From 226121a9f4533c0d71b160f53bbeb75d1dd20cb1 Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Mon, 7 May 2018 14:51:52 +0200
Subject: [PATCH] Fixed coarse model issues
---
src/mol-geo/representation/structure/spacefill.ts | 3 +--
src/mol-geo/theme/structure/color/chain-id.ts | 4 ++--
src/mol-geo/theme/structure/size/element.ts | 3 +--
3 files changed, 4 insertions(+), 6 deletions(-)
diff --git a/src/mol-geo/representation/structure/spacefill.ts b/src/mol-geo/representation/structure/spacefill.ts
index 689f2bfc9..2d9b3c1a9 100644
--- a/src/mol-geo/representation/structure/spacefill.ts
+++ b/src/mol-geo/representation/structure/spacefill.ts
@@ -17,7 +17,6 @@ import { MeshBuilder } from '../../shape/mesh-builder';
import { createTransforms, createColors } from './utils';
import { ColorTheme } from '../../theme';
import VertexMap from '../../shape/vertex-map';
-import CoarseGrained from 'mol-model/structure/model/properties/coarse-grained';
import { icosahedronVertexCount } from '../../primitive/icosahedron';
export const DefaultSpacefillProps = {
@@ -38,7 +37,7 @@ function createSpacefillMesh(unit: Unit, elementGroup: ElementGroup, detail: num
let radius: Element.Property<number>
if (Unit.isAtomic(unit)) {
radius = Queries.props.atom.vdw_radius
- } else if (Unit.isCoarse(unit) && unit.elementType === CoarseGrained.ElementType.Sphere) {
+ } else if (Unit.isSpheres(unit)) {
radius = Queries.props.coarse_grained.sphere_radius
} else {
console.warn('Unsupported unit type')
diff --git a/src/mol-geo/theme/structure/color/chain-id.ts b/src/mol-geo/theme/structure/color/chain-id.ts
index 43dfc0db6..fec2d8f8a 100644
--- a/src/mol-geo/theme/structure/color/chain-id.ts
+++ b/src/mol-geo/theme/structure/color/chain-id.ts
@@ -21,8 +21,8 @@ function createChainIdMap(unit: Unit) {
asym_id = unit.hierarchy.chains.label_asym_id
count = unit.hierarchy.chains._rowCount
} else if (Unit.isCoarse(unit)) {
- asym_id = unit.siteBases.asym_id
- count = unit.siteBases.count
+ asym_id = unit.sites.asym_id
+ count = unit.sites.count
} else {
console.warn('Unknown unit type')
return { map, count: index }
diff --git a/src/mol-geo/theme/structure/size/element.ts b/src/mol-geo/theme/structure/size/element.ts
index 699bc071a..d18238c12 100644
--- a/src/mol-geo/theme/structure/size/element.ts
+++ b/src/mol-geo/theme/structure/size/element.ts
@@ -5,7 +5,6 @@
*/
import { ElementGroup, Element, Unit, Queries } from 'mol-model/structure';
-import CoarseGrained from 'mol-model/structure/model/properties/coarse-grained';
import { StructureSizeDataProps } from '.';
import { createAttributeSize } from '../../../util/size-data';
@@ -16,7 +15,7 @@ export function elementSizeData(props: StructureSizeDataProps) {
let radius: Element.Property<number>
if (Unit.isAtomic(unit)) {
radius = Queries.props.atom.vdw_radius
- } else if (Unit.isCoarse(unit) && unit.elementType === CoarseGrained.ElementType.Sphere) {
+ } else if (Unit.isSpheres(unit)) {
radius = Queries.props.coarse_grained.sphere_radius
}
const l = Element.Location()
--
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