020cf3b4420b6cf01f..f80d1a98af07c50ed8b2c32d7f6a88e8a4c96b15 100644
--- a/src/mol-gl/scene.ts
+++ b/src/mol-gl/scene.ts
@@ -15,7 +15,7 @@ import { Vec3 } from 'mol-math/linear-algebra';
function calculateBoundingSphere(renderableMap: Map<RenderObject, Renderable<RenderableValues & BaseValues>>): Sphere3D {
let count = 0
const center = Vec3.zero()
- renderableMap.forEach((r, o) => {
+ renderableMap.forEach(r => {
if (r.boundingSphere.radius) {
Vec3.add(center, center, r.boundingSphere.center)
++count
@@ -26,7 +26,7 @@ function calculateBoundingSphere(renderableMap: Map<RenderObject, Renderable<Ren
}
let radius = 0
- renderableMap.forEach((r, o) => {
+ renderableMap.forEach(r => {
if (r.boundingSphere.radius) {
radius = Math.max(radius, Vec3.distance(center, r.boundingSphere.center) + r.boundingSphere.radius)
}
@@ -60,7 +60,7 @@ namespace Scene {
update: () => {
update()
- renderableMap.forEach(o => o.update())
+ renderableMap.forEach(r => r.update())
boundingSphere = undefined
},
diff --git a/src/mol-gl/webgl/render-item.ts b/src/mol-gl/webgl/render-item.ts
index d7277fec66e11fe6630b8165714f5c400f9c6242..ce6f79961552ef7e1e9037be7754d04aca5dd684 100644
--- a/src/mol-gl/webgl/render-item.ts
+++ b/src/mol-gl/webgl/render-item.ts
@@ -172,13 +172,13 @@ export function createRenderItem(ctx: Context, drawMode: DrawMode, shaderCode: S
if (value.ref.version !== versions[k]) {
const buffer = attributeBuffers[k]
if (buffer.length >= value.ref.value.length) {
- // console.log('attribute array large enough to update', k)
+ // console.log('attribute array large enough to update', k, value.ref.id, value.ref.version)
attributeBuffers[k].updateData(value.ref.value)
} else {
- // console.log('attribute array to small, need to create new attribute', k)
+ // console.log('attribute array to small, need to create new attribute', k, value.ref.id, value.ref.version)
attributeBuffers[k].destroy()
- const spec = schema[k] as AttributeSpec<ArrayKind>
- attributeBuffers[k] = createAttributeBuffer(ctx, value.ref.value, spec.itemSize, spec.divisor)
+ const { itemSize, divisor } = schema[k] as AttributeSpec<ArrayKind>
+ attributeBuffers[k] = createAttributeBuffer(ctx, value.ref.value, itemSize, divisor)
valueChanges.attributes = true
}
versions[k] = value.ref.version
@@ -188,10 +188,10 @@ export function createRenderItem(ctx: Context, drawMode: DrawMode, shaderCode: S
valueChanges.elements = false
if (elementsBuffer && values.elements.ref.version !== versions.elements) {
if (elementsBuffer.length >= values.elements.ref.value.length) {
- // console.log('elements array large enough to update')
+ // console.log('elements array large enough to update', values.elements.ref.id, values.elements.ref.version)
elementsBuffer.updateData(values.elements.ref.value)
} else {
- // console.log('elements array to small, need to create new elements')
+ // console.log('elements array to small, need to create new elements', values.elements.ref.id, values.elements.ref.version)
elementsBuffer.destroy()
elementsBuffer = createElementsBuffer(ctx, values.elements.ref.value)
valueChanges.elements = true