Skip to content
Snippets Groups Projects
Commit a5556e8c authored by Alexander Rose's avatar Alexander Rose
Browse files

imroved sequence widget entity dropdown

parent 0ce2966c
No related branches found
No related tags found
No related merge requests found
Hide whitespace changes
Inline Side-by-side
src/mol-plugin/ui/sequence.tsx
+ 43
− 26
View file @ a5556e8c
......@@ -27,11 +27,18 @@ function opKey(l: StructureElement.Location) {
return `${ids.sort().join(',')}|${ncs}|${hkl}|${spgrOp}`
}
function splitModelEntityId(modelEntityId: string) {
const [ modelIdx, entityId ] = modelEntityId.split('|')
return [ parseInt(modelIdx), entityId ]
}
function getSequenceWrapper(state: SequenceViewState, structureSelection: StructureElementSelectionManager): SequenceWrapper.Any | undefined {
const { structure, entityId, invariantUnitId, operatorKey } = state
const { structure, modelEntityId, invariantUnitId, operatorKey } = state
const l = StructureElement.Location.create()
const [ modelIdx, entityId ] = splitModelEntityId(modelEntityId)
for (const unit of structure.units) {
StructureElement.Location.set(l, unit, unit.elements[0])
if (structure.getModelIndex(unit.model) !== modelIdx) continue
if (SP.entity.id(l) !== entityId) continue
if (unit.invariantId !== invariantUnitId) continue
if (opKey(l) !== operatorKey) continue
......@@ -43,7 +50,7 @@ function getSequenceWrapper(state: SequenceViewState, structureSelection: Struct
}
}
function getEntityOptions(structure: Structure) {
function getModelEntityOptions(structure: Structure) {
const options: [string, string][] = []
const l = StructureElement.Location.create()
const seen = new Set<string>()
......@@ -51,25 +58,33 @@ function getEntityOptions(structure: Structure) {
for (const unit of structure.units) {
StructureElement.Location.set(l, unit, unit.elements[0])
const id = SP.entity.id(l)
if (seen.has(id)) continue
const modelIdx = structure.getModelIndex(unit.model)
const key = `${modelIdx}|${id}`
if (seen.has(key)) continue
const label = `${id}: ${SP.entity.pdbx_description(l).join(', ')}`
options.push([ id, label ])
seen.add(id)
let description = SP.entity.pdbx_description(l).join(', ')
if (description.startsWith('Polymer ') && structure.models.length > 1) {
description += ` (${structure.models[modelIdx].entry})`
}
const label = `${id}: ${description}`
options.push([ key, label ])
seen.add(key)
}
if (options.length === 0) options.push(['', 'No entities'])
return options
}
function getUnitOptions(structure: Structure, entityId: string) {
function getUnitOptions(structure: Structure, modelEntityId: string) {
const options: [number, string][] = []
const l = StructureElement.Location.create()
const seen = new Set<number>()
const water = new Map<string, number>()
const [ modelIdx, entityId ] = splitModelEntityId(modelEntityId)
for (const unit of structure.units) {
StructureElement.Location.set(l, unit, unit.elements[0])
if (structure.getModelIndex(unit.model) !== modelIdx) continue
if (SP.entity.id(l) !== entityId) continue
const id = unit.invariantId
......@@ -98,13 +113,15 @@ function getUnitOptions(structure: Structure, entityId: string) {
return options
}
function getOperatorOptions(structure: Structure, entityId: string, invariantUnitId: number) {
function getOperatorOptions(structure: Structure, modelEntityId: string, invariantUnitId: number) {
const options: [string, string][] = []
const l = StructureElement.Location.create()
const seen = new Set<string>()
const [ modelIdx, entityId ] = splitModelEntityId(modelEntityId)
for (const unit of structure.units) {
StructureElement.Location.set(l, unit, unit.elements[0])
if (structure.getModelIndex(unit.model) !== modelIdx) continue
if (SP.entity.id(l) !== entityId) continue
if (unit.invariantId !== invariantUnitId) continue
......@@ -135,13 +152,13 @@ function getStructureOptions(state: State) {
type SequenceViewState = {
structure: Structure,
structureRef: string,
entityId: string,
modelEntityId: string,
invariantUnitId: number,
