From a61ba71f1e137f755d3bbfa6614adb2407150aba Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Mon, 30 Sep 2019 12:11:07 -0700
Subject: [PATCH] handle mixed sizes in link visuals
---
src/mol-repr/structure/representation/ball-and-stick.ts | 4 ++--
src/mol-repr/structure/visual/inter-unit-link-cylinder.ts | 6 +++++-
src/mol-repr/structure/visual/intra-unit-link-cylinder.ts | 5 ++++-
3 files changed, 11 insertions(+), 4 deletions(-)
diff --git a/src/mol-repr/structure/representation/ball-and-stick.ts b/src/mol-repr/structure/representation/ball-and-stick.ts
index 570973184..7a081a09a 100644
--- a/src/mol-repr/structure/representation/ball-and-stick.ts
+++ b/src/mol-repr/structure/representation/ball-and-stick.ts
@@ -29,7 +29,7 @@ export const BallAndStickParams = {
...IntraUnitLinkParams,
...InterUnitLinkParams,
unitKinds: PD.MultiSelect<UnitKind>(['atomic'], UnitKindOptions),
- sizeFactor: PD.Numeric(0.3, { min: 0.01, max: 10, step: 0.01 }),
+ sizeFactor: PD.Numeric(0.2, { min: 0.01, max: 10, step: 0.01 }),
sizeAspectRatio: PD.Numeric(2/3, { min: 0.01, max: 3, step: 0.01 }),
visuals: PD.MultiSelect<BallAndStickVisualName>(['element-sphere', 'intra-link', 'inter-link'], BallAndStickVisualOptions),
}
@@ -50,6 +50,6 @@ export const BallAndStickRepresentationProvider: StructureRepresentationProvider
getParams: getBallAndStickParams,
defaultValues: PD.getDefaultValues(BallAndStickParams),
defaultColorTheme: 'element-symbol',
- defaultSizeTheme: 'uniform',
+ defaultSizeTheme: 'physical',
isApplicable: (structure: Structure) => structure.elementCount > 0
}
\ No newline at end of file
diff --git a/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts b/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts
index 2ca73dfc0..fdfdfbde2 100644
--- a/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts
+++ b/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts
@@ -43,7 +43,11 @@ function createInterUnitLinkCylinderMesh(ctx: VisualContext, structure: Structur
const b = bonds[edgeIndex]
location.unit = b.unitA
location.element = b.unitA.elements[b.indexA]
- return theme.size.size(location) * sizeFactor * sizeAspectRatio
+ const sizeA = theme.size.size(location)
+ location.unit = b.unitB
+ location.element = b.unitB.elements[b.indexB]
+ const sizeB = theme.size.size(location)
+ return Math.min(sizeA, sizeB) * sizeFactor * sizeAspectRatio
},
ignore: ignoreHydrogens ? (edgeIndex: number) => {
const b = bonds[edgeIndex]
diff --git a/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts b/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts
index 611ea6858..fb8b8ec43 100644
--- a/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts
+++ b/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts
@@ -63,7 +63,10 @@ function createIntraUnitLinkCylinderMesh(ctx: VisualContext, unit: Unit, structu
flags: (edgeIndex: number) => BitFlags.create(_flags[edgeIndex]),
radius: (edgeIndex: number) => {
location.element = elements[a[edgeIndex]]
- return theme.size.size(location) * sizeFactor * sizeAspectRatio
+ const sizeA = theme.size.size(location)
+ location.element = elements[b[edgeIndex]]
+ const sizeB = theme.size.size(location)
+ return Math.min(sizeA, sizeB) * sizeFactor * sizeAspectRatio
},
ignore: ignoreHydrogens ? (edgeIndex: number) => {
return isHydrogen(unit, elements[a[edgeIndex]]) || isHydrogen(unit, elements[b[edgeIndex]])
--
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