/** * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose * @author David Sehnal */ import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { VisualUpdateState } from '../../../mol-repr/util'; import { VisualContext } from '../../../mol-repr/visual'; import { Structure, StructureElement, StructureProperties } from '../../../mol-model/structure'; import { Theme } from '../../../mol-theme/theme'; import { Text } from '../../../mol-geo/geometry/text/text'; import { TextBuilder } from '../../../mol-geo/geometry/text/text-builder'; import { ComplexTextVisual, ComplexTextParams, ComplexVisual } from '../complex-visual'; import { ElementIterator, getSerialElementLoci, eachSerialElement } from './util/element'; import { ColorNames } from '../../../mol-util/color/names'; import { Vec3 } from '../../../mol-math/linear-algebra'; import { PhysicalSizeTheme } from '../../../mol-theme/size/physical'; import { BoundaryHelper } from '../../../mol-math/geometry/boundary-helper'; export const LabelTextParams = { ...ComplexTextParams, background: PD.Boolean(true), backgroundMargin: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }), backgroundColor: PD.Color(ColorNames.black), backgroundOpacity: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }), level: PD.Select('residue', [['chain', 'Chain'], ['residue', 'Residue'], ['element', 'Element']] as const), chainScale: PD.Numeric(10, { min: 0, max: 20, step: 0.1 }), residueScale: PD.Numeric(1, { min: 0, max: 20, step: 0.1 }), elementScale: PD.Numeric(0.5, { min: 0, max: 20, step: 0.1 }), }; export type LabelTextParams = typeof LabelTextParams export type LabelTextProps = PD.Values export type LabelLevels = LabelTextProps['level'] export function LabelTextVisual(materialId: number): ComplexVisual { return ComplexTextVisual({ defaultProps: PD.getDefaultValues(LabelTextParams), createGeometry: createLabelText, createLocationIterator: ElementIterator.fromStructure, getLoci: getSerialElementLoci, eachLocation: eachSerialElement, setUpdateState: (state: VisualUpdateState, newProps: PD.Values, currentProps: PD.Values) => { state.createGeometry = ( newProps.level !== currentProps.level || (newProps.level === 'chain' && newProps.chainScale !== currentProps.chainScale) || (newProps.level === 'residue' && newProps.residueScale !== currentProps.residueScale) || (newProps.level === 'element' && newProps.elementScale !== currentProps.elementScale) ); } }, materialId); } function createLabelText(ctx: VisualContext, structure: Structure, theme: Theme, props: LabelTextProps, text?: Text): Text { switch (props.level) { case 'chain': return createChainText(ctx, structure, theme, props, text); case 'residue': return createResidueText(ctx, structure, theme, props, text); case 'element': return createElementText(ctx, structure, theme, props, text); } } // const tmpVec = Vec3(); const boundaryHelper = new BoundaryHelper('98'); function createChainText(ctx: VisualContext, structure: Structure, theme: Theme, props: LabelTextProps, text?: Text): Text { const l = StructureElement.Location.create(structure); const { units, serialMapping } = structure; const { auth_asym_id, label_asym_id } = StructureProperties.chain; const { cumulativeUnitElementCount } = serialMapping; const count = units.length; const { chainScale } = props; const builder = TextBuilder.create(props, count, count / 2, text); for (let i = 0, il = units.length; i < il; ++i) { const unit = units[i]; l.unit = unit; l.element = unit.elements[0]; const { center, radius } = unit.lookup3d.boundary.sphere; Vec3.transformMat4(tmpVec, center, unit.conformation.operator.matrix); const authId = auth_asym_id(l); const labelId = label_asym_id(l); const text = authId === labelId ? labelId : `${labelId} [${authId}]`; builder.add(text, tmpVec[0], tmpVec[1], tmpVec[2], radius, chainScale, cumulativeUnitElementCount[i]); } return builder.getText(); } function createResidueText(ctx: VisualContext, structure: Structure, theme: Theme, props: LabelTextProps, text?: Text): Text { const l = StructureElement.Location.create(structure); const { units, serialMapping } = structure; const { label_comp_id } = StructureProperties.atom; const { auth_seq_id } = StructureProperties.residue; const { cumulativeUnitElementCount } = serialMapping; const count = structure.polymerResidueCount * 2; const { residueScale } = props; const builder = TextBuilder.create(props, count, count / 2, text); for (let i = 0, il = units.length; i < il; ++i) { const unit = units[i]; const pos = unit.conformation.position; const { elements } = unit; l.unit = unit; l.element = unit.elements[0]; const residueIndex = unit.model.atomicHierarchy.residueAtomSegments.index; const groupOffset = cumulativeUnitElementCount[i]; let j = 0, jl = elements.length; while (j < jl) { const start = j, rI = residueIndex[elements[j]]; j++; while (j < jl && residueIndex[elements[j]] === rI) j++; boundaryHelper.reset(); for (let eI = start; eI < j; eI++) { pos(elements[eI], tmpVec); boundaryHelper.includePosition(tmpVec); } boundaryHelper.finishedIncludeStep(); for (let eI = start; eI < j; eI++) { pos(elements[eI], tmpVec); boundaryHelper.radiusPosition(tmpVec); } l.element = elements[start]; const { center, radius } = boundaryHelper.getSphere(); const authSeqId = auth_seq_id(l); const compId = label_comp_id(l); const text = `${compId} ${authSeqId}`; builder.add(text, center[0], center[1], center[2], radius, residueScale, groupOffset + start); } } return builder.getText(); } function createElementText(ctx: VisualContext, structure: Structure, theme: Theme, props: LabelTextProps, text?: Text): Text { const l = StructureElement.Location.create(structure); const { units, serialMapping } = structure; const { label_atom_id, label_alt_id } = StructureProperties.atom; const { cumulativeUnitElementCount } = serialMapping; const sizeTheme = PhysicalSizeTheme({}, { scale: 1 }); const count = structure.elementCount; const { elementScale } = props; const builder = TextBuilder.create(props, count, count / 2, text); for (let i = 0, il = units.length; i < il; ++i) { const unit = units[i]; const pos = unit.conformation.position; const { elements } = unit; l.unit = unit; const groupOffset = cumulativeUnitElementCount[i]; for (let j = 0, _j = elements.length; j < _j; j++) { l.element = elements[j]; pos(l.element, tmpVec); const atomId = label_atom_id(l); const altId = label_alt_id(l); const text = altId ? `${atomId}%${altId}` : atomId; builder.add(text, tmpVec[0], tmpVec[1], tmpVec[2], sizeTheme.size(l), elementScale, groupOffset + j); } } return builder.getText(); }