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@@ -16,7 +16,7 @@ import Tune from '@material-ui/icons/Tune';
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import { CollapsableControls, PurePluginUIComponent } from '../base';
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import { Icon } from '../controls/icons';
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import { Button, ToggleButton, IconButton } from '../controls/common';
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-import { StructureElement, StructureSelection, QueryContext, Structure } from '../../mol-model/structure';
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+import { StructureElement, StructureSelection, QueryContext, Structure, StructureProperties } from '../../mol-model/structure';
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import { Mat4 } from '../../mol-math/linear-algebra';
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import { ParamDefinition as PD } from '../../mol-util/param-definition';
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import { StateObjectRef, StateObjectCell, StateSelection } from '../../mol-state';
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@@ -221,14 +221,15 @@ export class SuperpositionControls extends PurePluginUIComponent<{}, Superpositi
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}
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get chainEntries() {
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+ const location = StructureElement.Location.create();
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const entries: LociEntry[] = [];
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this.plugin.managers.structure.selection.entries.forEach(({ selection }, ref) => {
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const cell = StateObjectRef.resolveAndCheck(this.plugin.state.data, ref);
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if (!cell || StructureElement.Loci.isEmpty(selection)) return;
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- // only single chain selections
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- // TODO wrongly assumes unit is equal to chain
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- if (selection.elements.length > 1) return;
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+ // only single polymer chain selections
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+ const l = StructureElement.Loci.getFirstLocation(selection, location)!;
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+ if (selection.elements.length > 1 || StructureProperties.entity.type(l) !== 'polymer') return;
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const stats = StructureElement.Stats.ofLoci(selection);
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const counts = structureElementStatsLabel(stats, { countsOnly: true });
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@@ -278,7 +279,7 @@ export class SuperpositionControls extends PurePluginUIComponent<{}, Superpositi
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{entries.map((e, i) => this.lociEntry(e, i))}
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</div>}
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{entries.length < 2 && <div className='msp-control-offset msp-help-text'>
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- <div className='msp-help-description'><Icon svg={HelpOutline} inline />Add 2 or more selections <ToggleSelectionModeButton /> from separate structures. Selections must be limited to single chains or parts of single chains.</div>
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+ <div className='msp-help-description'><Icon svg={HelpOutline} inline />Add 2 or more selections <ToggleSelectionModeButton /> from separate structures. Selections must be limited to single polymer chains or residues therein.</div>
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</div>}
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{entries.length > 1 && <Button title='Superpose structures by selected chains.' className='msp-btn-commit msp-btn-commit-on' onClick={this.superposeChains} style={{ marginTop: '1px' }}>
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Superpose
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Alexander Rose