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molstar

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A comprehensive macromolecular library.

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"use strict"; /** * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ Object.defineProperty(exports, "__esModule", { value: true }); exports.PolymerTubeVisual = exports.PolymerTubeParams = exports.DefaultPolymerTubeMeshProps = exports.PolymerTubeMeshParams = void 0; var tslib_1 = require("tslib"); var param_definition_1 = require("../../../mol-util/param-definition"); var mesh_1 = require("../../../mol-geo/geometry/mesh/mesh"); var mesh_builder_1 = require("../../../mol-geo/geometry/mesh/mesh-builder"); var polymer_1 = require("./util/polymer"); var types_1 = require("../../../mol-model/structure/model/types"); var tube_1 = require("../../../mol-geo/geometry/mesh/builder/tube"); var units_visual_1 = require("../units-visual"); var sheet_1 = require("../../../mol-geo/geometry/mesh/builder/sheet"); var ribbon_1 = require("../../../mol-geo/geometry/mesh/builder/ribbon"); var linear_algebra_1 = require("../../../mol-math/linear-algebra"); var sphere_1 = require("../../../mol-geo/geometry/mesh/builder/sphere"); var base_1 = require("../../../mol-geo/geometry/base"); var geometry_1 = require("../../../mol-math/geometry"); exports.PolymerTubeMeshParams = { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), linearSegments: param_definition_1.ParamDefinition.Numeric(8, { min: 1, max: 48, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), radialSegments: param_definition_1.ParamDefinition.Numeric(16, { min: 2, max: 56, step: 2 }, base_1.BaseGeometry.CustomQualityParamInfo), }; exports.DefaultPolymerTubeMeshProps = param_definition_1.ParamDefinition.getDefaultValues(exports.PolymerTubeMeshParams); var tmpV1 = (0, linear_algebra_1.Vec3)(); function createPolymerTubeMesh(ctx, unit, structure, theme, props, mesh) { var polymerElementCount = unit.polymerElements.length; if (!polymerElementCount) return mesh_1.Mesh.createEmpty(mesh); var sizeFactor = props.sizeFactor, detail = props.detail, linearSegments = props.linearSegments, radialSegments = props.radialSegments; var vertexCount = linearSegments * radialSegments * polymerElementCount + (radialSegments + 1) * polymerElementCount * 2; var builderState = mesh_builder_1.MeshBuilder.createState(vertexCount, vertexCount / 10, mesh); var state = (0, polymer_1.createCurveSegmentState)(linearSegments); var curvePoints = state.curvePoints, normalVectors = state.normalVectors, binormalVectors = state.binormalVectors, widthValues = state.widthValues, heightValues = state.heightValues; var i = 0; var polymerTraceIt = (0, polymer_1.PolymerTraceIterator)(unit, structure, { ignoreSecondaryStructure: true }); while (polymerTraceIt.hasNext) { var v = polymerTraceIt.move(); builderState.currentGroup = i; var isNucleicType = (0, types_1.isNucleic)(v.moleculeType); var shift = isNucleicType ? polymer_1.NucleicShift : polymer_1.StandardShift; (0, polymer_1.interpolateCurveSegment)(state, v, polymer_1.StandardTension, shift); var startCap = v.coarseBackboneFirst || v.first; var endCap = v.coarseBackboneLast || v.last; var s0 = theme.size.size(v.centerPrev) * sizeFactor; var s1 = theme.size.size(v.center) * sizeFactor; var s2 = theme.size.size(v.centerNext) * sizeFactor; (0, polymer_1.interpolateSizes)(state, s0, s1, s2, s0, s1, s2, shift); var segmentCount = linearSegments; if (v.initial) { segmentCount = Math.max(Math.round(linearSegments * shift), 1); var offset = linearSegments - segmentCount; curvePoints.copyWithin(0, offset * 3); binormalVectors.copyWithin(0, offset * 3); normalVectors.copyWithin(0, offset * 3); widthValues.copyWithin(0, offset * 3); heightValues.copyWithin(0, offset * 3); linear_algebra_1.Vec3.fromArray(tmpV1, curvePoints, 3); linear_algebra_1.Vec3.normalize(tmpV1, linear_algebra_1.Vec3.sub(tmpV1, v.p2, tmpV1)); linear_algebra_1.Vec3.scaleAndAdd(tmpV1, v.p2, tmpV1, s1 * polymer_1.OverhangFactor); linear_algebra_1.Vec3.toArray(tmpV1, curvePoints, 0); } else if (v.final) { segmentCount = Math.max(Math.round(linearSegments * (1 - shift)), 1); linear_algebra_1.Vec3.fromArray(tmpV1, curvePoints, segmentCount * 3 - 3); linear_algebra_1.Vec3.normalize(tmpV1, linear_algebra_1.Vec3.sub(tmpV1, v.p2, tmpV1)); linear_algebra_1.Vec3.scaleAndAdd(tmpV1, v.p2, tmpV1, s1 * polymer_1.OverhangFactor); linear_algebra_1.Vec3.toArray(tmpV1, curvePoints, segmentCount * 3); } if (v.initial === true && v.final === true) { (0, sphere_1.addSphere)(builderState, v.p2, s1 * 2, detail); } else if (radialSegments === 2) { (0, ribbon_1.addRibbon)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, widthValues, heightValues, 0); } else if (radialSegments === 4) { (0, sheet_1.addSheet)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, widthValues, heightValues, 0, startCap, endCap); } else { (0, tube_1.addTube)(builderState, curvePoints, normalVectors, binormalVectors, segmentCount, radialSegments, widthValues, heightValues, startCap, endCap, 'elliptical'); } ++i; } var m = mesh_builder_1.MeshBuilder.getMesh(builderState); var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, 1 * props.sizeFactor); m.setBoundingSphere(sphere); return m; } exports.PolymerTubeParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), exports.PolymerTubeMeshParams); function PolymerTubeVisual(materialId) { return (0, units_visual_1.UnitsMeshVisual)({ defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.PolymerTubeParams), createGeometry: createPolymerTubeMesh, createLocationIterator: polymer_1.PolymerLocationIterator.fromGroup, getLoci: polymer_1.getPolymerElementLoci, eachLocation: polymer_1.eachPolymerElement, setUpdateState: function (state, newProps, currentProps) { state.createGeometry = (newProps.sizeFactor !== currentProps.sizeFactor || newProps.detail !== currentProps.detail || newProps.linearSegments !== currentProps.linearSegments || newProps.radialSegments !== currentProps.radialSegments); } }, materialId); } exports.PolymerTubeVisual = PolymerTubeVisual;