molstar 2.3.6 → 2.4.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/build/viewer/molstar.css +1 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/index.d.ts +1 -1
- package/lib/apps/viewer/index.js +3 -3
- package/lib/apps/viewer/index.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/cli/chem-comp-dict/util.js +2 -2
- package/lib/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/cli/cif2bcif/converter.js +2 -2
- package/lib/cli/cif2bcif/converter.js.map +1 -1
- package/lib/cli/cifschema/index.js +12 -12
- package/lib/cli/cifschema/index.js.map +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +20 -19
- package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/cli/cifschema/util/generate.js +21 -21
- package/lib/cli/cifschema/util/generate.js.map +1 -1
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/cli/cifschema/util/schema.js.map +1 -1
- package/lib/cli/lipid-params/index.js +3 -3
- package/lib/cli/lipid-params/index.js.map +1 -1
- package/lib/cli/state-docs/index.js +4 -4
- package/lib/cli/state-docs/index.js.map +1 -1
- package/lib/cli/state-docs/pd-to-md.js +10 -10
- package/lib/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/cli/structure-info/model.js +18 -18
- package/lib/cli/structure-info/model.js.map +1 -1
- package/lib/cli/structure-info/volume.js +1 -1
- package/lib/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
- package/lib/commonjs/apps/viewer/index.d.ts +8 -8
- package/lib/commonjs/apps/viewer/index.js +3 -3
- package/lib/commonjs/apps/viewer/index.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
- package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
- package/lib/commonjs/cli/cifschema/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +20 -19
- package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
- package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +3 -3
- package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/index.js +4 -4
- package/lib/commonjs/cli/state-docs/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
- package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/commonjs/cli/structure-info/model.js +18 -18
- package/lib/commonjs/cli/structure-info/model.js.map +1 -1
- package/lib/commonjs/cli/structure-info/volume.js +1 -1
- package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
- package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/examples/task.js.map +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.d.ts +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/model.js +15 -15
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/state.js +5 -5
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.js +4 -4
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
- package/lib/commonjs/extensions/g3d/data.js +2 -2
- package/lib/commonjs/extensions/g3d/data.js.map +1 -1
- package/lib/commonjs/extensions/g3d/model.js +2 -2
- package/lib/commonjs/extensions/g3d/model.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/controls.js +3 -3
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +28 -18
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +31 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +87 -15
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +27 -18
- package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/ui.js +24 -20
- package/lib/commonjs/extensions/geo-export/ui.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +31 -21
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +2 -2
- package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +7 -6
- package/lib/commonjs/extensions/mp4-export/ui.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +22 -21
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -5
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
- package/lib/commonjs/mol-canvas3d/canvas3d.js +3 -3
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +3 -11
- package/lib/commonjs/mol-canvas3d/passes/draw.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db/table.js.map +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
- package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
- package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
- package/lib/commonjs/mol-data/int/tuple.js +1 -1
- package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +13 -1
- package/lib/commonjs/mol-geo/geometry/base.js +37 -2
- package/lib/commonjs/mol-geo/geometry/base.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +9 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +154 -35
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/overpaint-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +7 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +162 -27
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +3 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.js.map +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +4 -4
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +1 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
- package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/util.d.ts +25 -6
- package/lib/commonjs/mol-gl/compute/util.js +76 -21
- package/lib/commonjs/mol-gl/compute/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/image.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/points.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +16 -0
- package/lib/commonjs/mol-gl/renderable/schema.js +8 -0
- package/lib/commonjs/mol-gl/renderable/schema.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/text.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +22 -13
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +1 -1
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
- package/lib/commonjs/mol-gl/renderer.js +3 -0
- package/lib/commonjs/mol-gl/renderer.js.map +1 -1
- package/lib/commonjs/mol-gl/scene.js +1 -1
- package/lib/commonjs/mol-gl/scene.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +8 -8
- package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
- package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
- package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +2 -2
- package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +14 -12
- package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js +2 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
- package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/shader.js +3 -3
- package/lib/commonjs/mol-gl/webgl/shader.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/state.d.ts +4 -1
- package/lib/commonjs/mol-gl/webgl/state.js +25 -1
- package/lib/commonjs/mol-gl/webgl/state.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/texture.js +2 -2
- package/lib/commonjs/mol-gl/webgl/texture.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/uniform.js +2 -2
- package/lib/commonjs/mol-gl/webgl/uniform.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/vertex-array.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.js +9 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.js.map +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js.map +1 -1
- package/lib/commonjs/mol-io/common/typed-array.d.ts +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js.map +1 -1
- package/lib/commonjs/mol-io/reader/_spec/sdf.spec.js +51 -0
- package/lib/commonjs/mol-io/reader/_spec/sdf.spec.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/data-model.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/data-model.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.d.ts +8 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js +15 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +4 -4
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
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- package/lib/servers/model/server/structure-wrapper.js +6 -6
- package/lib/servers/model/server/structure-wrapper.js.map +1 -1
- package/lib/servers/model/server.js +3 -3
- package/lib/servers/model/server.js.map +1 -1
- package/lib/servers/model/utils/fetch-props-pdbe.js +4 -4
- package/lib/servers/model/utils/fetch-props-pdbe.js.map +1 -1
- package/lib/servers/model/utils/writer.js +2 -2
- package/lib/servers/model/utils/writer.js.map +1 -1
- package/lib/servers/plugin-state/api-schema.js +2 -2
- package/lib/servers/plugin-state/api-schema.js.map +1 -1
- package/lib/servers/plugin-state/index.js +1 -1
- package/lib/servers/plugin-state/index.js.map +1 -1
- package/lib/servers/volume/pack/format/dsn6.js +1 -1
- package/lib/servers/volume/pack/format/dsn6.js.map +1 -1
- package/lib/servers/volume/pack/main.js +4 -4
- package/lib/servers/volume/pack/main.js.map +1 -1
- package/lib/servers/volume/pack/writer.js +1 -1
- package/lib/servers/volume/pack/writer.js.map +1 -1
- package/lib/servers/volume/pack.js +1 -1
- package/lib/servers/volume/pack.js.map +1 -1
- package/lib/servers/volume/server/api.js +7 -7
- package/lib/servers/volume/server/api.js.map +1 -1
- package/lib/servers/volume/server/local-api.js +1 -1
- package/lib/servers/volume/server/local-api.js.map +1 -1
- package/lib/servers/volume/server/query/encode.js +3 -3
- package/lib/servers/volume/server/query/encode.js.map +1 -1
- package/lib/servers/volume/server/query/execute.js +5 -5
- package/lib/servers/volume/server/query/execute.js.map +1 -1
- package/lib/servers/volume/server/version.js +1 -1
- package/lib/servers/volume/server/version.js.map +1 -1
- package/lib/servers/volume/server/web-api.js +7 -7
- package/lib/servers/volume/server/web-api.js.map +1 -1
- package/lib/servers/volume/server/web-schema.js +6 -6
- package/lib/servers/volume/server/web-schema.js.map +1 -1
- package/lib/servers/volume/server.js +2 -2
- package/lib/servers/volume/server.js.map +1 -1
- package/lib/tests/browser/font-atlas.js +1 -1
- package/lib/tests/browser/font-atlas.js.map +1 -1
- package/lib/tests/browser/render-shape.js +1 -1
- package/lib/tests/browser/render-shape.js.map +1 -1
- package/lib/tests/browser/render-structure.js +1 -1
- package/lib/tests/browser/render-structure.js.map +1 -1
- package/lib/tsconfig.commonjs.tsbuildinfo +1 -1
- package/package.json +29 -30
- package/CHANGELOG.md +0 -191
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@@ -68,7 +68,7 @@ function getIntraBondOrderFromTable(compId, atomId1, atomId2) {
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return 2;
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if (types_1.BaseNames.has(compId) && atomId1 === 'OP1' && atomId2 === 'P')
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return 2;
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return IntraBondOrderTable.get(compId
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return IntraBondOrderTable.get("".concat(compId, "|").concat(atomId1, "|").concat(atomId2)) || 1;
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}
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exports.getIntraBondOrderFromTable = getIntraBondOrderFromTable;
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/**
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@@ -87,7 +87,7 @@ function getInterBondOrderFromTable(compId1, atomId1, compId2, atomId2) {
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_a = [compId2, compId1], compId1 = _a[0], compId2 = _a[1];
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_b = [atomId2, atomId1], atomId1 = _b[0], atomId2 = _b[1];
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}
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return InterBondOrderTable.get(compId1
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return InterBondOrderTable.get("".concat(compId1, "|").concat(atomId1, "|").concat(compId2, "|").concat(atomId2)) || 1;
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}
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exports.getInterBondOrderFromTable = getInterBondOrderFromTable;
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//# sourceMappingURL=bonds.js.map
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"bonds.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/atomic/bonds.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,qCAAwD;AAExD;;;GAGG;AACH,IAAM,mBAAmB,GAAG,IAAI,GAAG,CAAC;IAChC,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IAEjB,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IAEd,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;CAClB,CAAC,CAAC;AAEH;;GAEG;AACH,SAAgB,0BAA0B,CAAC,MAAc,EAAE,OAAe,EAAE,OAAe;;IACvF,KAAqB,OAAO,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,EAA/E,OAAO,QAAA,EAAE,OAAO,QAAA,CAAgE;IACjF,IAAI,sBAAc,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,GAAG,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC/E,IAAI,iBAAS,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,KAAK,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC5E,OAAO,mBAAmB,CAAC,GAAG,
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1
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+
{"version":3,"file":"bonds.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/atomic/bonds.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,qCAAwD;AAExD;;;GAGG;AACH,IAAM,mBAAmB,GAAG,IAAI,GAAG,CAAC;IAChC,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IAEjB,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IAEd,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;CAClB,CAAC,CAAC;AAEH;;GAEG;AACH,SAAgB,0BAA0B,CAAC,MAAc,EAAE,OAAe,EAAE,OAAe;;IACvF,KAAqB,OAAO,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,EAA/E,OAAO,QAAA,EAAE,OAAO,QAAA,CAAgE;IACjF,IAAI,sBAAc,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,GAAG,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC/E,IAAI,iBAAS,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,KAAK,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC5E,OAAO,mBAAmB,CAAC,GAAG,CAAC,UAAG,MAAM,cAAI,OAAO,cAAI,OAAO,CAAE,CAAC,IAAI,CAAC,CAAC;AAC3E,CAAC;AALD,gEAKC;AAED;;;GAGG;AACH,IAAM,mBAAmB,GAAG,IAAI,GAAG,CAAC;IAChC,CAAC,gBAAgB,EAAE,CAAC,CAAC,CAAC,iDAAiD;CAC1E,CAAC,CAAC;AAEH;;GAEG;AACH,SAAgB,0BAA0B,CAAC,OAAe,EAAE,OAAe,EAAE,OAAe,EAAE,OAAe;;IACzG,IAAI,OAAO,GAAG,OAAO,EAAE;QACnB,KAAqB,CAAC,OAAO,EAAE,OAAO,CAAC,EAAtC,OAAO,QAAA,EAAE,OAAO,QAAA,CAAuB;QACxC,KAAqB,CAAC,OAAO,EAAE,OAAO,CAAC,EAAtC,OAAO,QAAA,EAAE,OAAO,QAAA,CAAuB;KAC3C;IACD,OAAO,mBAAmB,CAAC,GAAG,CAAC,UAAG,OAAO,cAAI,OAAO,cAAI,OAAO,cAAI,OAAO,CAAE,CAAC,IAAI,CAAC,CAAC;AACvF,CAAC;AAND,gEAMC"}
|
|
@@ -56,11 +56,11 @@ var Symmetry;
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56
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var gamma = (0, misc_1.radToDeg)(anglesInRadians[2]).toFixed(2);
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var label = [];
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// name
|
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-
label.push("Unit Cell <b>"
|
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59
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+
label.push("Unit Cell <b>".concat(name, "</b> #").concat(num));
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// sizes
|
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61
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label.push(a
|
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61
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+
label.push("".concat(a, "\u00D7").concat(b, "\u00D7").concat(c, " \u212B"));
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// angles
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|
63
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-
label.push("\u03B1="
|
|
63
|
+
label.push("\u03B1=".concat(alpha, "\u00B0 \u03B2=").concat(beta, "\u00B0 \u03B3=").concat(gamma, "\u00B0"));
|
|
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64
|
return label.join(' | ');
|
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65
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}
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Symmetry.getUnitcellLabel = getUnitcellLabel;
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/model/properties/symmetry.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAGH,kDAAsD;AAGtD,0DAA2D;AAE3D,sFAA0F;AAC1F,kDAAqD;AAUrD;IAWI,kBAAY,EAAU,EAAE,OAAe,EAAU,iBAAuC;QAAvC,sBAAiB,GAAjB,iBAAiB,CAAsB;QACpF,IAAI,CAAC,EAAE,GAAG,EAAE,CAAC;QACb,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;IAC3B,CAAC;IATD,sBAAI,oCAAc;aAAlB;YACI,IAAI,IAAI,CAAC,UAAU;gBAAE,OAAO,IAAI,CAAC,UAAU,CAAC;YAC5C,IAAI,CAAC,UAAU,GAAG,IAAI,CAAC,iBAAiB,EAAE,CAAC;YAC3C,OAAO,IAAI,CAAC,UAAU,CAAC;QAC3B,CAAC;;;OAAA;IAML,eAAC;AAAD,CAAC,AAfD,IAeC;AAfY,4BAAQ;AAiBrB,WAAiB,QAAQ;IACrB,SAAgB,MAAM,CAAC,EAAU,EAAE,OAAe,EAAE,iBAAuC;QACvF,OAAO,IAAI,QAAQ,CAAC,EAAE,EAAE,OAAO,EAAE,iBAAiB,CAAC,CAAC;IACxD,CAAC;IAFe,eAAM,SAErB,CAAA;AACL,CAAC,EAJgB,QAAQ,GAAR,gBAAQ,KAAR,gBAAQ,QAIxB;AArBY,4BAAQ;AAuCrB,IAAU,QAAQ,CA2BjB;AA3BD,WAAU,QAAQ;IACD,gBAAO,GAAa,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,EAAE,qBAAU,CAAC,MAAM,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAErH,SAAgB,YAAY,CAAC,KAAY,EAAE,EAAU;QACjD,IAAM,GAAG,GAAG,EAAE,CAAC,iBAAiB,EAAE,CAAC;QACnC,IAAM,QAAQ,GAAG,wBAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QACnD,OAAO,QAAQ,CAAC,CAAC,CAAC,IAAA,gBAAS,EAAC,QAAQ,CAAC,UAAU,EAAE,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,EAAE,CAAC,WAAW,EAAE,KAAK,GAAG,EAA1B,CAA0B,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IAClG,CAAC;IAJe,qBAAY,eAI3B,CAAA;IAED,SAAgB,gBAAgB,CAAC,QAAkB;QACzC,IAAA,KAAsB,QAAQ,CAAC,UAAU,EAAvC,IAAI,UAAA,EAAE,IAAI,UAAA,EAAE,GAAG,SAAwB,CAAC;QACxC,IAAA,IAAI,GAAsB,IAAI,KAA1B,EAAE,eAAe,GAAK,IAAI,gBAAT,CAAU;QACvC,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,IAAI,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACrD,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,KAAK,GAAa,EAAE,CAAC;QAC3B,OAAO;QACP,KAAK,CAAC,IAAI,CAAC,
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1
|
+