operatorKey: string
}
export class SequenceView extends PluginUIComponent<{ }, SequenceViewState> {
state = { structure: Structure.Empty, structureRef: '', entityId: '', invariantUnitId: -1, operatorKey: '' }
state = { structure: Structure.Empty, structureRef: '', modelEntityId: '', invariantUnitId: -1, operatorKey: '' }
componentDidMount() {
if (this.plugin.state.dataState.select(StateSelection.Generators.rootsOfType(PSO.Molecule.Structure)).length > 0) this.setState(this.getInitialState())
......@@ -180,18 +197,18 @@ export class SequenceView extends PluginUIComponent<{ }, SequenceViewState> {
// TODO reuse selected values from previous state if applicable
const structureRef = getStructureOptions(this.plugin.state.dataState)[0][0]
const structure = this.getStructure(structureRef)
const entityId = getEntityOptions(structure)[0][0]
const invariantUnitId = getUnitOptions(structure, entityId)[0][0]
const operatorKey = getOperatorOptions(structure, entityId, invariantUnitId)[0][0]
return { structure, structureRef, entityId, invariantUnitId, operatorKey }
const modelEntityId = getModelEntityOptions(structure)[0][0]
const invariantUnitId = getUnitOptions(structure, modelEntityId)[0][0]
const operatorKey = getOperatorOptions(structure, modelEntityId, invariantUnitId)[0][0]
return { structure, structureRef, modelEntityId, invariantUnitId, operatorKey }
}
private get params() {
const { structure, entityId, invariantUnitId } = this.state
const { structure, modelEntityId, invariantUnitId } = this.state
const structureOptions = getStructureOptions(this.plugin.state.dataState)
const entityOptions = getEntityOptions(structure)
const unitOptions = getUnitOptions(structure, entityId)
const operatorOptions = getOperatorOptions(structure, entityId, invariantUnitId)
const entityOptions = getModelEntityOptions(structure)
const unitOptions = getUnitOptions(structure, modelEntityId)
const operatorOptions = getOperatorOptions(structure, modelEntityId, invariantUnitId)
return {
structure: PD.Select(structureOptions[0][0], structureOptions, { shortLabel: true }),
entity: PD.Select(entityOptions[0][0], entityOptions, { shortLabel: true }),
......@@ -203,7 +220,7 @@ export class SequenceView extends PluginUIComponent<{ }, SequenceViewState> {
private get values(): PD.Values<SequenceView['params']> {
return {
structure: this.state.structureRef,
entity: this.state.entityId,
entity: this.state.modelEntityId,
unit: this.state.invariantUnitId,
operator: this.state.operatorKey
}
......@@ -217,18 +234,18 @@ export class SequenceView extends PluginUIComponent<{ }, SequenceViewState> {
case 'structure':
state.structureRef = p.value
state.structure = this.getStructure(p.value)
state.entityId = getEntityOptions(state.structure)[0][0]
state.invariantUnitId = getUnitOptions(state.structure, state.entityId)[0][0]
state.operatorKey = getOperatorOptions(state.structure, state.entityId, state.invariantUnitId)[0][0]
state.modelEntityId = getModelEntityOptions(state.structure)[0][0]
state.invariantUnitId = getUnitOptions(state.structure, state.modelEntityId)[0][0]
state.operatorKey = getOperatorOptions(state.structure, state.modelEntityId, state.invariantUnitId)[0][0]
break
case 'entity':
state.entityId = p.value
state.invariantUnitId = getUnitOptions(state.structure, state.entityId)[0][0]
state.operatorKey = getOperatorOptions(state.structure, state.entityId, state.invariantUnitId)[0][0]
state.modelEntityId = p.value
state.invariantUnitId = getUnitOptions(state.structure, state.modelEntityId)[0][0]
state.operatorKey = getOperatorOptions(state.structure, state.modelEntityId, state.invariantUnitId)[0][0]
break
case 'unit':
state.invariantUnitId = p.value
state.operatorKey = getOperatorOptions(state.structure, state.entityId, state.invariantUnitId)[0][0]
state.operatorKey = getOperatorOptions(state.structure, state.modelEntityId, state.invariantUnitId)[0][0]
break
case 'operator':
state.operatorKey = p.value
......
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment