From 9dba6d5371a23af9fd1376a35a70c7130b70d0fd Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Tue, 18 Jun 2019 13:53:04 +0200
Subject: [PATCH] proteopedia-wrapper: tweak
---
src/examples/proteopedia-wrapper/index.html | 2 +-
src/examples/proteopedia-wrapper/index.ts | 11 +++--------
2 files changed, 4 insertions(+), 9 deletions(-)
diff --git a/src/examples/proteopedia-wrapper/index.html b/src/examples/proteopedia-wrapper/index.html
index 2a72e4b51..5fd7d7bbc 100644
--- a/src/examples/proteopedia-wrapper/index.html
+++ b/src/examples/proteopedia-wrapper/index.html
@@ -212,7 +212,7 @@
var l = document.createElement('button');
l.innerText = r.name;
l.onclick = function () {
- PluginWrapper.hetGroups.focusFirst(r.name, r.indices[0]);
+ PluginWrapper.hetGroups.focusFirst(r.name);
};
div.appendChild(l);
});
diff --git a/src/examples/proteopedia-wrapper/index.ts b/src/examples/proteopedia-wrapper/index.ts
index 248b96029..2ee847795 100644
--- a/src/examples/proteopedia-wrapper/index.ts
+++ b/src/examples/proteopedia-wrapper/index.ts
@@ -29,7 +29,6 @@ import { BuiltInSizeThemes } from '../../mol-theme/size';
import { ColorNames } from '../../mol-util/color/tables';
import { InitVolumeStreaming, CreateVolumeStreamingInfo } from '../../mol-plugin/behavior/dynamic/volume-streaming/transformers';
import { ParamDefinition } from '../../mol-util/param-definition';
-import { ResidueIndex } from '../../mol-model/structure';
// import { Vec3 } from 'mol-math/linear-algebra';
// import { ParamDefinition } from 'mol-util/param-definition';
// import { Text } from 'mol-geo/geometry/text/text';
@@ -299,7 +298,7 @@ class MolStarProteopediaWrapper {
PluginCommands.State.Update.dispatch(this.plugin, { state: this.state, tree: update });
PluginCommands.Camera.Reset.dispatch(this.plugin, { });
},
- focusFirst: async (resn: string, resIdx: ResidueIndex) => {
+ focusFirst: async (compId: string) => {
if (!this.state.transforms.has(StateElements.Assembly)) return;
await PluginCommands.Camera.Reset.dispatch(this.plugin, { });
@@ -311,17 +310,13 @@ class MolStarProteopediaWrapper {
const core = MS.struct.filter.first([
MS.struct.generator.atomGroups({
- 'residue-test': MS.core.logic.and([
- MS.core.rel.eq([MS.struct.atomProperty.macromolecular.label_comp_id(), resn]),
- // the resIdx isn't very clear solution and is based on current implementation of residueKey()
- MS.core.rel.eq([MS.struct.atomProperty.macromolecular.residueKey(), resIdx])
- ]),
+ 'residue-test': MS.core.rel.eq([MS.struct.atomProperty.macromolecular.label_comp_id(), compId]),
'group-by': MS.core.str.concat([MS.struct.atomProperty.core.operatorName(), MS.struct.atomProperty.macromolecular.residueKey()])
})
]);
const surroundings = MS.struct.modifier.includeSurroundings({ 0: core, radius: 5, 'as-whole-residues': true });
- const group = update.to(StateElements.Assembly).group(StateTransforms.Misc.CreateGroup, { label: resn }, { ref: StateElements.HetGroupFocusGroup });
+ const group = update.to(StateElements.Assembly).group(StateTransforms.Misc.CreateGroup, { label: compId }, { ref: StateElements.HetGroupFocusGroup });
group.apply(StateTransforms.Model.StructureSelection, { label: 'Core', query: core }, { ref: StateElements.HetGroupFocus })
.apply(StateTransforms.Representation.StructureRepresentation3D, this.createCoreVisualParams());
--
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