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/model/properties/symmetry.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAGH,kDAAsD;AAGtD,0DAA2D;AAE3D,sFAA0F;AAC1F,kDAAqD;AAUrD;IAWI,kBAAY,EAAU,EAAE,OAAe,EAAU,iBAAuC;QAAvC,sBAAiB,GAAjB,iBAAiB,CAAsB;QACpF,IAAI,CAAC,EAAE,GAAG,EAAE,CAAC;QACb,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;IAC3B,CAAC;IATD,sBAAI,oCAAc;aAAlB;YACI,IAAI,IAAI,CAAC,UAAU;gBAAE,OAAO,IAAI,CAAC,UAAU,CAAC;YAC5C,IAAI,CAAC,UAAU,GAAG,IAAI,CAAC,iBAAiB,EAAE,CAAC;YAC3C,OAAO,IAAI,CAAC,UAAU,CAAC;QAC3B,CAAC;;;OAAA;IAML,eAAC;AAAD,CAAC,AAfD,IAeC;AAfY,4BAAQ;AAiBrB,WAAiB,QAAQ;IACrB,SAAgB,MAAM,CAAC,EAAU,EAAE,OAAe,EAAE,iBAAuC;QACvF,OAAO,IAAI,QAAQ,CAAC,EAAE,EAAE,OAAO,EAAE,iBAAiB,CAAC,CAAC;IACxD,CAAC;IAFe,eAAM,SAErB,CAAA;AACL,CAAC,EAJgB,QAAQ,GAAR,gBAAQ,KAAR,gBAAQ,QAIxB;AArBY,4BAAQ;AAuCrB,IAAU,QAAQ,CA2BjB;AA3BD,WAAU,QAAQ;IACD,gBAAO,GAAa,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,EAAE,qBAAU,CAAC,MAAM,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAErH,SAAgB,YAAY,CAAC,KAAY,EAAE,EAAU;QACjD,IAAM,GAAG,GAAG,EAAE,CAAC,iBAAiB,EAAE,CAAC;QACnC,IAAM,QAAQ,GAAG,wBAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QACnD,OAAO,QAAQ,CAAC,CAAC,CAAC,IAAA,gBAAS,EAAC,QAAQ,CAAC,UAAU,EAAE,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,EAAE,CAAC,WAAW,EAAE,KAAK,GAAG,EAA1B,CAA0B,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IAClG,CAAC;IAJe,qBAAY,eAI3B,CAAA;IAED,SAAgB,gBAAgB,CAAC,QAAkB;QACzC,IAAA,KAAsB,QAAQ,CAAC,UAAU,EAAvC,IAAI,UAAA,EAAE,IAAI,UAAA,EAAE,GAAG,SAAwB,CAAC;QACxC,IAAA,IAAI,GAAsB,IAAI,KAA1B,EAAE,eAAe,GAAK,IAAI,gBAAT,CAAU;QACvC,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,IAAI,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACrD,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,KAAK,GAAa,EAAE,CAAC;QAC3B,OAAO;QACP,KAAK,CAAC,IAAI,CAAC,uBAAgB,IAAI,mBAAS,GAAG,CAAE,CAAC,CAAC;QAC/C,QAAQ;QACR,KAAK,CAAC,IAAI,CAAC,UAAG,CAAC,mBAAS,CAAC,mBAAS,CAAC,YAAS,CAAC,CAAC;QAC9C,SAAS;QACT,KAAK,CAAC,IAAI,CAAC,iBAAU,KAAK,2BAAiB,IAAI,2BAAiB,KAAK,WAAQ,CAAC,CAAC;QAC/E,OAAO,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAC7B,CAAC;IAjBe,yBAAgB,mBAiB/B,CAAA;AACL,CAAC,EA3BS,QAAQ,KAAR,QAAQ,QA2BjB;AAEQ,4BAAQ"}
|
|
@@ -17,7 +17,7 @@ function getResidueId(seq_id, ins_code) {
|
|
|
17
17
|
return (0, util_1.cantorPairing)(ins_code.charCodeAt(0), seq_id);
|
|
18
18
|
if (ins_code.length === 2)
|
|
19
19
|
return (0, util_1.cantorPairing)(ins_code.charCodeAt(0), (0, util_1.cantorPairing)(ins_code.charCodeAt(1), seq_id));
|
|
20
|
-
return seq_id
|
|
20
|
+
return "".concat(seq_id, " ").concat(ins_code);
|
|
21
21
|
}
|
|
22
22
|
function updateMapMapIndex(map, key0, key1, index) {
|
|
23
23
|
if (map.has(key0)) {
|
|
@@ -33,7 +33,7 @@ function updateMapMapIndex(map, key0, key1, index) {
|
|
|
33
33
|
}
|
|
34
34
|
}
|
|
35
35
|
function missingEntity(k) {
|
|
36
|
-
throw new Error("Missing entity entry for entity id '"
|
|
36
|
+
throw new Error("Missing entity entry for entity id '".concat(k, "'."));
|
|
37
37
|
}
|
|
38
38
|
function createMapping(entities, data, segments) {
|
|
39
39
|
return {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"atomic-index.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/utils/atomic-index.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAGH,mDAAkF;AAGlF,iDAAmE;AACnE,qDAA6D;AAG7D,SAAS,YAAY,CAAC,MAAc,EAAE,QAAgB;IAClD,IAAI,CAAC,QAAQ;QAAE,OAAO,MAAM,CAAC;IAC7B,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC;IAChF,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC;IACvH,
|
|
1
|
+
{"version":3,"file":"atomic-index.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/utils/atomic-index.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAGH,mDAAkF;AAGlF,iDAAmE;AACnE,qDAA6D;AAG7D,SAAS,YAAY,CAAC,MAAc,EAAE,QAAgB;IAClD,IAAI,CAAC,QAAQ;QAAE,OAAO,MAAM,CAAC;IAC7B,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC;IAChF,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC;IACvH,OAAO,UAAG,MAAM,cAAI,QAAQ,CAAE,CAAC;AACnC,CAAC;AAED,SAAS,iBAAiB,CAAsB,GAA2B,EAAE,IAAO,EAAE,IAAY,EAAE,KAAQ;IACxG,IAAI,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,EAAE;QACf,IAAM,MAAM,GAAG,GAAG,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAC9B,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,IAAI,CAAC,EAAE;YACnB,MAAM,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;SAC3B;KACJ;SAAM;QACH,IAAM,MAAM,GAAG,IAAI,GAAG,EAAa,CAAC;QACpC,GAAG,CAAC,GAAG,CAAC,IAAI,EAAE,MAAM,CAAC,CAAC;QACtB,MAAM,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;KAC3B;AACL,CAAC;AAED,SAAS,aAAa,CAAC,CAAS;IAC5B,MAAM,IAAI,KAAK,CAAC,8CAAuC,CAAC,OAAI,CAAC,CAAC;AAClE,CAAC;AAqBD,SAAS,aAAa,CAAC,QAAkB,EAAE,IAAgB,EAAE,QAAwB;IACjF,OAAO;QACH,QAAQ,UAAA;QACR,QAAQ,UAAA;QACR,YAAY,EAAE,iBAAW,CAAC,aAAa,CAAC,IAAI,CAAC,QAAQ,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE,KAAK,EAAE,UAAU,EAAE,CAAC,CAAC;QAClG,aAAa,EAAE,IAAI,CAAC,KAAK,CAAC,aAAa;QACvC,YAAY,EAAE,IAAI,CAAC,KAAK,CAAC,YAAY;QACrC,YAAY,EAAE,IAAI,CAAC,KAAK,CAAC,YAAY;QACrC,wBAAwB,EAAE,IAAI,UAAU,CAAC,IAAI,CAAC,MAAM,CAAC,SAAS,CAAQ;QACtE,0BAA0B,EAAE,IAAI,GAAG,EAAE;QACrC,wBAAwB,EAAE,IAAI,GAAG,EAAE;QACnC,wBAAwB,EAAE,IAAI,GAAG,EAAE;QACnC,uBAAuB,EAAE,IAAI,GAAG,EAAE;QAClC,aAAa,EAAE,IAAI,GAAG,EAAE;KAC3B,CAAC;AACN,CAAC;AAED,IAAM,eAAe,GAAG,uBAAW,CAAC,eAAe,EAAE,CAAC;AACtD;IAmGI,eAAoB,GAAY;QAAZ,QAAG,GAAH,GAAG,CAAS;QAC5B,IAAI,CAAC,WAAW,GAAG,GAAG,CAAC,QAAQ,CAAC,cAAc,CAAC;QAC/C,IAAI,CAAC,cAAc,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,CAAC,mBAAmB,CAAC,OAAO,CAAC;IACxE,CAAC;IAlGD,kCAAkB,GAAlB,UAAmB,EAAc;QAC7B,OAAO,IAAI,CAAC,GAAG,CAAC,wBAAwB,CAAC,EAAE,CAAC,CAAC;IACjD,CAAC;IAED,0BAAU,GAAV,UAAW,aAAqB;QAC5B,IAAM,WAAW,GAAG,IAAI,CAAC,GAAG,CAAC,aAAa,CAAC,GAAG,CAAC,aAAa,CAAC,CAAC;QAC9D,OAAO,WAAW,KAAK,SAAS,CAAC,CAAC,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAgB,CAAC;IACvE,CAAC;IAED,8BAAc,GAAd,UAAe,GAA8B;QACzC,IAAM,EAAE,GAAG,IAAI,CAAC,WAAW,CAAC,GAAG,CAAC,eAAe,CAAC,CAAC;QACjD,IAAI,EAAE,GAAG,CAAC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,0BAA0B,CAAC,GAAG,CAAC,EAAE,CAAC;YAAE,OAAO,CAAC,CAAe,CAAC;QACpF,IAAM,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,0BAA0B,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC;QACvD,IAAI,CAAC,EAAE;YAAE,OAAO,CAAC,CAAe,CAAC;QACjC,OAAO,EAAE,CAAC,GAAG,CAAC,GAAG,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,GAAG,CAAC,aAAa,CAAE,CAAC,CAAC,CAAC,CAAC,CAAe,CAAC;IACrF,CAAC;IAED,6BAAa,GAAb,UAAc,GAA6B;QACvC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,wBAAwB,CAAC,GAAG,CAAC,GAAG,CAAC,YAAY,CAAC;YAAE,OAAO,CAAC,CAAe,CAAC;QACtF,IAAM,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,wBAAwB,CAAC,GAAG,CAAC,GAAG,CAAC,YAAY,CAAE,CAAC;QACpE,OAAO,EAAE,CAAC,GAAG,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,GAAG,CAAC,WAAW,CAAE,CAAC,CAAC,CAAC,CAAC,CAAe,CAAC;IACjF,CAAC;IAID,2BAAW,GAAX,UAAY,sBAAuD,EAAE,aAAsB,EAAE,WAAoB,EAAE,iBAA0B;QACzI,IAAI,GAA2B,CAAC;QAChC,IAAI,SAAS,CAAC,MAAM,KAAK,CAAC,EAAE;YACxB,GAAG,GAAG,sBAAgD,CAAC;SAC1D;aAAM;YACH,eAAe,CAAC,eAAe,GAAG,sBAAgC,CAAC;YACnE,eAAe,CAAC,aAAa,GAAG,aAAc,CAAC;YAC/C,eAAe,CAAC,WAAW,GAAG,WAAY,CAAC;YAC3C,eAAe,CAAC,iBAAiB,GAAG,iBAAiB,CAAC;YACtD,GAAG,GAAG,eAAe,CAAC;SACzB;QACD,IAAM,EAAE,GAAG,IAAI,CAAC,cAAc,CAAC,GAAG,CAAC,CAAC;QACpC,IAAI,EAAE,GAAG,CAAC;YAAE,OAAO,CAAC,CAAiB,CAAC;QACtC,IAAM,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,uBAAuB,CAAC,GAAG,CAAC,EAAE,CAAE,CAAC;QACrD,IAAM,EAAE,GAAG,YAAY,CAAC,GAAG,CAAC,WAAW,EAAE,GAAG,CAAC,iBAAiB,IAAI,EAAE,CAAC,CAAC;QACtE,OAAO,EAAE,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,CAAE,CAAC,CAAC,CAAC,CAAC,CAAiB,CAAC;IACzD,CAAC;IAED,+BAAe,GAAf,UAAgB,GAA+B;QAC3C,IAAM,EAAE,GAAG,IAAI,CAAC,aAAa,CAAC,GAAG,CAAC,CAAC;QACnC,IAAI,EAAE,GAAG,CAAC;YAAE,OAAO,CAAC,CAAiB,CAAC;QACtC,IAAM,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,uBAAuB,CAAC,GAAG,CAAC,EAAE,CAAE,CAAC;QACrD,IAAM,EAAE,GAAG,YAAY,CAAC,GAAG,CAAC,WAAW,EAAE,GAAG,CAAC,iBAAiB,IAAI,EAAE,CAAC,CAAC;QACtE,OAAO,EAAE,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,CAAE,CAAC,CAAC,CAAC,CAAC,CAAiB,CAAC;IACzD,CAAC;IAED,oCAAoB,GAApB,UAAqB,GAAgC;QACjD,IAAM,EAAE,GAAG,IAAI,CAAC,cAAc,CAAC,GAAG,CAAC,CAAC;QACpC,IAAI,EAAE,GAAG,CAAC;YAAE,OAAO,CAAC,CAAiB,CAAC;QACtC,IAAM,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,wBAAwB,CAAC,GAAG,CAAC,EAAE,CAAE,CAAC;QACtD,IAAM,EAAE,GAAG,YAAY,CAAC,GAAG,CAAC,YAAY,EAAE,GAAG,CAAC,iBAAiB,IAAI,EAAE,CAAC,CAAC;QACvE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE,CAAC;YAAE,OAAO,EAAE,CAAC,GAAG,CAAC,EAAE,CAAE,CAAC;QAEnC,IAAM,GAAG,GAAG,iBAAW,CAAC,oBAAoB,CAAC,IAAI,CAAC,GAAG,CAAC,YAAY,EAAE,GAAG,CAAC,YAAY,CAAiB,CAAC;QACtG,IAAM,KAAK,GAAG,2BAAe,CAAC,sBAAsB,CAAC,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,EAAE,CAAC,CAAC;QAC5E,IAAI,GAAG,GAAG,KAAK;YAAE,OAAO,KAAK,CAAC;QAC9B,IAAM,GAAG,GAAG,2BAAe,CAAC,wBAAwB,CAAC,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,EAAE,CAAC,GAAG,CAA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@@ -52,7 +52,7 @@ function createLookUp(entities, chain, seq) {
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52
52
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return { findChainKey: findChainKey, findSequenceKey: findSequenceKey };
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53
53
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}
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54
54
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function missingEntity(k) {
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|
55
|
-
throw new Error("Missing entity entry for entity id '"
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|
55
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+
throw new Error("Missing entity entry for entity id '".concat(k, "'."));
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56
56
|
}
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57
57
|
function getCoarseKeys(data, entities) {
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58
58
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var entity_id = data.entity_id, asym_id = data.asym_id, seq_id_begin = data.seq_id_begin, seq_id_end = data.seq_id_end, count = data.count, chainElementSegments = data.chainElementSegments;
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@@ -1 +1 @@
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1
|
-
{"version":3,"file":"coarse-keys.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/utils/coarse-keys.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAKH,2EAAyE;AACzE,mDAAyD;AAEzD,SAAS,aAAa,CAAC,GAAwB,EAAE,GAAW,EAAE,OAA0B;IACpF,IAAI,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC;QAAE,OAAO,GAAG,CAAC,GAAG,CAAC,GAAG,CAAE,CAAC;IACvC,IAAM,GAAG,GAAG,OAAO,CAAC,KAAK,EAAE,CAAC;IAC5B,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,GAAG,CAAC,CAAC;IAClB,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,4BAA4B,CAAC,GAAqC,EAAE,GAAW;IACpF,IAAI,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC;QAAE,OAAO,GAAG,CAAC,GAAG,CAAC,GAAG,CAAE,CAAC;IACvC,IAAM,GAAG,GAAG,IAAI,GAAG,EAAkB,CAAC;IACtC,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,GAAG,CAAC,CAAC;IAClB,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,YAAY,CAAC,QAAkB,EAAE,KAAuC,EAAE,GAAwB;IACvG,IAAM,SAAS,GAAG,QAAQ,CAAC,cAAc,CAAC;IAC1C,IAAM,YAAY,GAAuC,UAAC,CAAC,EAAE,CAAC;QAC1D,IAAM,IAAI,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;QAC1B,IAAI,IAAI,GAAG,CAAC;YAAE,OAAO,CAAC,CAAe,CAAC;QACtC,IAAM,EAAE,GAAG,KAAK,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAC5B,IAAI,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC;YAAE,OAAO,CAAC,CAAe,CAAC;QACxC,OAAO,EAAE,CAAC,GAAG,CAAC,CAAC,CAAgB,CAAC;IACpC,CAAC,CAAC;IACF,IAAM,eAAe,GAA0C,UAAC,CAAC,EAAE,CAAC,EAAE,CAAC;QACnE,IAAM,IAAI,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;QAC1B,IAAI,IAAI,GAAG,CAAC;YAAE,OAAO,CAAC,CAAiB,CAAC;QACxC,IAAM,EAAE,GAAG,KAAK,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;QAC3B,IAAI,EAAE,KAAK,SAAS;YAAE,OAAO,CAAC,CAAiB,CAAC;QAChD,IAAM,IAAI,GAAG,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;QACvB,IAAI,IAAI,KAAK,SAAS;YAAE,OAAO,CAAC,CAAiB,CAAC;QAClD,IAAM,EAAE,GAAG,GAAG,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAClB,IAAA,cAAc,GAAgB,EAAE,eAAlB,EAAE,SAAS,GAAK,EAAE,UAAP,CAAQ;QACzC,IAAM,GAAG,GAAG,4BAAY,CAAC,sBAAsB,CAAC,SAAS,EAAE,gBAAU,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC;QACtF,OAAO,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAiB,CAAC;IACnE,CAAC,CAAC;IACF,OAAO,EAAE,YAAY,cAAA,EAAE,eAAe,iBAAA,EAAE,CAAC;AAC7C,CAAC;AAED,SAAS,aAAa,CAAC,CAAS;IAC5B,MAAM,IAAI,KAAK,CAAC,
|
|
1
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+
