From 014358ac47340dc3af29f69c0db715c7ff9b925a Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Michal=20Mal=C3=BD?= <michal.maly@ibt.cas.cz>
Date: Mon, 1 Aug 2022 18:55:53 +0200
Subject: [PATCH] ReDNATCO plugin stage 12
---
src/apps/rednatco/index.tsx | 8 +++++---
src/mol-theme/color/element-symbol.ts | 6 ++++--
2 files changed, 9 insertions(+), 5 deletions(-)
diff --git a/src/apps/rednatco/index.tsx b/src/apps/rednatco/index.tsx
index 74f2ed44f..20925066f 100644
--- a/src/apps/rednatco/index.tsx
+++ b/src/apps/rednatco/index.tsx
@@ -71,6 +71,8 @@ const ConformersByClass = {
};
type ConformersByClass = typeof ConformersByClass;
+const DefaultChainColor = Color(0xD9D9D9);
+
class ColorBox extends React.Component<{ caption: string, color: Color }> {
render() {
const lum = luminance(this.props.color);
@@ -472,7 +474,7 @@ class ReDNATCOMspViewer {
name: 'cartoon',
params: { sizeFactor: 0.2, sizeAspectRatio: 0.35, aromaticBonds: false },
},
- colorTheme: { name: 'chain-id', params: { asymId: 'auth' } },
+ colorTheme: { name: 'uniform', params: { color: DefaultChainColor } }
};
case 'ball-and-stick':
return {
@@ -480,7 +482,7 @@ class ReDNATCOMspViewer {
name: 'ball-and-stick',
params: { sizeFactor: 0.2, sizeAspectRatio: 0.35, aromaticBonds: false },
},
- colorTheme: { name: 'element-symbol', params: { carbonColor: 'chain-id' } },
+ colorTheme: { name: 'element-symbol', params: { carbonColor: { name: 'custom', params: DefaultChainColor } } },
};
}
}
@@ -783,7 +785,7 @@ class ReDNATCOMspViewer {
StateTransforms.Representation.StructureRepresentation3D,
this.substructureVisuals('cartoon'),
{ ref: IDs.ID('visual', 'nucleic', BaseRef) }
- );
+ )
if (display.showPyramids) {
bb.to(IDs.ID('structure', 'nucleic', BaseRef))
.apply(
diff --git a/src/mol-theme/color/element-symbol.ts b/src/mol-theme/color/element-symbol.ts
index 29d49ad9d..2d3c723ba 100644
--- a/src/mol-theme/color/element-symbol.ts
+++ b/src/mol-theme/color/element-symbol.ts
@@ -40,7 +40,8 @@ export const ElementSymbolColorThemeParams = {
'operator-name': PD.Group(OperatorNameColorThemeParams),
'model-index': PD.Group(ModelIndexColorThemeParams),
'structure-index': PD.Group(StructureIndexColorThemeParams),
- 'element-symbol': PD.EmptyGroup()
+ 'element-symbol': PD.EmptyGroup(),
+ 'custom': PD.Color(Color(0xCCCCCC))
}, { description: 'Use chain-id coloring for carbon atoms.' }),
saturation: PD.Numeric(0, { min: -6, max: 6, step: 0.1 }),
lightness: PD.Numeric(0.2, { min: -6, max: 6, step: 0.1 }),
@@ -71,7 +72,8 @@ export function ElementSymbolColorTheme(ctx: ThemeDataContext, props: PD.Values<
pcc.name === 'model-index' ? ModelIndexColorTheme(ctx, pcc.params).color :
pcc.name === 'structure-index' ? StructureIndexColorTheme(ctx, pcc.params).color :
pcc.name === 'element-symbol' ? undefined :
- assertUnreachable(pcc);
+ pcc.name === 'custom' ? () => pcc.params :
+ assertUnreachable(pcc);
function elementColor(element: ElementSymbol, location: Location) {
return (carbonColor && element === 'C')
--
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