{"version":3,"file":"coarse-keys.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/utils/coarse-keys.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAKH,2EAAyE;AACzE,mDAAyD;AAEzD,SAAS,aAAa,CAAC,GAAwB,EAAE,GAAW,EAAE,OAA0B;IACpF,IAAI,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC;QAAE,OAAO,GAAG,CAAC,GAAG,CAAC,GAAG,CAAE,CAAC;IACvC,IAAM,GAAG,GAAG,OAAO,CAAC,KAAK,EAAE,CAAC;IAC5B,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,GAAG,CAAC,CAAC;IAClB,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,4BAA4B,CAAC,GAAqC,EAAE,GAAW;IACpF,IAAI,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC;QAAE,OAAO,GAAG,CAAC,GAAG,CAAC,GAAG,CAAE,CAAC;IACvC,IAAM,GAAG,GAAG,IAAI,GAAG,EAAkB,CAAC;IACtC,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,GAAG,CAAC,CAAC;IAClB,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,YAAY,CAAC,QAAkB,EAAE,KAAuC,EAAE,GAAwB;IACvG,IAAM,SAAS,GAAG,QAAQ,CAAC,cAAc,CAAC;IAC1C,IAAM,YAAY,GAAuC,UAAC,CAAC,EAAE,CAAC;QAC1D,IAAM,IAAI,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;QAC1B,IAAI,IAAI,GAAG,CAAC;YAAE,OAAO,CAAC,CAAe,CAAC;QACtC,IAAM,EAAE,GAAG,KAAK,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAC5B,IAAI,CAAC,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC;YAAE,OAAO,CAAC,CAAe,CAAC;QACxC,OAAO,EAAE,CAAC,GAAG,CAAC,CAAC,CAAgB,CAAC;IACpC,CAAC,CAAC;IACF,IAAM,eAAe,GAA0C,UAAC,CAAC,EAAE,CAAC,EAAE,CAAC;QACnE,IAAM,IAAI,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC;QAC1B,IAAI,IAAI,GAAG,CAAC;YAAE,OAAO,CAAC,CAAiB,CAAC;QACxC,IAAM,EAAE,GAAG,KAAK,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;QAC3B,IAAI,EAAE,KAAK,SAAS;YAAE,OAAO,CAAC,CAAiB,CAAC;QAChD,IAAM,IAAI,GAAG,EAAE,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;QACvB,IAAI,IAAI,KAAK,SAAS;YAAE,OAAO,CAAC,CAAiB,CAAC;QAClD,IAAM,EAAE,GAAG,GAAG,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;QAClB,IAAA,cAAc,GAAgB,EAAE,eAAlB,EAAE,SAAS,GAAK,EAAE,UAAP,CAAQ;QACzC,IAAM,GAAG,GAAG,4BAAY,CAAC,sBAAsB,CAAC,SAAS,EAAE,gBAAU,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC;QACtF,OAAO,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAiB,CAAC;IACnE,CAAC,CAAC;IACF,OAAO,EAAE,YAAY,cAAA,EAAE,eAAe,iBAAA,EAAE,CAAC;AAC7C,CAAC;AAED,SAAS,aAAa,CAAC,CAAS;IAC5B,MAAM,IAAI,KAAK,CAAC,8CAAuC,CAAC,OAAI,CAAC,CAAC;AAClE,CAAC;AAID,SAAgB,aAAa,CAAC,IAAuB,EAAE,QAAkB;IAC7D,IAAA,SAAS,GAAqE,IAAI,UAAzE,EAAE,OAAO,GAA4D,IAAI,QAAhE,EAAE,YAAY,GAA8C,IAAI,aAAlD,EAAE,UAAU,GAAkC,IAAI,WAAtC,EAAE,KAAK,GAA2B,IAAI,MAA/B,EAAE,oBAAoB,GAAK,IAAI,qBAAT,CAAU;IAE3F,IAAM,OAAO,GAAG,IAAI,GAAG,EAAkB,CAAC;IAC1C,IAAM,SAAS,GAAG,IAAI,GAAG,EAA+B,EAAE,YAAY,GAAG,EAAE,KAAK,EAAE,CAAC,EAAE,CAAC;IAEtF,IAAM,QAAQ,GAAG,IAAI,UAAU,CAAC,KAAK,CAAwB,CAAC;IAC9D,IAAM,SAAS,GAAG,IAAI,UAAU,CAAC,KAAK,CAAyB,CAAC;IAEhE,IAAM,aAAa,GAAG,IAAI,UAAU,CAAC,oBAAoB,CAAC,KAAK,CAAyB,CAAC;IAEzF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC5B,SAAS,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,cAAc,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC3D,IAAI,SAAS,CAAC,CAAC,CAAC,GAAG,CAAC;YAAE,aAAa,CAAC,SAAS,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;KAC3D;IAED,KAAK,IAAI,EAAE,GAAG,CAAC,EAAE,EAAE,GAAG,oBAAoB,CAAC,KAAK,EAAE,EAAE,EAAE,EAAE;QACpD,IAAM,KAAK,GAAG,oBAAoB,CAAC,OAAO,CAAC,EAAE,CAAC,CAAC;QAC/C,IAAM,GAAG,GAAG,oBAAoB,CAAC,OAAO,CAAC,EAAE,GAAG,CAAC,CAAC,CAAC;QACjD,IAAM,EAAE,GAAG,SAAS,CAAC,KAAK,CAAC,CAAC;QAE5B,aAAa,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC;QAEvB,IAAM,GAAG,GAAG,4BAA4B,CAAC,SAAS,EAAE,EAAE,CAAC,CAAC;QACxD,IAAM,GAAG,GAAG,aAAa,CAAC,GAAG,EAAE,OAAO,CAAC,KAAK,CAAC,KAAK,CAAC,EAAE,YAAY,CAAe,CAAC;QACjF,KAAK,IAAI,CAAC,GAAG,KAAK,EAAE,CAAC,GAAG,GAAG,EAAE,CAAC,EAAE;YAAE,QAAQ,CAAC,CAAC,CAAC,GAAG,GAAG,CAAC;QAEpD,0EAA0E;QAC1E,IAAM,cAAc,GAAa,EAAE,CAAC;QACpC,IAAM,SAAS,GAAa,EAAE,CAAC;QAC/B,KAAK,IAAI,CAAC,GAAG,KAAK,EAAE,CAAC,GAAG,GAAG,EAAE,CAAC,EAAE,EAAE;YAC9B,IAAM,QAAQ,GAAG,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YACvC,IAAM,MAAM,GAAG,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;YACnC,cAAc,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;YACvB,SAAS,CAAC,IAAI,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;SACpC;QACD,IAAM,MAAM,GAAG,EAAE,cAAc,gBAAA,EAAE,SAAS,EAAE,4BAAY,CAAC,cAAc,CAAC,SAAS,CAAC,EAAE,CAAC;QACrF,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,MAAM,CAAC,CAAC;KAC5B;IAEK,IAAA,KAAoC,YAAY,CAAC,QAAQ,EAAE,SAAS,EAAE,OAAO,CAAC,EAA5E,YAAY,kBAAA,EAAE,eAAe,qBAA+C,CAAC;IAErF,IAAM,kBAAkB,GAA6C,UAAA,CAAC;QAClE,OAAO,aAAa,CAAC,CAAC,CAAC,CAAC;IAC5B,CAAC,CAAC;IAEF,OAAO,EAAE,QAAQ,UAAA,EAAE,SAAS,WAAA,EAAE,eAAe,iBAAA,EAAE,YAAY,cAAA,EAAE,kBAAkB,oBAAA,EAAE,CAAC;AACtF,CAAC;AA/CD,sCA+CC"}
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@@ -61,7 +61,7 @@ var ResidueSet = /** @class */ (function () {
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61
61
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ResidueSet.getLabel = function (entry, checkOperator) {
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62
62
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var _a;
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63
63
|
if (checkOperator === void 0) { checkOperator = false; }
|
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64
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-
return entry.label_asym_id
|
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64
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+
return "".concat(entry.label_asym_id, " ").concat(entry.label_comp_id, " ").concat(entry.label_seq_id, ":").concat(entry.ins_code, ":").concat(entry.label_alt_id).concat(checkOperator ? ' ' + ((_a = entry.operator_name) !== null && _a !== void 0 ? _a : '1_555') : '');
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65
65
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};
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66
66
|
ResidueSet.getEntryFromLocation = function (loc) {
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67
67
|
var _a;
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@@ -1 +1 @@
|
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1
|
-
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|
|
1
|
+
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|
|
@@ -72,7 +72,7 @@ var QueryContext = /** @class */ (function () {
|
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|
72
72
|
if (this.timeoutMs === 0)
|
|
73
73
|
return;
|
|
74
74
|
if ((0, now_1.now)() - this.timeCreated > this.timeoutMs) {
|
|
75
|
-
throw new Error("The query took too long to execute (> "
|
|
75
|
+
throw new Error("The query took too long to execute (> ".concat(this.timeoutMs / 1000, "s)."));
|
|
76
76
|
}
|
|
77
77
|
};
|
|
78
78
|
QueryContext.prototype.tryGetCurrentSelection = function () {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
{"version":3,"file":"context.js","sourceRoot":"","sources":["../../../../../src/mol-model/structure/query/context.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,0CAAiE;AACjE,6CAA4C;AAG5C,+CAAqD;AAOrD;IA4EI,sBAAY,SAAoB,EAAE,OAA6B;QA3EvD,wBAAmB,GAAgC,EAAE,CAAC;QACtD,2BAAsB,GAAwC,EAAE,CAAC;QACjE,0BAAqB,GAAgB,EAAE,CAAC;QACxC,wBAAmB,GAAgB,EAAE,CAAC;QAEtC,gBAAW,GAAG,IAAA,SAAG,GAAE,CAAC;QAK5B,sBAAsB;QACb,YAAO,GAA8B,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QACvF,qBAAgB,GAAc,KAAK,CAAQ,CAAC;QAE5C,iCAAiC;QACxB,eAAU,GAAG,IAAI,oBAAoB,EAAe,CAAC;QAE9D,kFAAkF;QAClF,qBAAgB,GAAmC,KAAK,CAAC,CAAC;QA0DtD,IAAI,CAAC,cAAc,GAAG,SAAS,CAAC;QAChC,IAAI,CAAC,SAAS,GAAG,CAAC,OAAO,IAAI,OAAO,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC;QACrD,IAAI,CAAC,gBAAgB,GAAG,OAAO,IAAI,OAAO,CAAC,gBAAgB,CAAC;IAChE,CAAC;IA3DD,yCAAkB,GAAlB;QACI,IAAI,CAAC,mBAAmB,CAAC,IAAI,CAAC,mBAAmB,CAAC,MAAM,CAAC,GAAG,IAAI,CAAC,OAAO,CAAC;QACxE,IAAI,CAAC,OAAqC,GAAG,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QACvF,OAAO,IAAI,CAAC,OAAO,CAAC;IACxB,CAAC;IAED,wCAAiB,GAAjB;QACK,IAAI,CAAC,OAAqC,GAAG,IAAI,CAAC,mBAAmB,CAAC,GAAG,EAAG,CAAC;IAClF,CAAC;IAED,sCAAe,GAAf;QACI,IAAI,IAAI,CAAC,UAAU;YAAE,IAAI,CAAC,sBAAsB,CAAC,IAAI,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC;QACtE,IAAI,CAAC,UAAgD,GAAG,IAAI,oBAAoB,EAAE,CAAC;QACpF,OAAO,IAAI,CAAC,UAAU,CAAC;IAC3B,CAAC;IAED,qCAAc,GAAd;QACI,IAAI,IAAI,CAAC,sBAAsB,CAAC,MAAM,GAAG,CAAC,EAAE;YACvC,IAAI,CAAC,UAAgD,GAAG,IAAI,CAAC,sBAAsB,CAAC,GAAG,EAAG,CAAC;SAC/F;aAAM;YACF,IAAI,CAAC,UAAkB,GAAG,KAAK,CAAC,CAAC;SACrC;IACL,CAAC;IAED,2CAAoB,GAApB;QACI,IAAI,IAAI,CAAC,gBAAgB;YAAE,IAAI,CAAC,qBAAqB,CAAC,IAAI,CAAC,IAAI,CAAC,gBAAgB,CAAC,CAAC;IACtF,CAAC;IAED,0CAAmB,GAAnB;QACI,IAAI,IAAI,CAAC,qBAAqB,CAAC,MAAM;YAAG,IAAI,CAAC,gBAA8B,GAAG,IAAI,CAAC,qBAAqB,CAAC,GAAG,EAAG,CAAC;;YAC1G,IAAI,CAAC,gBAA8B,GAAG,KAAK,CAAQ,CAAC;IAC9D,CAAC;IAED,yCAAkB,GAAlB,UAAmB,SAAoB;QACnC,IAAI,CAAC,mBAAmB,CAAC,IAAI,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;QAClD,IAAI,CAAC,cAAsB,GAAG,SAAS,CAAC;IAC7C,CAAC;IAED,wCAAiB,GAAjB;QACI,IAAI,IAAI,CAAC,mBAAmB,CAAC,MAAM,KAAK,CAAC;YAAE,MAAM,IAAI,KAAK,CAAC,uBAAuB,CAAC,CAAC;QACnF,IAAI,CAAC,cAAsB,GAAG,IAAI,CAAC,mBAAmB,CAAC,GAAG,EAAE,CAAC;IAClE,CAAC;IAED,sCAAe,GAAf;QACI,IAAI,IAAI,CAAC,SAAS,KAAK,CAAC;YAAE,OAAO;QACjC,IAAI,IAAA,SAAG,GAAE,GAAG,IAAI,CAAC,WAAW,GAAG,IAAI,CAAC,SAAS,EAAE;YAC3C,MAAM,IAAI,KAAK,CAAC,gDAAyC,IAAI,CAAC,SAAS,GAAG,IAAI,QAAK,CAAC,CAAC;SACxF;IACL,CAAC;IAED,6CAAsB,GAAtB;QACI,IAAI,CAAC,IAAI,CAAC,gBAAgB;YAAE,MAAM,IAAI,KAAK,CAAC,wCAAwC,CAAC,CAAC;QACtF,OAAO,IAAI,CAAC,gBAAgB,CAAC;IACjC,CAAC;IAOL,mBAAC;AAAD,CAAC,AAjFD,IAiFC;AAjFY,oCAAY;AA2FzB;IAAA;QACI,MAAC,GAAiC,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QAC3E,WAAM,GAA+B,CAA+B,CAAC;QACrE,MAAC,GAAiC,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;QAC3E,WAAM,GAA+B,CAA+B,CAAC;QACrE,SAAI,gBAAgC;QACpC,UAAK,GAAW,CAAC,CAAC;QAEV,WAAM,GAAmB,0BAAe,CAAC;IAyCrD,CAAC;IAvCG,2CAAY,GAAZ,UAAa,CAAY;QACrB,IAAI,CAAC,CAAC,CAAC,SAAS,GAAG,CAAC,CAAC;QACrB,IAAI,CAAC,CAAC,CAAC,SAAS,GAAG,CAAC,CAAC;IACzB,CAAC;IAED,wCAAS,GAAT,UAAU,EAAmB;QACzB,IAAI,CAAC,MAAM,GAAG,EAAE,IAAI,0BAAe,CAAC;IACxC,CAAC;IAED,mCAAI,GAAJ,UAAK,GAAiB,EAAE,OAAgB;QACpC,IAAI,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC;YAAE,OAAO,IAAI,CAAC;QAClC,IAAI,OAAO,EAAE;YACT,IAAI,CAAC,IAAI,EAAE,CAAC;YACZ,OAAO,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;SAC3B;QACD,OAAO,KAAK,CAAC;IACjB,CAAC;IAEO,mCAAI,GAAZ;QACI,+BAA+B;QAC/B,uCAAuC;QACvC,yBAAyB;QAEzB,IAAM,IAAI,GAAG,IAAI,CAAC,MAAM,CAAC;QACzB,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC,MAAM,CAAC;QAC1B,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC;QAEnB,IAAM,KAAK,GAAG,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,IAAI,GAAG,KAAK,CAAC;QAEpB,IAAM,EAAE,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC;QAC1B,IAAI,CAAC,CAAC,CAAC,OAAO,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC;QAChC,IAAI,CAAC,CAAC,CAAC,OAAO,GAAG,EAAE,CAAC;IACxB,CAAC;IAED,sBAAI,wCAAM;aAAV;YACI,OAAO,4BAAgB,CAAC,QAAQ,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,EAAE,IAAI,CAAE,CAAC,CAAC,CAAC;QAC/D,CAAC;;;OAAA;IACL,2BAAC;AAAD,CAAC,AAjDD,IAiDC"}
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@@ -10,60 +10,11 @@ export declare function checkStructureMinMaxDistance(ctx: QueryContext, a: Struc
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10
10
|
export declare function checkStructureMaxRadiusDistance(ctx: QueryContext, a: Structure, b: Structure, maxDist: number, elementRadius: QueryFn<number>): boolean | 0;
|
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11
11
|
declare namespace MinMaxDist {
|
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12
12
|
const enum Result {
|
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13
|
-
BelowMin,
|
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14
|
-
WithinMax,
|
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15
|
-
Miss
|
|
16
|
-
}
|
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17
|
-
const distVec = Vec3.zero();
|
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18
|
-
function inUnit(ctx: QueryContext, unit: Unit, p: Vec3, eRadius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
|
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19
|
-
const { elements, conformation: { position } } = unit, dV = distVec;
|
|
20
|
-
ctx.element.unit = unit;
|
|
21
|
-
let withinRange = false;
|
|
22
|
-
for (let i = 0, _i = elements.length; i < _i; i++) {
|
|
23
|
-
const e = elements[i];
|
|
24
|
-
ctx.element.element = e;
|
|
25
|
-
const d = Math.max(0, Vec3.distance(p, position(e, dV)) - eRadius - elementRadius(ctx));
|
|
26
|
-
if (d < minDist)
|
|
27
|
-
return Result.BelowMin;
|
|
28
|
-
if (d < maxDist)
|
|
29
|
-
withinRange = true;
|
|
30
|
-
}
|
|
31
|
-
return withinRange ? Result.WithinMax : Result.Miss;
|
|
32
|
-
}
|
|
33
|
-
function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
|
|
34
|
-
const { units } = s;
|
|
35
|
-
let withinRange = false;
|
|
36
|
-
for (let i = 0, _i = units.length; i < _i; i++) {
|
|
37
|
-
const iu = inUnit(ctx, units[i], point, radius, minDist, maxDist, elementRadius);
|
|
38
|
-
if (iu === Result.BelowMin)
|
|
39
|
-
return Result.BelowMin;
|
|
40
|
-
if (iu === Result.WithinMax)
|
|
41
|
-
withinRange = true;
|
|
42
|
-
}
|
|
43
|
-
return withinRange ? Result.WithinMax : Result.Miss;
|
|
44
|
-
}
|
|
45
|
-
const distPivot = Vec3.zero();
|
|
46
|
-
function check(ctx: QueryContext, a: Structure, b: Structure, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
|
|
47
|
-
if (a.elementCount === 0 || b.elementCount === 0)
|
|
48
|
-
return 0;
|
|
49
|
-
const { units } = a;
|
|
50
|
-
let withinRange = false;
|
|
51
|
-
ctx.element.structure = a;
|
|
52
|
-
for (let i = 0, _i = units.length; i < _i; i++) {
|
|
53
|
-
const unit = units[i];
|
|
54
|
-
const { elements, conformation: { position } } = unit;
|
|
55
|
-
ctx.element.unit = unit;
|
|
56
|
-
for (let i = 0, _i = elements.length; i < _i; i++) {
|
|
57
|
-
const e = elements[i];
|
|
58
|
-
ctx.element.element = e;
|
|
59
|
-
const tp = toPoint(ctx, b, position(e, distPivot), elementRadius(ctx), minDist, maxDist, elementRadius);
|
|
60
|
-
if (tp === Result.BelowMin)
|
|
61
|
-
return Result.BelowMin;
|
|
62
|
-
if (tp === Result.WithinMax)
|
|
63
|
-
withinRange = true;
|
|
64
|
-
}
|
|
65
|
-
}
|
|
66
|
-
return withinRange;
|
|
13
|
+
BelowMin = 0,
|
|
14
|
+
WithinMax = 1,
|
|
15
|
+
Miss = 2
|
|
67
16
|
}
|
|
17
|
+
function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>): Result;
|
|
18
|
+
function check(ctx: QueryContext, a: Structure, b: Structure, minDist: number, maxDist: number, elementRadius: QueryFn<number>): boolean | 0 | Result.BelowMin;
|
|
68
19
|
}
|
|
69
20
|
export {};
|
|
@@ -125,7 +125,7 @@ function computeCarbohydrates(structure) {
|
|
|
125
125
|
var partialElements = [];
|
|
126
126
|
var elementsWithRingMap = new Map();
|
|
127
127
|
function ringElementKey(residueIndex, unitId, altId) {
|
|
128
|
-
return residueIndex
|
|
128
|
+
return "".concat(residueIndex, "|").concat(unitId, "|").concat(altId);
|
|
129
129
|
}
|
|
130
130
|
function addRingElement(key, elementIndex) {
|
|
131
131
|
if (elementsWithRingMap.has(key))
|
|
@@ -1 +1 @@
|
|
|
1
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-
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|
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1
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+
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|
|
@@ -415,7 +415,7 @@ exports.Loci = Loci;
|
|
|
415
415
|
}
|
|
416
416
|
Loci.extendToWholeChains = extendToWholeChains;
|
|
417
417
|
function entityModelKey(location) {
|
|
418
|
-
return location.unit.model.id
|
|
418
|
+
return "".concat(location.unit.model.id, "|").concat(properties_1.StructureProperties.entity.id(location));
|
|
419
419
|
}
|
|
420
420
|
function extendToWholeEntities(loci) {
|
|
421
421
|
var elements = [];
|
|
@@ -631,7 +631,7 @@ exports.Loci = Loci;
|
|
|
631
631
|
for (var i = 0, il = opData.length; i < il; ++i) {
|
|
632
632
|
var d = opData[i];
|
|
633
633
|
var hash = (0, util_1.hash2)((0, util_1.hashFnv32a)(d.atom.ranges), (0, util_1.hashFnv32a)(d.atom.set));
|
|
634
|
-
var key = hash
|
|
634
|
+
var key = "".concat(hash, "|").concat(d.entity ? (d.entity.modelLabel + d.entity.modelIndex) : '');
|
|
635
635
|
if (opGroups.has(key)) {
|
|
636
636
|
(_a = opGroups.get(key).chain.opName).push.apply(_a, d.chain.opName);
|
|
637
637
|
}
|
|
@@ -1 +1 @@
|
|
|
1
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-
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1
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+
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@@ -11,7 +11,7 @@ var unit_1 = require("../unit");
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var properties_1 = require("../properties");
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function property(p) { return p; }
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exports.property = property;
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14
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-
function _wrongUnitKind(kind) { throw new Error("Property only available for "
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14
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+
function _wrongUnitKind(kind) { throw new Error("Property only available for ".concat(kind, " models.")); }
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function atomicProperty(p) {
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return property(function (l) { return unit_1.Unit.isAtomic(l.unit) ? p(l) : _wrongUnitKind('atomic'); });
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}
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/structure/element/util.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAIH,gCAA+B;AAE/B,4CAAoD;AAWpD,SAAgB,QAAQ,CAAI,CAAc,IAAI,OAAO,CAAC,CAAC,CAAC,CAAC;AAAzD,4BAAyD;AAEzD,SAAS,cAAc,CAAC,IAAY,IAAI,MAAM,IAAI,KAAK,CAAC,
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1
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+
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/**
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* Copyright (c) 2017-
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* Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author David Sehnal <david.sehnal@gmail.com>
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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