molstar 2.3.3 → 2.3.8
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/LICENSE +20 -20
- package/README.md +176 -176
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +94 -88
- package/build/viewer/molstar.css +1 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.d.ts +296 -5
- package/lib/apps/viewer/index.html +94 -88
- package/lib/apps/viewer/index.js +99 -9
- 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.d.ts +4 -4
- 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 +19 -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/docking-viewer/viewport.d.ts +2 -2
- package/lib/commonjs/apps/viewer/index.d.ts +296 -5
- package/lib/commonjs/apps/viewer/index.js +99 -9
- 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.d.ts +6 -6
- 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/cif2bcif/index.js +0 -0
- 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 +19 -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.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
- package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
- package/lib/commonjs/extensions/cellpack/curve.js +2 -2
- package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
- package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
- package/lib/commonjs/extensions/cellpack/model.js +203 -65
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
- package/lib/commonjs/extensions/cellpack/preset.js +12 -15
- package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/property.js +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
- package/lib/commonjs/extensions/cellpack/representation.js +47 -0
- package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
- package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
- package/lib/commonjs/extensions/cellpack/state.js +234 -27
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
- package/lib/commonjs/extensions/cellpack/util.js +34 -6
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +6 -6
- 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 +2 -2
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
- 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/usdz-exporter.js +5 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.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 +6 -6
- 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.d.ts +12 -12
- 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.d.ts +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/validation-report/behavior.d.ts +3 -3
- 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 +25 -10
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +4 -4
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/camera/util.d.ts +4 -3
- package/lib/commonjs/mol-canvas3d/camera/util.js +15 -16
- package/lib/commonjs/mol-canvas3d/camera/util.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/camera.d.ts +11 -3
- package/lib/commonjs/mol-canvas3d/camera.js +21 -1
- package/lib/commonjs/mol-canvas3d/camera.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +18 -8
- package/lib/commonjs/mol-canvas3d/canvas3d.js +11 -5
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +3 -3
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
- 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/helper/interaction-events.d.ts +13 -4
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +43 -9
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +1 -0
- 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/pick.d.ts +5 -2
- package/lib/commonjs/mol-canvas3d/passes/pick.js +17 -3
- package/lib/commonjs/mol-canvas3d/passes/pick.js.map +1 -1
- 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 +3 -3
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +10 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +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/points/points.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -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/text/text.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.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/cylinders.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
- package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
- package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +6 -44
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
- 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/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +3 -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-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/lines.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/points.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 +6 -4
- 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 +6 -3
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
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104
|
+
hetnams.set(het, "".concat(hetnams.get(het), " ").concat(name_1));
|
|
79
105
|
}
|
|
80
106
|
else {
|
|
81
107
|
hetnams.set(het, name_1);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../../src/mol-model-formats/structure/pdb/entity.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAKH,IAAM,IAAI,GAAG;IACT,QAAQ,EAAE,EAAE;IACZ,UAAU,EAAE,EAAE;IACd,OAAO,EAAE,EAAE;IACX,UAAU,EAAE,EAAE;IACd,SAAS,EAAE,EAAE;IACb,IAAI,EAAE,EAAE;IACR,YAAY,EAAE,EAAE;IAChB,UAAU,EAAE,EAAE;IACd,eAAe,EAAE,EAAE;CACtB,CAAC;AAGF,SAAgB,UAAU,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACxE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAI,WAA6B,CAAC;IAClC,IAAI,eAAe,GAAmB,EAAE,MAAM,EAAE,EAAE,EAAE,WAAW,EAAE,EAAE,EAAE,CAAC;IACtE,IAAM,SAAS,GAAqB,EAAE,CAAC;IAEvC,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,qFAAqF;QACrF,yCAAyC;QACzC,wFAAwF;QACxF,uFAAuF;QACvF,qBAAqB;QAErB,IAAM,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QACzC,IAAM,YAAY,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;QACxC,IAAM,SAAS,GAAG,KAAK,CAAC,SAAS,CAAC,CAAC,EAAE,YAAY,CAAC,CAAC;QAEnD,IAAI,KAAK,SAAQ,CAAC;QAElB,IAAI,SAAS,IAAI,IAAI,EAAE;YACnB,WAAW,GAAG,SAAiB,CAAC;YAChC,KAAK,GAAG,KAAK,CAAC,SAAS,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;SAC7C;aAAM;YACH,KAAK,GAAG,KAAK,CAAC;SACjB;QACD,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC;QAEhC,IAAI,WAAW,KAAK,QAAQ,EAAE;YAC1B,eAAe,GAAG;gBACd,MAAM,EAAE,EAAE;gBACV,WAAW,EAAE,EAAE;aAClB,CAAC;YACF,SAAS,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;SACnC;aAAM,IAAI,WAAW,KAAK,UAAU,EAAE;YACnC,IAAI,eAAe,CAAC,WAAW;gBAAE,eAAe,CAAC,WAAW,IAAI,GAAG,CAAC;YACpE,eAAe,CAAC,WAAW,IAAI,KAAK,CAAC;SACxC;aAAM,IAAI,WAAW,KAAK,OAAO,EAAE;YAChC,KAAK,CAAC,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,MAAM,EAAE,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC;SAC9E;KACJ;IAED,OAAO,
|
|
1
|
+
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../../src/mol-model-formats/structure/pdb/entity.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAKH,IAAM,IAAI,GAAG;IACT,QAAQ,EAAE,EAAE;IACZ,UAAU,EAAE,EAAE;IACd,OAAO,EAAE,EAAE;IACX,UAAU,EAAE,EAAE;IACd,SAAS,EAAE,EAAE;IACb,IAAI,EAAE,EAAE;IACR,YAAY,EAAE,EAAE;IAChB,UAAU,EAAE,EAAE;IACd,eAAe,EAAE,EAAE;CACtB,CAAC;AAGF,SAAgB,UAAU,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACxE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAI,WAA6B,CAAC;IAClC,IAAI,eAAe,GAAmB,EAAE,MAAM,EAAE,EAAE,EAAE,WAAW,EAAE,EAAE,EAAE,CAAC;IACtE,IAAM,SAAS,GAAqB,EAAE,CAAC;IAEvC,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,qFAAqF;QACrF,yCAAyC;QACzC,wFAAwF;QACxF,uFAAuF;QACvF,qBAAqB;QAErB,IAAM,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QACzC,IAAM,YAAY,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;QACxC,IAAM,SAAS,GAAG,KAAK,CAAC,SAAS,CAAC,CAAC,EAAE,YAAY,CAAC,CAAC;QAEnD,IAAI,KAAK,SAAQ,CAAC;QAElB,IAAI,SAAS,IAAI,IAAI,EAAE;YACnB,WAAW,GAAG,SAAiB,CAAC;YAChC,KAAK,GAAG,KAAK,CAAC,SAAS,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;SAC7C;aAAM;YACH,KAAK,GAAG,KAAK,CAAC;SACjB;QACD,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC;QAEhC,IAAI,WAAW,KAAK,QAAQ,EAAE;YAC1B,eAAe,GAAG;gBACd,MAAM,EAAE,EAAE;gBACV,WAAW,EAAE,EAAE;aAClB,CAAC;YACF,SAAS,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;SACnC;aAAM,IAAI,WAAW,KAAK,UAAU,EAAE;YACnC,IAAI,eAAe,CAAC,WAAW;gBAAE,eAAe,CAAC,WAAW,IAAI,GAAG,CAAC;YACpE,eAAe,CAAC,WAAW,IAAI,KAAK,CAAC;SACxC;aAAM,IAAI,WAAW,KAAK,OAAO,EAAE;YAChC,KAAK,CAAC,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,MAAM,EAAE,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC;SAC9E;KACJ;IAED,yCAAyC;IACzC,yCAAyC;IACzC,EAAE;IACF,iFAAiF;IACjF,EAAE;IACF,iFAAiF;IACjF,kFAAkF;IAClF,0FAA0F;IAC1F,mFAAmF;IACnF,EAAE;IACF,gFAAgF;IAChF,8FAA8F;IAC9F,wEAAwE;IACxE,EAAE;IACF,mEAAmE;IACnE,IAAM,UAAU,GAAqB,EAAE,CAAC;IACxC,KAAmB,UAAS,EAAT,uBAAS,EAAT,uBAAS,EAAT,IAAS,EAAE;QAAzB,IAAM,IAAI,kBAAA;QACX,KAAoB,UAAW,EAAX,KAAA,IAAI,CAAC,MAAM,EAAX,cAAW,EAAX,IAAW,EAAE;YAA5B,IAAM,KAAK,SAAA;YACZ,UAAU,CAAC,IAAI,CAAC;gBACZ,WAAW,EAAE,IAAI,CAAC,WAAW;gBAC7B,MAAM,EAAE,CAAC,KAAK,CAAC;aAClB,CAAC,CAAC;SACN;KACJ;IACD,OAAO,UAAU,CAAC;AACtB,CAAC;AArED,gCAqEC;AAED,SAAgB,WAAW,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACzE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAM,OAAO,GAAG,IAAI,GAAG,EAAkB,CAAC;IAE1C,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,+EAA+E;QAC/E,uCAAuC;QACvC,wFAAwF;QACxF,+EAA+E;QAC/E,6DAA6D;QAE7D,IAAM,GAAG,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;QACtC,IAAM,MAAI,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QAEpC,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE;YAClB,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,UAAG,OAAO,CAAC,GAAG,CAAC,GAAG,CAAE,cAAI,MAAI,CAAE,CAAC,CAAC;SACpD;aAAM;YACH,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,MAAI,CAAC,CAAC;SAC1B;KACJ;IAED,OAAO,OAAO,CAAC;AACnB,CAAC;AAzBD,kCAyBC"}
|
|
@@ -95,7 +95,7 @@ function getAssemblyOperators(matrices, operatorNames, startIndex, assemblyId) {
|
|
|
95
95
|
linear_algebra_1.Mat4.mul(m, m, matrices.get(op[i]));
|
|
96
96
|
}
|
|
97
97
|
index++;
|
|
98
|
-
operators[operators.length] = symmetry_operator_1.SymmetryOperator.create("ASM_"
|
|
98
|
+
operators[operators.length] = symmetry_operator_1.SymmetryOperator.create("ASM_".concat(index), m, { assembly: { id: assemblyId, operId: index, operList: op } });
|
|
99
99
|
}
|
|
100
100
|
return operators;
|
|
101
101
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"assembly.js","sourceRoot":"","sources":["../../../../../src/mol-model-formats/structure/property/assembly.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,mEAAsE;AACtE,kFAAgF;AAChF,mFAAiH;AACjH,0DAA4D;AAC5D,0DAAmE;AAQnE,SAAgB,gBAAgB,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,qBAAqC;IACrJ,IAAI,CAAC,oBAAoB,CAAC,SAAS;QAAE,OAAO,EAAE,CAAC;IAE/C,IAAM,QAAQ,GAAG,WAAW,CAAC,qBAAqB,CAAC,CAAC;IACpD,IAAM,UAAU,GAAe,EAAE,CAAC;IAClC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,oBAAoB,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QACrD,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG,cAAc,CAAC,oBAAoB,EAAE,wBAAwB,EAAE,CAAC,EAAE,QAAQ,CAAC,CAAC;KAC/G;IACD,OAAO,UAAU,CAAC;AACtB,CAAC;AATD,4CASC;AAKD,SAAS,cAAc,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,KAAa,EAAE,QAAkB;IACxI,IAAM,EAAE,GAAG,oBAAoB,CAAC,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAChD,IAAM,OAAO,GAAG,oBAAoB,CAAC,OAAO,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAC1D,IAAM,UAAU,GAAgB,EAAE,CAAC;IAE3B,IAAA,WAAW,GAAoC,wBAAwB,YAA5D,EAAE,eAAe,GAAmB,wBAAwB,gBAA3C,EAAE,YAAY,GAAK,wBAAwB,aAA7B,CAA8B;IAEhF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,wBAAwB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAClE,IAAI,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,EAAE;YAAE,SAAS;QAC1C,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG;YAC5B,UAAU,EAAE,EAAE;YACd,UAAU,EAAE,eAAe,CAAC,KAAK,CAAC,CAAC,CAAC;YACpC,OAAO,EAAE,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;SACjC,CAAC;KACL;IAED,OAAO,mBAAQ,CAAC,MAAM,CAAC,EAAE,EAAE,OAAO,EAAE,sBAAsB,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;AACtF,CAAC;AAED,SAAS,sBAAsB,CAAC,UAAuB,EAAE,QAAkB;IACvE,OAAO;QACH,IAAM,MAAM,GAAoB,EAAE,CAAC;QAEnC,IAAI,cAAc,GAAG,CAAC,CAAC;QACvB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,UAAU,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACxC,IAAM,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC;YAC1B,IAAM,YAAY,GAAG,iBAAiB,CAAC,GAAG,CAAC,UAAU,CAAC,CAAC;YACvD,IAAM,aAAa,GAAG,eAAe,CAAC,YAAY,CAAC,CAAC;YACpD,IAAM,SAAS,GAAG,oBAAoB,CAAC,QAAQ,EAAE,aAAa,EAAE,cAAc,EAAE,GAAG,CAAC,UAAU,CAAC,CAAC;YAChG,IAAM,QAAQ,GAAG,mBAAC,CAAC,UAAU,CAAC,KAAK,CAAC,EAAE,SAAS,EAAE,mBAAC,CAAC,IAAI,CAAC,GAAG,CACvD,mBAAC,CAAC,IAAI,CAAC,EAAE,CAAC,UAAA,GAAG,IAAI,OAAA,+BAAmB,CAAC,IAAI,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAAnD,CAAmD,EAAE,oCAAgB,CAAC,WAAW,CAAC,EACnG,mBAAC,CAAC,IAAI,CAAC,KAAK,CAAC,UAAA,GAAG,IAAI,OAAA,+BAAmB,CAAC,KAAK,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAApD,CAAoD,EAAE,GAAG,CAAC,OAAO,CAAC,CACzF,EAAE,CAAC,CAAC;YACL,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,EAAE,QAAQ,UAAA,EAAE,SAAS,WAAA,EAAE,CAAC;YAChD,cAAc,IAAI,SAAS,CAAC,MAAM,CAAC;SACtC;QAED,OAAO,MAAM,CAAC;IAClB,CAAC,CAAC;AACN,CAAC;AAED,SAAS,WAAW,CAAC,qBAAqC;IAC9C,IAAA,EAAE,GAA8B,qBAAqB,GAAnD,EAAE,MAAM,GAAsB,qBAAqB,OAA3C,EAAE,MAAM,GAAc,qBAAqB,OAAnC,EAAE,OAAO,GAAK,qBAAqB,QAA1B,CAA2B;IAC9D,IAAM,QAAQ,GAAG,IAAI,GAAG,EAAgB,CAAC;IAEzC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,qBAAqB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAC/D,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,qBAAI,CAAC,cAAc,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,qBAAI,CAAC,QAAQ,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;KAChC;IAED,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,eAAe,CAAC,YAAwB;IAC7C,IAAM,GAAG,GAAe,EAAE,CAAC;IAC3B,IAAM,SAAS,GAAa,EAAE,CAAC;IAC/B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,CAAC,MAAM,EAAE,CAAC,EAAE;QAAE,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC;IAChE,gBAAgB,CAAC,YAAY,EAAE,GAAG,EAAE,YAAY,CAAC,MAAM,GAAG,CAAC,EAAE,SAAS,CAAC,CAAC;IACxE,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,gBAAgB,CAAC,aAAyB,EAAE,IAAgB,EAAE,CAAS,EAAE,OAAiB;IAC/F,IAAI,CAAC,GAAG,CAAC,EAAE;QACP,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QACrC,OAAO;KACV;IAED,IAAM,GAAG,GAAG,aAAa,CAAC,CAAC,CAAC,EAAE,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC;IAC/C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,EAAE,CAAC,EAAE,EAAE;QAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,GAAG,CAAC,CAAC,CAAC,CAAC;QACpB,gBAAgB,CAAC,aAAa,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE,OAAO,CAAC,CAAC;KACzD;AACL,CAAC;AAED,SAAS,oBAAoB,CAAC,QAAkB,EAAE,aAAyB,EAAE,UAAkB,EAAE,UAAkB;IAC/G,IAAM,SAAS,GAAuB,EAAE,CAAC;IAEzC,IAAI,KAAK,GAAG,UAAU,CAAC;IACvB,KAAiB,UAAa,EAAb,+BAAa,EAAb,2BAAa,EAAb,IAAa,EAAE;QAA3B,IAAM,EAAE,sBAAA;QACT,IAAM,CAAC,GAAG,qBAAI,CAAC,QAAQ,EAAE,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YAChC,qBAAI,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,EAAE,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,CAAE,CAAC,CAAC;SACxC;QACD,KAAK,EAAE,CAAC;QACR,SAAS,CAAC,SAAS,CAAC,MAAM,CAAC,GAAG,oCAAgB,CAAC,MAAM,CAAC,
|
|
1
|
+
{"version":3,"file":"assembly.js","sourceRoot":"","sources":["../../../../../src/mol-model-formats/structure/property/assembly.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,mEAAsE;AACtE,kFAAgF;AAChF,mFAAiH;AACjH,0DAA4D;AAC5D,0DAAmE;AAQnE,SAAgB,gBAAgB,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,qBAAqC;IACrJ,IAAI,CAAC,oBAAoB,CAAC,SAAS;QAAE,OAAO,EAAE,CAAC;IAE/C,IAAM,QAAQ,GAAG,WAAW,CAAC,qBAAqB,CAAC,CAAC;IACpD,IAAM,UAAU,GAAe,EAAE,CAAC;IAClC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,oBAAoB,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QACrD,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG,cAAc,CAAC,oBAAoB,EAAE,wBAAwB,EAAE,CAAC,EAAE,QAAQ,CAAC,CAAC;KAC/G;IACD,OAAO,UAAU,CAAC;AACtB,CAAC;AATD,4CASC;AAKD,SAAS,cAAc,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,KAAa,EAAE,QAAkB;IACxI,IAAM,EAAE,GAAG,oBAAoB,CAAC,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAChD,IAAM,OAAO,GAAG,oBAAoB,CAAC,OAAO,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAC1D,IAAM,UAAU,GAAgB,EAAE,CAAC;IAE3B,IAAA,WAAW,GAAoC,wBAAwB,YAA5D,EAAE,eAAe,GAAmB,wBAAwB,gBAA3C,EAAE,YAAY,GAAK,wBAAwB,aAA7B,CAA8B;IAEhF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,wBAAwB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAClE,IAAI,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,EAAE;YAAE,SAAS;QAC1C,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG;YAC5B,UAAU,EAAE,EAAE;YACd,UAAU,EAAE,eAAe,CAAC,KAAK,CAAC,CAAC,CAAC;YACpC,OAAO,EAAE,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;SACjC,CAAC;KACL;IAED,OAAO,mBAAQ,CAAC,MAAM,CAAC,EAAE,EAAE,OAAO,EAAE,sBAAsB,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;AACtF,CAAC;AAED,SAAS,sBAAsB,CAAC,UAAuB,EAAE,QAAkB;IACvE,OAAO;QACH,IAAM,MAAM,GAAoB,EAAE,CAAC;QAEnC,IAAI,cAAc,GAAG,CAAC,CAAC;QACvB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,UAAU,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACxC,IAAM,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC;YAC1B,IAAM,YAAY,GAAG,iBAAiB,CAAC,GAAG,CAAC,UAAU,CAAC,CAAC;YACvD,IAAM,aAAa,GAAG,eAAe,CAAC,YAAY,CAAC,CAAC;YACpD,IAAM,SAAS,GAAG,oBAAoB,CAAC,QAAQ,EAAE,aAAa,EAAE,cAAc,EAAE,GAAG,CAAC,UAAU,CAAC,CAAC;YAChG,IAAM,QAAQ,GAAG,mBAAC,CAAC,UAAU,CAAC,KAAK,CAAC,EAAE,SAAS,EAAE,mBAAC,CAAC,IAAI,CAAC,GAAG,CACvD,mBAAC,CAAC,IAAI,CAAC,EAAE,CAAC,UAAA,GAAG,IAAI,OAAA,+BAAmB,CAAC,IAAI,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAAnD,CAAmD,EAAE,oCAAgB,CAAC,WAAW,CAAC,EACnG,mBAAC,CAAC,IAAI,CAAC,KAAK,CAAC,UAAA,GAAG,IAAI,OAAA,+BAAmB,CAAC,KAAK,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAApD,CAAoD,EAAE,GAAG,CAAC,OAAO,CAAC,CACzF,EAAE,CAAC,CAAC;YACL,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,EAAE,QAAQ,UAAA,EAAE,SAAS,WAAA,EAAE,CAAC;YAChD,cAAc,IAAI,SAAS,CAAC,MAAM,CAAC;SACtC;QAED,OAAO,MAAM,CAAC;IAClB,CAAC,CAAC;AACN,CAAC;AAED,SAAS,WAAW,CAAC,qBAAqC;IAC9C,IAAA,EAAE,GAA8B,qBAAqB,GAAnD,EAAE,MAAM,GAAsB,qBAAqB,OAA3C,EAAE,MAAM,GAAc,qBAAqB,OAAnC,EAAE,OAAO,GAAK,qBAAqB,QAA1B,CAA2B;IAC9D,IAAM,QAAQ,GAAG,IAAI,GAAG,EAAgB,CAAC;IAEzC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,qBAAqB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAC/D,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,qBAAI,CAAC,cAAc,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,qBAAI,CAAC,QAAQ,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;KAChC;IAED,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,eAAe,CAAC,YAAwB;IAC7C,IAAM,GAAG,GAAe,EAAE,CAAC;IAC3B,IAAM,SAAS,GAAa,EAAE,CAAC;IAC/B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,CAAC,MAAM,EAAE,CAAC,EAAE;QAAE,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC;IAChE,gBAAgB,CAAC,YAAY,EAAE,GAAG,EAAE,YAAY,CAAC,MAAM,GAAG,CAAC,EAAE,SAAS,CAAC,CAAC;IACxE,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,gBAAgB,CAAC,aAAyB,EAAE,IAAgB,EAAE,CAAS,EAAE,OAAiB;IAC/F,IAAI,CAAC,GAAG,CAAC,EAAE;QACP,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QACrC,OAAO;KACV;IAED,IAAM,GAAG,GAAG,aAAa,CAAC,CAAC,CAAC,EAAE,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC;IAC/C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,EAAE,CAAC,EAAE,EAAE;QAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,GAAG,CAAC,CAAC,CAAC,CAAC;QACpB,gBAAgB,CAAC,aAAa,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE,OAAO,CAAC,CAAC;KACzD;AACL,CAAC;AAED,SAAS,oBAAoB,CAAC,QAAkB,EAAE,aAAyB,EAAE,UAAkB,EAAE,UAAkB;IAC/G,IAAM,SAAS,GAAuB,EAAE,CAAC;IAEzC,IAAI,KAAK,GAAG,UAAU,CAAC;IACvB,KAAiB,UAAa,EAAb,+BAAa,EAAb,2BAAa,EAAb,IAAa,EAAE;QAA3B,IAAM,EAAE,sBAAA;QACT,IAAM,CAAC,GAAG,qBAAI,CAAC,QAAQ,EAAE,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YAChC,qBAAI,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,EAAE,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,CAAE,CAAC,CAAC;SACxC;QACD,KAAK,EAAE,CAAC;QACR,SAAS,CAAC,SAAS,CAAC,MAAM,CAAC,GAAG,oCAAgB,CAAC,MAAM,CAAC,cAAO,KAAK,CAAE,EAAE,CAAC,EAAE,EAAE,QAAQ,EAAE,EAAE,EAAE,EAAE,UAAU,EAAE,MAAM,EAAE,KAAK,EAAE,QAAQ,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;KAC3I;IAED,OAAO,SAAS,CAAC;AACrB,CAAC;AAED,SAAS,iBAAiB,CAAC,KAAa;IACpC,0DAA0D;IAC1D,4BAA4B;IAE5B,IAAM,OAAO,GAAG,qBAAqB,EAAE,MAAM,GAAa,EAAE,EAAE,GAAG,GAAe,EAAE,CAAC;IAEnF,IAAI,CAAM,CAAC;IACX,OAAO,CAAC,GAAG,OAAO,CAAC,IAAI,CAAC,KAAK,CAAC;QAAE,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;IAE7D,MAAM,CAAC,OAAO,CAAC,UAAA,CAAC;QACZ,IAAM,KAAK,GAAa,EAAE,CAAC;QAC3B,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,OAAO,CAAC,UAAA,CAAC;YAClB,IAAM,SAAS,GAAG,CAAC,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;YACjC,IAAI,SAAS,GAAG,CAAC,EAAE;gBACf,IAAM,IAAI,GAAG,QAAQ,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,EAAE,SAAS,CAAC,CAAC,EAAE,EAAE,GAAG,QAAQ,CAAC,CAAC,CAAC,MAAM,CAAC,SAAS,GAAG,CAAC,CAAC,CAAC,CAAC;gBACzF,KAAK,IAAI,CAAC,GAAG,IAAI,EAAE,CAAC,IAAI,EAAE,EAAE,CAAC,EAAE;oBAAE,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,QAAQ,EAAE,CAAC;aACvE;iBAAM;gBACH,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,IAAI,EAAE,CAAC;aAClC;QACL,CAAC,CAAC,CAAC;QACH,GAAG,CAAC,GAAG,CAAC,MAAM,CAAC,GAAG,KAAK,CAAC;IAC5B,CAAC,CAAC,CAAC;IAEH,OAAO,GAAG,CAAC;AACf,CAAC"}
|
|
@@ -70,7 +70,7 @@ function getNcsOperators(struct_ncs_oper) {
|
|
|
70
70
|
if (struct_ncs_oper.code.value(i) === 'given' && !linear_algebra_1.Mat3.isIdentity(m) && !linear_algebra_1.Vec3.isZero(v))
|
|
71
71
|
continue;
|
|
72
72
|
var ncsId = id.value(i);
|
|
73
|
-
opers[opers.length] = geometry_1.SymmetryOperator.ofRotationAndOffset("ncs_"
|
|
73
|
+
opers[opers.length] = geometry_1.SymmetryOperator.ofRotationAndOffset("ncs_".concat(ncsId), m, v, ncsId);
|
|
74
74
|
}
|
|
75
75
|
return opers;
|
|
76
76
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../../src/mol-model-formats/structure/property/symmetry.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAEH,iEAAuE;AACvE,uDAA0F;AAC1F,mEAAsE;AAEtE,uCAA8C;AAE9C,+CAA4D;AAK5D,IAAU,aAAa,CA6BtB;AA7BD,WAAU,aAAa;IACN,wBAAU,GAA6B;QAChD,IAAI,EAAE,gBAAgB;KACzB,CAAC;IAEW,sBAAQ,GAAG,iCAAsB,CAAC,MAAM,CAAW,cAAA,UAAU,CAAC,CAAC;IAY5E,SAAgB,QAAQ,CAAC,IAAU;QAC/B,IAAM,UAAU,GAAG,IAAA,2BAAgB,EAAC,IAAI,CAAC,oBAAoB,EAAE,IAAI,CAAC,wBAAwB,EAAE,IAAI,CAAC,qBAAqB,CAAC,CAAC;QAC1H,IAAM,UAAU,GAAG,aAAa,CAAC,IAAI,CAAC,QAAQ,EAAE,IAAI,CAAC,IAAI,CAAC,CAAC;QAC3D,IAAM,yBAAyB,GAAG,4BAA4B,CAAC,IAAI,CAAC,UAAU,EAAE,UAAU,CAAC,CAAC;QAC5F,OAAO,EAAE,UAAU,YAAA,EAAE,UAAU,YAAA,EAAE,yBAAyB,2BAAA,EAAE,YAAY,EAAE,eAAe,CAAC,IAAI,CAAC,eAAe,CAAC,EAAE,CAAC;IACtH,CAAC;IALe,sBAAQ,WAKvB,CAAA;IAED,SAAgB,QAAQ,CAAC,IAAU,EAAE,eAAqB;QACtD,IAAM,SAAS,GAAG,yBAAc,CAAC,MAAM,CAAC,KAAK,EAAE,IAAI,EAAE,eAAe,CAAC,CAAC;QACtE,IAAM,UAAU,GAAG,qBAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;QAChD,OAAO,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,YAAA,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAC5E,CAAC;IAJe,sBAAQ,WAIvB,CAAA;AACL,CAAC,EA7BS,aAAa,KAAb,aAAa,QA6BtB;AA/BQ,sCAAa;AAiCtB,SAAS,4BAA4B,CAAC,UAA6C,EAAE,UAAsB;IACvG,IAAI,UAAU,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC;IAC7C,0FAA0F;IAC1F,OAAO,KAAK,CAAC;AACjB,CAAC;AAED,SAAS,yBAAyB,CAAC,QAAyC;IACxE,IAAM,WAAW,GAAG,QAAQ,CAAC,mBAAmB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC3D,IAAM,SAAS,GAAG,QAAQ,CAAC,sBAAsB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC5D,IAAI,CAAC,QAAQ,CAAC,mBAAmB,CAAC,CAAC,SAAS;QAAE,OAAO,SAAS,CAAC;IAC/D,IAAI,CAAC,QAAQ,CAAC,sBAAsB,CAAC,CAAC,SAAS;QAAE,OAAO,WAAW,CAAC;IACpE,OAAO,SAAS,CAAC;AACrB,CAAC;AAED,SAAS,aAAa,CAAC,QAAyC,EAAE,IAAiC;IAC/F,IAAI,QAAQ,CAAC,SAAS,KAAK,CAAC,IAAI,IAAI,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,qBAAU,CAAC,MAAM,CAAC;IAC/E,IAAM,YAAY,GAAG,yBAAyB,CAAC,QAAQ,CAAC,CAAC;IACzD,IAAM,SAAS,GAAG,yBAAc,CAAC,MAAM,CAAC,YAAY,EAChD,qBAAI,CAAC,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EACnF,qBAAI,CAAC,KAAK,CAAC,qBAAI,CAAC,IAAI,EAAE,EAAE,qBAAI,CAAC,MAAM,CAAC,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,GAAG,CAAC,CAAC,CAAC;IAEzI,OAAO,qBAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;AACxC,CAAC;AAED,SAAS,eAAe,CAAC,eAAuD;IAC5E,IAAI,eAAe,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC,CAAC;IAC3C,IAAA,EAAE,GAAqB,eAAe,GAApC,EAAE,MAAM,GAAa,eAAe,OAA5B,EAAE,MAAM,GAAK,eAAe,OAApB,CAAqB;IAE/C,IAAM,WAAW,GAAG,oBAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,EAAE,WAAW,GAAG,oBAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,CAAC;IAEvH,IAAM,KAAK,GAAuB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,eAAe,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QAChD,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAI,CAAC,2BAAgB,CAAC,6BAA6B,CAAC,CAAC,EAAE,CAAC,CAAC;YAAE,SAAS;QACpE,4CAA4C;QAC5C,IAAI,eAAe,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,OAAO,IAAI,CAAC,qBAAI,CAAC,UAAU,CAAC,CAAC,CAAC,IAAI,CAAC,qBAAI,CAAC,MAAM,CAAC,CAAC,CAAC;YAAE,SAAS;QAClG,IAAM,KAAK,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAC1B,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,2BAAgB,CAAC,mBAAmB,CAAC,
|
|
1
|
+
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../../src/mol-model-formats/structure/property/symmetry.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAEH,iEAAuE;AACvE,uDAA0F;AAC1F,mEAAsE;AAEtE,uCAA8C;AAE9C,+CAA4D;AAK5D,IAAU,aAAa,CA6BtB;AA7BD,WAAU,aAAa;IACN,wBAAU,GAA6B;QAChD,IAAI,EAAE,gBAAgB;KACzB,CAAC;IAEW,sBAAQ,GAAG,iCAAsB,CAAC,MAAM,CAAW,cAAA,UAAU,CAAC,CAAC;IAY5E,SAAgB,QAAQ,CAAC,IAAU;QAC/B,IAAM,UAAU,GAAG,IAAA,2BAAgB,EAAC,IAAI,CAAC,oBAAoB,EAAE,IAAI,CAAC,wBAAwB,EAAE,IAAI,CAAC,qBAAqB,CAAC,CAAC;QAC1H,IAAM,UAAU,GAAG,aAAa,CAAC,IAAI,CAAC,QAAQ,EAAE,IAAI,CAAC,IAAI,CAAC,CAAC;QAC3D,IAAM,yBAAyB,GAAG,4BAA4B,CAAC,IAAI,CAAC,UAAU,EAAE,UAAU,CAAC,CAAC;QAC5F,OAAO,EAAE,UAAU,YAAA,EAAE,UAAU,YAAA,EAAE,yBAAyB,2BAAA,EAAE,YAAY,EAAE,eAAe,CAAC,IAAI,CAAC,eAAe,CAAC,EAAE,CAAC;IACtH,CAAC;IALe,sBAAQ,WAKvB,CAAA;IAED,SAAgB,QAAQ,CAAC,IAAU,EAAE,eAAqB;QACtD,IAAM,SAAS,GAAG,yBAAc,CAAC,MAAM,CAAC,KAAK,EAAE,IAAI,EAAE,eAAe,CAAC,CAAC;QACtE,IAAM,UAAU,GAAG,qBAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;QAChD,OAAO,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,YAAA,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAC5E,CAAC;IAJe,sBAAQ,WAIvB,CAAA;AACL,CAAC,EA7BS,aAAa,KAAb,aAAa,QA6BtB;AA/BQ,sCAAa;AAiCtB,SAAS,4BAA4B,CAAC,UAA6C,EAAE,UAAsB;IACvG,IAAI,UAAU,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC;IAC7C,0FAA0F;IAC1F,OAAO,KAAK,CAAC;AACjB,CAAC;AAED,SAAS,yBAAyB,CAAC,QAAyC;IACxE,IAAM,WAAW,GAAG,QAAQ,CAAC,mBAAmB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC3D,IAAM,SAAS,GAAG,QAAQ,CAAC,sBAAsB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC5D,IAAI,CAAC,QAAQ,CAAC,mBAAmB,CAAC,CAAC,SAAS;QAAE,OAAO,SAAS,CAAC;IAC/D,IAAI,CAAC,QAAQ,CAAC,sBAAsB,CAAC,CAAC,SAAS;QAAE,OAAO,WAAW,CAAC;IACpE,OAAO,SAAS,CAAC;AACrB,CAAC;AAED,SAAS,aAAa,CAAC,QAAyC,EAAE,IAAiC;IAC/F,IAAI,QAAQ,CAAC,SAAS,KAAK,CAAC,IAAI,IAAI,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,qBAAU,CAAC,MAAM,CAAC;IAC/E,IAAM,YAAY,GAAG,yBAAyB,CAAC,QAAQ,CAAC,CAAC;IACzD,IAAM,SAAS,GAAG,yBAAc,CAAC,MAAM,CAAC,YAAY,EAChD,qBAAI,CAAC,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EACnF,qBAAI,CAAC,KAAK,CAAC,qBAAI,CAAC,IAAI,EAAE,EAAE,qBAAI,CAAC,MAAM,CAAC,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,GAAG,CAAC,CAAC,CAAC;IAEzI,OAAO,qBAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;AACxC,CAAC;AAED,SAAS,eAAe,CAAC,eAAuD;IAC5E,IAAI,eAAe,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC,CAAC;IAC3C,IAAA,EAAE,GAAqB,eAAe,GAApC,EAAE,MAAM,GAAa,eAAe,OAA5B,EAAE,MAAM,GAAK,eAAe,OAApB,CAAqB;IAE/C,IAAM,WAAW,GAAG,oBAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,EAAE,WAAW,GAAG,oBAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,CAAC;IAEvH,IAAM,KAAK,GAAuB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,eAAe,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QAChD,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAM,CAAC,GAAG,uBAAM,CAAC,MAAM,CAAC,IAAA,qBAAI,GAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAI,CAAC,2BAAgB,CAAC,6BAA6B,CAAC,CAAC,EAAE,CAAC,CAAC;YAAE,SAAS;QACpE,4CAA4C;QAC5C,IAAI,eAAe,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,OAAO,IAAI,CAAC,qBAAI,CAAC,UAAU,CAAC,CAAC,CAAC,IAAI,CAAC,qBAAI,CAAC,MAAM,CAAC,CAAC,CAAC;YAAE,SAAS;QAClG,IAAM,KAAK,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAC1B,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,2BAAgB,CAAC,mBAAmB,CAAC,cAAO,KAAK,CAAE,EAAE,CAAC,EAAE,CAAC,EAAE,KAAK,CAAC,CAAC;KAC3F;IACD,OAAO,KAAK,CAAC;AACjB,CAAC"}
|
|
@@ -33,7 +33,7 @@ function getTypedArrayCtor(header) {
|
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|
33
33
|
case typed_array_1.TypedArrayValueType.Int16: return Int16Array;
|
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34
34
|
case typed_array_1.TypedArrayValueType.Uint16: return Uint16Array;
|
|
35
35
|
}
|
|
36
|
-
throw Error(valueType
|
|
36
|
+
throw Error("".concat(valueType, " is not a supported value format."));
|
|
37
37
|
}
|
|
38
38
|
function volumeFromCcp4(source, params) {
|
|
39
39
|
var _this = this;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"ccp4.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/volume/ccp4.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAGH,2CAAsC;AACtC,oDAAgE;AAChE,gEAA6D;AAE7D,4CAA+C;AAC/C,0DAAmE;AACnE,+DAAsE;AACtE,8CAA+E;AAE/E,mEAAmE;AAEnE,mFAAmF;AACnF,SAAgB,aAAa,CAAC,MAAkB;IAC5C,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,EAAE;QAC5E,OAAO,qBAAI,CAAC,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,CAAC,CAAC;KACtE;SAAM;QACH,OAAO,qBAAI,CAAC,MAAM,CACd,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,CAChD,CAAC;KACL;AACL,CAAC;AAVD,sCAUC;AAED,SAAS,iBAAiB,CAAC,MAAkB;IACzC,IAAM,SAAS,GAAG,IAAA,yBAAgB,EAAC,MAAM,CAAC,CAAC;IAC3C,QAAQ,SAAS,EAAE;QACf,KAAK,iCAAmB,CAAC,OAAO,CAAC,CAAC,OAAO,YAAY,CAAC;QACtD,KAAK,iCAAmB,CAAC,IAAI,CAAC,CAAC,OAAO,SAAS,CAAC;QAChD,KAAK,iCAAmB,CAAC,KAAK,CAAC,CAAC,OAAO,UAAU,CAAC;QAClD,KAAK,iCAAmB,CAAC,MAAM,CAAC,CAAC,OAAO,WAAW,CAAC;KACvD;IACD,MAAM,KAAK,
|
|
1
|
+
{"version":3,"file":"ccp4.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/volume/ccp4.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAGH,2CAAsC;AACtC,oDAAgE;AAChE,gEAA6D;AAE7D,4CAA+C;AAC/C,0DAAmE;AACnE,+DAAsE;AACtE,8CAA+E;AAE/E,mEAAmE;AAEnE,mFAAmF;AACnF,SAAgB,aAAa,CAAC,MAAkB;IAC5C,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,EAAE;QAC5E,OAAO,qBAAI,CAAC,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,CAAC,CAAC;KACtE;SAAM;QACH,OAAO,qBAAI,CAAC,MAAM,CACd,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,CAChD,CAAC;KACL;AACL,CAAC;AAVD,sCAUC;AAED,SAAS,iBAAiB,CAAC,MAAkB;IACzC,IAAM,SAAS,GAAG,IAAA,yBAAgB,EAAC,MAAM,CAAC,CAAC;IAC3C,QAAQ,SAAS,EAAE;QACf,KAAK,iCAAmB,CAAC,OAAO,CAAC,CAAC,OAAO,YAAY,CAAC;QACtD,KAAK,iCAAmB,CAAC,IAAI,CAAC,CAAC,OAAO,SAAS,CAAC;QAChD,KAAK,iCAAmB,CAAC,KAAK,CAAC,CAAC,OAAO,UAAU,CAAC;QAClD,KAAK,iCAAmB,CAAC,MAAM,CAAC,CAAC,OAAO,WAAW,CAAC;KACvD;IACD,MAAM,KAAK,CAAC,UAAG,SAAS,sCAAmC,CAAC,CAAC;AACjE,CAAC;AAED,SAAgB,cAAc,CAAC,MAAgB,EAAE,MAA8E;IAA/H,iBAiDC;IAhDG,OAAO,eAAI,CAAC,MAAM,CAAS,eAAe,EAAE,UAAM,GAAG;;;YACzC,MAAM,GAAa,MAAM,OAAnB,EAAE,MAAM,GAAK,MAAM,OAAX,CAAY;YAC5B,IAAI,GAAG,qBAAI,CAAC,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,CAAC,CAAC;YACzE,IAAI,MAAM,IAAI,MAAM,CAAC,SAAS;gBAAE,qBAAI,CAAC,GAAG,CAAC,IAAI,EAAE,IAAI,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC;YACjE,MAAM,GAAG,qBAAI,CAAC,MAAM,CAAC,IAAA,eAAQ,EAAC,MAAM,CAAC,KAAK,CAAC,EAAE,IAAA,eAAQ,EAAC,MAAM,CAAC,IAAI,CAAC,EAAE,IAAA,eAAQ,EAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;YAC5F,UAAU,GAAG,MAAM,CAAC,IAAI,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC;YACnD,IAAI,GAAG,yBAAc,CAAC,MAAM,CAAC,UAAU,IAAI,KAAK,EAAE,IAAI,EAAE,MAAM,CAAC,CAAC;YAEhE,uBAAuB,GAAG,qBAAI,CAAC,MAAM,CAAC,MAAM,CAAC,IAAI,GAAG,CAAC,EAAE,MAAM,CAAC,IAAI,GAAG,CAAC,EAAE,MAAM,CAAC,IAAI,GAAG,CAAC,CAAC,CAAC;YACzF,cAAc,GAAG,uBAAM,CAAC,uCAAuC,CAAC,uBAAuB,CAAC,CAAC;YAEzF,IAAI,GAAG,CAAC,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,CAAC,CAAC;YACzC,MAAM,GAAG,cAAc,CAAC,CAAC,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC;YAC3D,MAAM,GAAG,aAAa,CAAC,MAAM,CAAC,CAAC;YACrC,IAAI,MAAM,aAAN,MAAM,uBAAN,MAAM,CAAE,MAAM;gBAAE,qBAAI,CAAC,GAAG,CAAC,MAAM,EAAE,MAAM,EAAE,MAAM,CAAC,MAAM,CAAC,CAAC;YACtD,UAAU,GAAG,cAAc,CAAC,MAAM,CAAC,CAAC;YAEpC,WAAW,GAAG,qBAAI,CAAC,MAAM,CAAC,UAAU,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,UAAU,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,UAAU,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;YACrG,eAAe,GAAG,qBAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;YAE7F,KAAK,GAAG,uBAAM,CAAC,KAAK,CAAC,MAAM,EAAE,uBAAM,CAAC,eAAe,CAAC,uBAAuB,CAAC,EAAE,iBAAiB,CAAC,MAAM,CAAC,CAAC,CAAC;YACzG,IAAI,GAAG,uBAAM,CAAC,MAAM,CAAC,KAAK,EAAE,uBAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC;YAOlD,SAAS,GAAG,MAAM,CAAC,IAAI,KAAK,CAAC,IAAI,MAAM,CAAC,IAAI,KAAK,CAAC,IAAI,MAAM,CAAC,KAAK,KAAK,CAAC,IAAI,MAAM,CAAC,IAAI,KAAK,CAAC,CAAC;YAEpG,sBAAO;oBACH,KAAK,EAAE,MAAM,aAAN,MAAM,uBAAN,MAAM,CAAE,KAAK;oBACpB,OAAO,EAAE,MAAM,aAAN,MAAM,uBAAN,MAAM,CAAE,OAAO;oBACxB,IAAI,EAAE;wBACF,SAAS,EAAE,EAAE,IAAI,EAAE,YAAY,EAAE,IAAI,MAAA,EAAE,aAAa,EAAE,gBAAK,CAAC,MAAM,CAAC,WAAW,EAAE,qBAAI,CAAC,GAAG,CAAC,qBAAI,CAAC,IAAI,EAAE,EAAE,WAAW,EAAE,eAAe,CAAC,CAAC,EAAE;wBACtI,KAAK,EAAE,IAAI;wBACX,KAAK,EAAE;4BACH,GAAG,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC,CAAC,IAAA,gBAAQ,EAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI;4BACvE,GAAG,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC,CAAC,IAAA,gBAAQ,EAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI;4BACvE,IAAI,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,KAAK,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC,CAAC,IAAA,iBAAS,EAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,KAAK;4BAC3E,KAAK,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,MAAM,CAAC,IAAI,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,IAAA,gBAAQ,EAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI;yBACpF;qBACJ;oBACD,UAAU,EAAE,UAAU,CAAC,MAAM,CAAC,MAAM,CAAC;oBACrC,gBAAgB,EAAE,IAAI,kCAAgB,EAAE;oBACxC,aAAa,EAAE,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC;iBACrC,EAAC;;SACL,CAAC,CAAC;AACP,CAAC;AAjDD,wCAiDC;AAQD,IAAU,UAAU,CAQnB;AARD,WAAU,UAAU;IAChB,SAAgB,EAAE,CAAC,CAAe;QAC9B,OAAO,CAAA,CAAC,aAAD,CAAC,uBAAD,CAAC,CAAE,IAAI,MAAK,MAAM,CAAC;IAC9B,CAAC;IAFe,aAAE,KAEjB,CAAA;IAED,SAAgB,MAAM,CAAC,IAAc;QACjC,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,IAAI,CAAC,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC;IACzD,CAAC;IAFe,iBAAM,SAErB,CAAA;AACL,CAAC,EARS,UAAU,KAAV,UAAU,QAQnB;AAZQ,gCAAU"}
|
|
@@ -70,7 +70,7 @@ var CustomElementProperty;
|
|
|
70
70
|
color: color,
|
|
71
71
|
props: props,
|
|
72
72
|
contextHash: contextHash,
|
|
73
|
-
description: "Assign element colors based on '"
|
|
73
|
+
description: "Assign element colors based on '".concat(modelProperty.label, "' data.")
|
|
74
74
|
};
|
|
75
75
|
}
|
|
76
76
|
return {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"custom-element-property.js","sourceRoot":"","sources":["../../../../src/mol-model-props/common/custom-element-property.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAGH,iEAAuE;AAMvE,0CAAgD;AAChD,iEAA8D;AAG9D,mEAA2E;AAU3E,IAAU,qBAAqB,CAwG9B;AAxGD,WAAU,qBAAqB;IAiB3B,SAAgB,MAAM,CAAI,OAAmB;;QACzC,IAAM,aAAa,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC;QACnD,OAAO;YACH,gBAAgB,EAAE,aAAa;YAC/B,kBAAkB,EAAE,CAAA,MAAA,OAAO,CAAC,QAAQ,0CAAE,QAAQ,KAAI,wBAAwB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC,QAAQ,EAAE,OAAO,CAAC,QAAQ,CAAC,YAAY,CAAC;YACnJ,aAAa,EAAE,OAAO,CAAC,QAAQ,IAAI,mBAAmB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC;SAC1F,CAAC;IACN,CAAC;IAPe,4BAAM,SAOrB,CAAA;IAED,SAAS,mBAAmB,CAAI,OAAmB;QAAnD,iBAcC;QAbG,OAAO,2CAAmB,CAAC,cAAc,CAAC;YACtC,KAAK,EAAE,OAAO,CAAC,KAAK;YACpB,UAAU,EAAE,IAAA,0CAAwB,EAAC;gBACjC,IAAI,EAAE,OAAO,CAAC,IAAI;aACrB,CAAC;YACF,IAAI,EAAE,OAAO,CAAC,IAAI,IAAI,SAAS;YAC/B,aAAa,EAAE,EAAE;YACjB,SAAS,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,EAAE,CAAC,EAAJ,CAAI;YAChC,YAAY,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,OAAO,CAAC,YAAY,IAAI,CAAC,CAAC,OAAO,CAAC,YAAY,CAAC,IAAI,CAAC,EAArD,CAAqD;YACpF,MAAM,EAAE,UAAO,GAA2B,EAAE,IAAW;;;gCAC5C,qBAAM,OAAO,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,EAAA;gCAAvC,sBAAO,SAAgC,EAAC;;;iBAC3C;SACJ,CAAC,CAAC;IACP,CAAC;IAED,SAAS,wBAAwB,CAAI,aAAyD,EAAE,QAAyB,EAAE,YAAmB;QAE1I,SAAS,QAAQ,CAAC,GAAqB,EAAE,KAAS;YAC9C,IAAI,KAAoB,CAAC;YAEzB,IAAM,QAAQ,GAAG,GAAG,CAAC,SAAS,IAAI,aAAa,CAAC,GAAG,CAAC,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;YAC7E,IAAM,WAAW,GAAG,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,OAAO,CAAC;YAEtC,IAAI,CAAA,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,KAAK,KAAI,GAAG,CAAC,SAAS,EAAE;gBAClC,IAAM,MAAI,GAAG,QAAQ,CAAC,KAAK,CAAC;gBAC5B,KAAK,GAAG,UAAC,QAAkB;oBACvB,IAAI,4BAAgB,CAAC,QAAQ,CAAC,EAAE,CAAC,QAAQ,CAAC,EAAE;wBACxC,IAAM,CAAC,GAAG,MAAI,CAAC,GAAG,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC;wBACrC,IAAI,OAAO,CAAC,KAAK,WAAW;4BAAE,OAAO,QAAQ,CAAC,CAAC,CAAC,CAAC;qBACpD;oBACD,OAAO,YAAY,CAAC;gBACxB,CAAC,CAAC;aACL;iBAAM;gBACH,KAAK,GAAG,cAAM,OAAA,YAAY,EAAZ,CAAY,CAAC;aAC9B;YAED,OAAO;gBACH,OAAO,EAAE,QAAQ;gBACjB,WAAW,EAAE,OAAO;gBACpB,KAAK,EAAE,KAAK;gBACZ,KAAK,EAAE,KAAK;gBACZ,WAAW,aAAA;gBACX,WAAW,EAAE,
|
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1
|
+
{"version":3,"file":"custom-element-property.js","sourceRoot":"","sources":["../../../../src/mol-model-props/common/custom-element-property.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAGH,iEAAuE;AAMvE,0CAAgD;AAChD,iEAA8D;AAG9D,mEAA2E;AAU3E,IAAU,qBAAqB,CAwG9B;AAxGD,WAAU,qBAAqB;IAiB3B,SAAgB,MAAM,CAAI,OAAmB;;QACzC,IAAM,aAAa,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC;QACnD,OAAO;YACH,gBAAgB,EAAE,aAAa;YAC/B,kBAAkB,EAAE,CAAA,MAAA,OAAO,CAAC,QAAQ,0CAAE,QAAQ,KAAI,wBAAwB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC,QAAQ,EAAE,OAAO,CAAC,QAAQ,CAAC,YAAY,CAAC;YACnJ,aAAa,EAAE,OAAO,CAAC,QAAQ,IAAI,mBAAmB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC;SAC1F,CAAC;IACN,CAAC;IAPe,4BAAM,SAOrB,CAAA;IAED,SAAS,mBAAmB,CAAI,OAAmB;QAAnD,iBAcC;QAbG,OAAO,2CAAmB,CAAC,cAAc,CAAC;YACtC,KAAK,EAAE,OAAO,CAAC,KAAK;YACpB,UAAU,EAAE,IAAA,0CAAwB,EAAC;gBACjC,IAAI,EAAE,OAAO,CAAC,IAAI;aACrB,CAAC;YACF,IAAI,EAAE,OAAO,CAAC,IAAI,IAAI,SAAS;YAC/B,aAAa,EAAE,EAAE;YACjB,SAAS,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,EAAE,CAAC,EAAJ,CAAI;YAChC,YAAY,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,OAAO,CAAC,YAAY,IAAI,CAAC,CAAC,OAAO,CAAC,YAAY,CAAC,IAAI,CAAC,EAArD,CAAqD;YACpF,MAAM,EAAE,UAAO,GAA2B,EAAE,IAAW;;;gCAC5C,qBAAM,OAAO,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,EAAA;gCAAvC,sBAAO,SAAgC,EAAC;;;iBAC3C;SACJ,CAAC,CAAC;IACP,CAAC;IAED,SAAS,wBAAwB,CAAI,aAAyD,EAAE,QAAyB,EAAE,YAAmB;QAE1I,SAAS,QAAQ,CAAC,GAAqB,EAAE,KAAS;YAC9C,IAAI,KAAoB,CAAC;YAEzB,IAAM,QAAQ,GAAG,GAAG,CAAC,SAAS,IAAI,aAAa,CAAC,GAAG,CAAC,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;YAC7E,IAAM,WAAW,GAAG,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,OAAO,CAAC;YAEtC,IAAI,CAAA,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,KAAK,KAAI,GAAG,CAAC,SAAS,EAAE;gBAClC,IAAM,MAAI,GAAG,QAAQ,CAAC,KAAK,CAAC;gBAC5B,KAAK,GAAG,UAAC,QAAkB;oBACvB,IAAI,4BAAgB,CAAC,QAAQ,CAAC,EAAE,CAAC,QAAQ,CAAC,EAAE;wBACxC,IAAM,CAAC,GAAG,MAAI,CAAC,GAAG,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC;wBACrC,IAAI,OAAO,CAAC,KAAK,WAAW;4BAAE,OAAO,QAAQ,CAAC,CAAC,CAAC,CAAC;qBACpD;oBACD,OAAO,YAAY,CAAC;gBACxB,CAAC,CAAC;aACL;iBAAM;gBACH,KAAK,GAAG,cAAM,OAAA,YAAY,EAAZ,CAAY,CAAC;aAC9B;YAED,OAAO;gBACH,OAAO,EAAE,QAAQ;gBACjB,WAAW,EAAE,OAAO;gBACpB,KAAK,EAAE,KAAK;gBACZ,KAAK,EAAE,KAAK;gBACZ,WAAW,aAAA;gBACX,WAAW,EAAE,0CAAmC,aAAa,CAAC,KAAK,YAAS;aAC/E,CAAC;QACN,CAAC;QAED,OAAO;YACH,IAAI,EAAE,aAAa,CAAC,UAAU,CAAC,IAAI;YACnC,KAAK,EAAE,aAAa,CAAC,KAAK;YAC1B,QAAQ,EAAE,QAAQ;YAClB,OAAO,EAAE,QAAQ;YACjB,SAAS,EAAE,cAAM,OAAA,CAAC,EAAE,CAAC,EAAJ,CAAI;YACrB,aAAa,EAAE,EAAE;YACjB,YAAY,EAAE,UAAC,GAAqB,IAAK,OAAA,CAAC,CAAC,GAAG,CAAC,SAAS,IAAI,CAAC,CAAC,aAAa,CAAC,GAAG,CAAC,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,EAArE,CAAqE;YAC9G,sBAAsB,EAAE;gBACpB,MAAM,EAAE,UAAC,GAA2B,EAAE,IAAsB,IAAK,OAAA,IAAI,CAAC,SAAS,CAAC,CAAC,CAAC,aAAa,CAAC,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,KAAK,CAAC,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,EAAE,EAAtG,CAAsG;gBACvK,MAAM,EAAE,UAAC,IAAsB,IAAK,OAAA,IAAI,CAAC,SAAS,IAAI,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,gBAAgB,CAAC,SAAS,CAAC,aAAa,CAAC,UAAU,EAAE,KAAK,CAAC,EAAtG,CAAsG;aAC7I;SACJ,CAAC;IACN,CAAC;IAED,SAAS,mBAAmB,CAAI,aAAyD,EAAE,QAAsC;QAC7H,OAAO;YACH,KAAK,EAAE,UAAC,IAAU;gBACd,IAAI,IAAI,CAAC,IAAI,KAAK,cAAc,EAAE;oBAC9B,IAAM,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;oBAC3B,IAAI,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,gBAAgB,CAAC,YAAY,CAAC,aAAa,CAAC,UAAU,CAAC;wBAAE,OAAO;oBACxF,IAAM,IAAI,GAAG,aAAa,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;oBACnD,IAAM,OAAO,GAAG,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,gBAAU,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC;oBAC7D,IAAM,KAAK,GAAG,IAAI,aAAJ,IAAI,uBAAJ,IAAI,CAAE,GAAG,CAAC,OAAO,CAAC,CAAC;oBACjC,IAAI,KAAK,KAAK,SAAS;wBAAE,OAAO;oBAChC,OAAO,QAAQ,CAAC,KAAK,CAAC,CAAC;iBAC1B;gBACD,OAAO;YACX,CAAC;SACJ,CAAC;IACN,CAAC;AACL,CAAC,EAxGS,qBAAqB,KAArB,qBAAqB,QAwG9B;AAhHQ,sDAAqB"}
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@@ -50,7 +50,7 @@ var CustomProperty;
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50
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Registry.prototype.get = function (name) {
|
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var prop = this.providers.get(name);
|
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|
if (!prop) {
|
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-
throw new Error("Custom property '"
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+
throw new Error("Custom property '".concat(name, "' is not registered."));
|
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}
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|
return this.providers.get(name);
|
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};
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@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"custom-property.js","sourceRoot":"","sources":["../../../../src/mol-model-props/common/custom-property.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAIH,oEAAwE;AAExE,uCAAuC;AAKvC,IAAU,cAAc,CAsFvB;AAtFD,WAAU,cAAc;IA4BpB;QAAA;YACY,cAAS,GAAG,IAAA,sBAAU,GAAoC,CAAC,SAAS,EAAE,CAAA;YACtE,4BAAuB,GAAG,IAAI,GAAG,EAAmB,CAAA;QAuDhE,CAAC;QArDG,uDAAuD;QACvD,4BAAS,GAAT,UAAU,IAAW;YACjB,IAAM,gBAAgB,GAAc,EAAE,CAAC;YACvC,IAAM,iBAAiB,GAAuB,EAAE,CAAC;YACjD,IAAM,iBAAiB,GAAa,EAAE,CAAC;YACvC,IAAI,IAAI,EAAE;gBACN,IAAM,MAAM,GAAG,IAAI,CAAC,SAAS,CAAC,MAAM,EAAE,CAAC;gBACvC,OAAO,IAAI,EAAE;oBACT,IAAM,CAAC,GAAG,MAAM,CAAC,IAAI,EAAE,CAAC;oBACxB,IAAI,CAAC,CAAC,IAAI;wBAAE,MAAM;oBAElB,IAAM,QAAQ,GAAG,CAAC,CAAC,KAAK,CAAC;oBACzB,IAAI,CAAC,QAAQ,CAAC,YAAY,CAAC,IAAI,CAAC;wBAAE,SAAS;oBAE3C,IAAI,CAAC,QAAQ,CAAC,QAAQ,EAAE;wBACpB,iBAAiB,CAAC,IAAI,CAAC,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC;wBACnE,IAAI,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,EAAE;4BAC5D,iBAAiB,CAAC,IAAI,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC;yBACpD;qBACJ;oBAED,gBAAgB,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,GAAG,kCAAE,CAAC,KAAK,2BAC9C,QAAQ,CAAC,SAAS,CAAC,IAAI,CAAC,GAC5B,EAAE,KAAK,EAAE,QAAQ,CAAC,KAAK,EAAE,QAAQ,EAAE,QAAQ,CAAC,QAAQ,EAAE,CAAC,CAAC;iBAC9D;aACJ;YACD,OAAO;gBACH,UAAU,EAAE,kCAAE,CAAC,WAAW,CAAC,iBAAiB,EAAE,iBAAiB,CAAC;gBAChE,UAAU,EAAE,kCAAE,CAAC,KAAK,CAAC,gBAAgB,EAAE,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;aAC3D,CAAC;QACN,CAAC;QAED,uCAAoB,GAApB,UAAqB,IAAY,EAAE,KAAc;YAC7C,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;QAClD,CAAC;QAED,sBAAG,GAAH,UAAI,IAAY;YACZ,IAAM,IAAI,GAAG,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;YACtC,IAAI,CAAC,IAAI,EAAE;gBACP,MAAM,IAAI,KAAK,CAAC,
|
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1
|
+
{"version":3,"file":"custom-property.js","sourceRoot":"","sources":["../../../../src/mol-model-props/common/custom-property.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAIH,oEAAwE;AAExE,uCAAuC;AAKvC,IAAU,cAAc,CAsFvB;AAtFD,WAAU,cAAc;IA4BpB;QAAA;YACY,cAAS,GAAG,IAAA,sBAAU,GAAoC,CAAC,SAAS,EAAE,CAAA;YACtE,4BAAuB,GAAG,IAAI,GAAG,EAAmB,CAAA;QAuDhE,CAAC;QArDG,uDAAuD;QACvD,4BAAS,GAAT,UAAU,IAAW;YACjB,IAAM,gBAAgB,GAAc,EAAE,CAAC;YACvC,IAAM,iBAAiB,GAAuB,EAAE,CAAC;YACjD,IAAM,iBAAiB,GAAa,EAAE,CAAC;YACvC,IAAI,IAAI,EAAE;gBACN,IAAM,MAAM,GAAG,IAAI,CAAC,SAAS,CAAC,MAAM,EAAE,CAAC;gBACvC,OAAO,IAAI,EAAE;oBACT,IAAM,CAAC,GAAG,MAAM,CAAC,IAAI,EAAE,CAAC;oBACxB,IAAI,CAAC,CAAC,IAAI;wBAAE,MAAM;oBAElB,IAAM,QAAQ,GAAG,CAAC,CAAC,KAAK,CAAC;oBACzB,IAAI,CAAC,QAAQ,CAAC,YAAY,CAAC,IAAI,CAAC;wBAAE,SAAS;oBAE3C,IAAI,CAAC,QAAQ,CAAC,QAAQ,EAAE;wBACpB,iBAAiB,CAAC,IAAI,CAAC,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC;wBACnE,IAAI,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,EAAE;4BAC5D,iBAAiB,CAAC,IAAI,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC;yBACpD;qBACJ;oBAED,gBAAgB,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,GAAG,kCAAE,CAAC,KAAK,2BAC9C,QAAQ,CAAC,SAAS,CAAC,IAAI,CAAC,GAC5B,EAAE,KAAK,EAAE,QAAQ,CAAC,KAAK,EAAE,QAAQ,EAAE,QAAQ,CAAC,QAAQ,EAAE,CAAC,CAAC;iBAC9D;aACJ;YACD,OAAO;gBACH,UAAU,EAAE,kCAAE,CAAC,WAAW,CAAC,iBAAiB,EAAE,iBAAiB,CAAC;gBAChE,UAAU,EAAE,kCAAE,CAAC,KAAK,CAAC,gBAAgB,EAAE,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;aAC3D,CAAC;QACN,CAAC;QAED,uCAAoB,GAApB,UAAqB,IAAY,EAAE,KAAc;YAC7C,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;QAClD,CAAC;QAED,sBAAG,GAAH,UAAI,IAAY;YACZ,IAAM,IAAI,GAAG,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;YACtC,IAAI,CAAC,IAAI,EAAE;gBACP,MAAM,IAAI,KAAK,CAAC,2BAAoB,IAAI,yBAAsB,CAAC,CAAC;aACnE;YACD,OAAO,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;QACpC,CAAC;QAED,2BAAQ,GAAR,UAAS,QAAkC,EAAE,iBAA0B;YACnE,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,QAAQ,CAAC,CAAC;YACvD,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,iBAAiB,CAAC,CAAC;QAClF,CAAC;QAED,6BAAU,GAAV,UAAW,IAAY;YACnB,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;YAC5B,IAAI,CAAC,uBAAuB,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;QAC9C,CAAC;QACL,eAAC;IAAD,CAAC,AAzDD,IAyDC;IAzDY,uBAAQ,WAyDpB,CAAA;AACL,CAAC,EAtFS,cAAc,KAAd,cAAc,QAsFvB;AAxFQ,wCAAc"}
|
|
@@ -93,7 +93,7 @@ var InteractionsInterContacts = /** @class */ (function (_super) {
|
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|
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|
return this.elementKeyIndex.get(this.getElementKey(index, unit.id)) || [];
|
|
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94
|
};
|
|
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|
InteractionsInterContacts.prototype.getElementKey = function (index, unitId) {
|
|
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|
-
return index
|
|
96
|
+
return "".concat(index, "|").concat(unitId);
|
|
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97
|
};
|
|
98
98
|
return InteractionsInterContacts;
|
|
99
99
|
}(inter_unit_graph_1.InterUnitGraph));
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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|
|
@@ -86,8 +86,8 @@ function hydrophobicRefiner(structure, interactions) {
|
|
|
86
86
|
var elementB = infoB.members[infoB.offsets[infoB.feature]];
|
|
87
87
|
var residueA = infoA.unit.getResidueIndex(elementA);
|
|
88
88
|
var residueB = infoB.unit.getResidueIndex(elementB);
|
|
89
|
-
var keyA = elementA
|
|
90
|
-
var keyB = elementB
|
|
89
|
+
var keyA = "".concat(elementA, "|").concat(infoA.unit.id, "|").concat(residueB, "|").concat(infoB.unit.id, "|A");
|
|
90
|
+
var keyB = "".concat(elementB, "|").concat(infoB.unit.id, "|").concat(residueA, "|").concat(infoA.unit.id, "|B");
|
|
91
91
|
var dist = features_1.Features.distance(infoA, infoB);
|
|
92
92
|
handleResidueContact(dist, edge, keyA, map, set);
|
|
93
93
|
handleResidueContact(dist, edge, keyB, map, set);
|
|
@@ -1 +1 @@
|
|
|
1
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-
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1
|
+
{"version":3,"file":"refine.js","sourceRoot":"","sources":["../../../../../src/mol-model-props/computed/interactions/refine.ts"],"names":[],"mappings":";AAAA;;;;;;GAMG;;;AAIH,0DAA+D;AAC/D,uCAAsC;AAStC,SAAgB,kBAAkB,CAAC,SAAoB,EAAE,YAA0B;IACvE,IAAA,QAAQ,GAAmC,YAAY,SAA/C,EAAE,aAAa,GAAoB,YAAY,cAAhC,EAAE,aAAa,GAAK,YAAY,cAAjB,CAAkB;IAEhE,IAAM,eAAe,GAAqB;QACtC,kBAAkB,CAAC,SAAS,EAAE,YAAY,CAAC;QAC3C,wBAAwB,CAAC,SAAS,EAAE,YAAY,CAAC;QACjD,iBAAiB,CAAC,SAAS,EAAE,YAAY,CAAC;QAC1C,iBAAiB,CAAC,SAAS,EAAE,YAAY,CAAC;QAC1C,wBAAwB,CAAC,SAAS,EAAE,YAAY,CAAC;KACpD,CAAC;IAEF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,QAAQ,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAClD,IAAM,CAAC,GAAG,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAC5B,IAAM,EAAE,GAAG,SAAS,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAgB,CAAC;QACzD,IAAM,EAAE,GAAG,SAAS,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAgB,CAAC;QAEzD,IAAM,KAAK,GAAG,mBAAQ,CAAC,IAAI,CAAC,SAAS,EAAE,EAAE,EAAE,aAAa,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC;QACvE,KAAK,CAAC,OAAO,GAAG,CAAC,CAAC,MAAM,CAAC;QACzB,IAAM,KAAK,GAAG,mBAAQ,CAAC,IAAI,CAAC,SAAS,EAAE,EAAE,EAAE,aAAa,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC;QACvE,KAAK,CAAC,OAAO,GAAG,CAAC,CAAC,MAAM,CAAC;QAEzB,KAAsB,UAAe,EAAf,mCAAe,EAAf,6BAAe,EAAf,IAAe,EAAE;YAAlC,IAAM,OAAO,wBAAA;YACd,IAAI,OAAO,CAAC,YAAY,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC;gBAAE,OAAO,CAAC,kBAAkB,CAAC,CAAC,EAAE,KAAK,EAAE,KAAK,CAAC,CAAC;SACvF;KACJ;IAED,EAAE;IAEF,IAAM,MAAM,GAAG,aAAa,CAAC,IAAI,EAAE,CAAC;IAEpC,OAAO,IAAI,EAAE;QACH,IAAA,KAAkB,MAAM,CAAC,IAAI,EAAE,EAA7B,IAAI,UAAA,EAAE,KAAK,WAAkB,CAAC;QACtC,IAAI,IAAI;YAAE,MAAM;QAEhB,IAAM,UAAQ,GAAG,aAAa,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QAC1C,IAAM,QAAQ,GAAG,aAAa,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QAC1C,IAAM,IAAI,GAAG,SAAS,CAAC,OAAO,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QAC1C,IAAI,CAAC,gBAAI,CAAC,QAAQ,CAAC,IAAI,CAAC;YAAE,SAAS;QAEnC,IAAM,KAAK,GAAG,mBAAQ,CAAC,IAAI,CAAC,SAAS,EAAE,IAAI,EAAE,QAAQ,CAAC,CAAC;QACvD,IAAM,KAAK,GAAG,mBAAQ,CAAC,IAAI,CAAC,SAAS,EAAE,IAAI,EAAE,QAAQ,CAAC,CAAC;QAEvD,KAAsB,UAAe,EAAf,mCAAe,EAAf,6BAAe,EAAf,IAAe;YAAhC,IAAM,OAAO,wBAAA;YAAqB,OAAO,CAAC,SAAS,CAAC,IAAI,EAAE,UAAQ,EAAE,QAAQ,CAAC,CAAC;SAAA;QAEnF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,UAAQ,CAAC,SAAS,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YACtD,KAAK,CAAC,OAAO,GAAG,UAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YAC9B,KAAK,CAAC,OAAO,GAAG,UAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YAC9B,+CAA+C;YAE/C,KAAsB,UAAe,EAAf,mCAAe,EAAf,6BAAe,EAAf,IAAe,EAAE;gBAAlC,IAAM,OAAO,wBAAA;gBACd,IAAI,OAAO,CAAC,YAAY,CAAC,UAAQ,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;oBAAE,OAAO,CAAC,kBAAkB,CAAC,CAAC,EAAE,KAAK,EAAE,KAAK,CAAC,CAAC;aACrG;SACJ;KACJ;AACL,CAAC;AAtDD,gDAsDC;AAED;;;GAGG;AACH,SAAS,kBAAkB,CAAC,SAAoB,EAAE,YAA0B;IAChE,IAAA,QAAQ,GAAK,YAAY,SAAjB,CAAkB;IAElC,gDAAgD;IAChD,IAAM,oBAAoB,GAAG,UAAU,IAAY,EAAE,IAAY,EAAE,GAAW,EAAE,GAAkC,EAAE,GAAwB;QAClI,IAAA,KAAsB,GAAG,CAAC,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,QAAQ,EAAE,CAAC,CAAC,CAAC,EAAnD,OAAO,QAAA,EAAE,QAAQ,QAAkC,CAAC;QAC3D,IAAI,IAAI,GAAG,OAAO,EAAE;YAChB,IAAI,QAAQ,KAAK,CAAC,CAAC;gBAAE,GAAG,CAAC,QAAQ,CAAC,CAAC;YACnC,GAAG,CAAC,GAAG,CAAC,GAAG,EAAE,CAAC,IAAI,EAAE,IAAI,CAAC,CAAC,CAAC;SAC9B;aAAM;YACH,GAAG,CAAC,IAAI,CAAC,CAAC;SACb;IACL,CAAC,CAAC;IAEF,SAAS,UAAU,CAAC,IAAY,EAAE,KAAoB,EAAE,KAAoB,EAAE,GAAkC,EAAE,GAAwB;QACtI,IAAM,QAAQ,GAAG,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC;QAC7D,IAAM,QAAQ,GAAG,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC;QAC7D,IAAM,QAAQ,GAAG,KAAK,CAAC,IAAI,CAAC,eAAe,CAAC,QAAQ,CAAC,CAAC;QACtD,IAAM,QAAQ,GAAG,KAAK,CAAC,IAAI,CAAC,eAAe,CAAC,QAAQ,CAAC,CAAC;QAEtD,IAAM,IAAI,GAAG,UAAG,QAAQ,cAAI,KAAK,CAAC,IAAI,CAAC,EAAE,cAAI,QAAQ,cAAI,KAAK,CAAC,IAAI,CAAC,EAAE,OAAI,CAAC;QAC3E,IAAM,IAAI,GAAG,UAAG,QAAQ,cAAI,KAAK,CAAC,IAAI,CAAC,EAAE,cAAI,QAAQ,cAAI,KAAK,CAAC,IAAI,CAAC,EAAE,OAAI,CAAC;QAE3E,IAAM,IAAI,GAAG,mBAAQ,CAAC,QAAQ,CAAC,KAAK,EAAE,KAAK,CAAC,CAAC;QAE7C,oBAAoB,CAAC,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,EAAE,GAAG,CAAC,CAAC;QACjD,oBAAoB,CAAC,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,EAAE,GAAG,CAAC,CAAC;IACrD,CAAC;IAED,IAAM,eAAe,GAAG,IAAI,GAAG,EAA4B,CAAC;IAC5D,IAAM,gBAAgB,GAAG,UAAC,CAAS,IAAK,OAAA,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,mBAA2B,EAAvD,CAAuD,CAAC;IAEhG,IAAI,eAA8C,CAAC;IACnD,IAAI,gBAAqC,CAAC;IAE1C,OAAO;QACH,YAAY,EAAE,UAAC,IAAqB,IAAK,OAAA,IAAI,wBAAgC,EAApC,CAAoC;QAC7E,kBAAkB,EAAE,UAAC,KAAa,EAAE,KAAoB,EAAE,KAAoB;YAC1E,UAAU,CAAC,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,eAAe,EAAE,gBAAgB,CAAC,CAAC;QACvE,CAAC;QACD,SAAS,EAAE,UAAC,IAAiB,EAAE,QAAmC,EAAE,QAAkB;YAClF,eAAe,GAAG,IAAI,GAAG,EAA4B,CAAC;YACtD,gBAAgB,GAAG,UAAC,CAAS,IAAK,OAAA,QAAQ,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC,CAAC,mBAA2B,EAArD,CAAqD,CAAC;QAC5F,CAAC;QACD,kBAAkB,EAAE,UAAC,KAAa,EAAE,KAAoB,EAAE,KAAoB;YAC1E,UAAU,CAAC,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,eAAe,EAAE,gBAAgB,CAAC,CAAC;QACvE,CAAC;KACJ,CAAC;AACN,CAAC;AAED;;;GAGG;AACH,SAAS,wBAAwB,CAAC,SAAoB,EAAE,YAA0B;IACtE,IAAA,QAAQ,GAAK,YAAY,SAAjB,CAAkB;IAElC,IAAM,eAAe,GAAG,UAAC,KAAoB,EAAE,KAAoB;QAC/D,IAAM,GAAG,GAAG,KAAK,CAAC,KAAK,CAAC,KAAK,CAAC,OAAO,CAAC,8BAAkC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC;QAEzF,cAAc;QACd,IAAM,EAAE,GAAG,GAAG,CAAC,OAAO,CAAC,GAAG,C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|
package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts
CHANGED
|
@@ -13,17 +13,20 @@ export declare const InteractionsInterUnitParams: {
|
|
|
13
13
|
linkScale: PD.Numeric;
|
|
14
14
|
linkSpacing: PD.Numeric;
|
|
15
15
|
linkCap: PD.BooleanParam;
|
|
16
|
+
aromaticScale: PD.Numeric;
|
|
17
|
+
aromaticSpacing: PD.Numeric;
|
|
18
|
+
aromaticDashCount: PD.Numeric;
|
|
16
19
|
dashCap: PD.BooleanParam;
|
|
17
20
|
stubCap: PD.BooleanParam;
|
|
18
21
|
radialSegments: PD.Numeric;
|
|
19
|
-
unitKinds: PD.MultiSelect<"spheres" | "
|
|
22
|
+
unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
|
|
20
23
|
doubleSided: PD.BooleanParam;
|
|
21
24
|
flipSided: PD.BooleanParam;
|
|
22
25
|
flatShaded: PD.BooleanParam;
|
|
23
26
|
ignoreLight: PD.BooleanParam;
|
|
24
27
|
xrayShaded: PD.BooleanParam;
|
|
25
28
|
alpha: PD.Numeric;
|
|
26
|
-
quality: PD.Select<"
|
|
29
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
27
30
|
};
|
|
28
31
|
export declare type InteractionsInterUnitParams = typeof InteractionsInterUnitParams;
|
|
29
32
|
export declare function InteractionsInterUnitVisual(materialId: number): ComplexVisual<InteractionsInterUnitParams>;
|
package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts
CHANGED
|
@@ -13,17 +13,20 @@ export declare const InteractionsIntraUnitParams: {
|
|
|
13
13
|
linkScale: PD.Numeric;
|
|
14
14
|
linkSpacing: PD.Numeric;
|
|
15
15
|
linkCap: PD.BooleanParam;
|
|
16
|
+
aromaticScale: PD.Numeric;
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17
|
+
aromaticSpacing: PD.Numeric;
|
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18
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+
aromaticDashCount: PD.Numeric;
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16
19
|
dashCap: PD.BooleanParam;
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17
20
|
stubCap: PD.BooleanParam;
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18
21
|
radialSegments: PD.Numeric;
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19
|
-
unitKinds: PD.MultiSelect<"spheres" | "
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22
|
+
unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
|
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20
23
|
doubleSided: PD.BooleanParam;
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21
24
|
flipSided: PD.BooleanParam;
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22
25
|
flatShaded: PD.BooleanParam;
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23
26
|
ignoreLight: PD.BooleanParam;
|
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24
27
|
xrayShaded: PD.BooleanParam;
|
|
25
28
|
alpha: PD.Numeric;
|
|
26
|
-
quality: PD.Select<"
|
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29
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
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27
30
|
};
|
|
28
31
|
export declare type InteractionsIntraUnitParams = typeof InteractionsIntraUnitParams;
|
|
29
32
|
export declare function InteractionsIntraUnitVisual(materialId: number): UnitsVisual<InteractionsIntraUnitParams>;
|
|
@@ -9,7 +9,7 @@ import { ThemeRegistryContext } from '../../../mol-theme/theme';
|
|
|
9
9
|
import { Structure } from '../../../mol-model/structure';
|
|
10
10
|
import { StructureRepresentation, StructureRepresentationProvider } from '../../../mol-repr/structure/representation';
|
|
11
11
|
export declare const InteractionsParams: {
|
|
12
|
-
unitKinds: PD.MultiSelect<"spheres" | "
|
|
12
|
+
unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
|
|
13
13
|
sizeFactor: PD.Numeric;
|
|
14
14
|
visuals: PD.MultiSelect<"intra-unit" | "inter-unit">;
|
|
15
15
|
dashCount: PD.Numeric;
|
|
@@ -18,6 +18,9 @@ export declare const InteractionsParams: {
|
|
|
18
18
|
linkScale: PD.Numeric;
|
|
19
19
|
linkSpacing: PD.Numeric;
|
|
20
20
|
linkCap: PD.BooleanParam;
|
|
21
|
+
aromaticScale: PD.Numeric;
|
|
22
|
+
aromaticSpacing: PD.Numeric;
|
|
23
|
+
aromaticDashCount: PD.Numeric;
|
|
21
24
|
dashCap: PD.BooleanParam;
|
|
22
25
|
stubCap: PD.BooleanParam;
|
|
23
26
|
radialSegments: PD.Numeric;
|
|
@@ -27,11 +30,11 @@ export declare const InteractionsParams: {
|
|
|
27
30
|
ignoreLight: PD.BooleanParam;
|
|
28
31
|
xrayShaded: PD.BooleanParam;
|
|
29
32
|
alpha: PD.Numeric;
|
|
30
|
-
quality: PD.Select<"
|
|
33
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
31
34
|
};
|
|
32
35
|
export declare type InteractionsParams = typeof InteractionsParams;
|
|
33
36
|
export declare function getInteractionParams(ctx: ThemeRegistryContext, structure: Structure): {
|
|
34
|
-
unitKinds: PD.MultiSelect<"spheres" | "
|
|
37
|
+
unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
|
|
35
38
|
sizeFactor: PD.Numeric;
|
|
36
39
|
visuals: PD.MultiSelect<"intra-unit" | "inter-unit">;
|
|
37
40
|
dashCount: PD.Numeric;
|
|
@@ -40,6 +43,9 @@ export declare function getInteractionParams(ctx: ThemeRegistryContext, structur
|
|
|
40
43
|
linkScale: PD.Numeric;
|
|
41
44
|
linkSpacing: PD.Numeric;
|
|
42
45
|
linkCap: PD.BooleanParam;
|
|
46
|
+
aromaticScale: PD.Numeric;
|
|
47
|
+
aromaticSpacing: PD.Numeric;
|
|
48
|
+
aromaticDashCount: PD.Numeric;
|
|
43
49
|
dashCap: PD.BooleanParam;
|
|
44
50
|
stubCap: PD.BooleanParam;
|
|
45
51
|
radialSegments: PD.Numeric;
|
|
@@ -49,12 +55,12 @@ export declare function getInteractionParams(ctx: ThemeRegistryContext, structur
|
|
|
49
55
|
ignoreLight: PD.BooleanParam;
|
|
50
56
|
xrayShaded: PD.BooleanParam;
|
|
51
57
|
alpha: PD.Numeric;
|
|
52
|
-
quality: PD.Select<"
|
|
58
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
53
59
|
};
|
|
54
60
|
export declare type InteractionRepresentation = StructureRepresentation<InteractionsParams>;
|
|
55
61
|
export declare function InteractionRepresentation(ctx: RepresentationContext, getParams: RepresentationParamsGetter<Structure, InteractionsParams>): InteractionRepresentation;
|
|
56
62
|
export declare const InteractionsRepresentationProvider: StructureRepresentationProvider<{
|
|
57
|
-
unitKinds: PD.MultiSelect<"spheres" | "
|
|
63
|
+
unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
|
|
58
64
|
sizeFactor: PD.Numeric;
|
|
59
65
|
visuals: PD.MultiSelect<"intra-unit" | "inter-unit">;
|
|
60
66
|
dashCount: PD.Numeric;
|
|
@@ -63,6 +69,9 @@ export declare const InteractionsRepresentationProvider: StructureRepresentation
|
|
|
63
69
|
linkScale: PD.Numeric;
|
|
64
70
|
linkSpacing: PD.Numeric;
|
|
65
71
|
linkCap: PD.BooleanParam;
|
|
72
|
+
aromaticScale: PD.Numeric;
|
|
73
|
+
aromaticSpacing: PD.Numeric;
|
|
74
|
+
aromaticDashCount: PD.Numeric;
|
|
66
75
|
dashCap: PD.BooleanParam;
|
|
67
76
|
stubCap: PD.BooleanParam;
|
|
68
77
|
radialSegments: PD.Numeric;
|
|
@@ -72,5 +81,5 @@ export declare const InteractionsRepresentationProvider: StructureRepresentation
|
|
|
72
81
|
ignoreLight: PD.BooleanParam;
|
|
73
82
|
xrayShaded: PD.BooleanParam;
|
|
74
83
|
alpha: PD.Numeric;
|
|
75
|
-
quality: PD.Select<"
|
|
84
|
+
quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
|
|
76
85
|
}, "interactions">;
|
|
@@ -66,7 +66,7 @@ var CrossLinkRestraint;
|
|
|
66
66
|
CrossLinkRestraint.areLocationsEqual = areLocationsEqual;
|
|
67
67
|
function _label(crossLinkRestraints, element) {
|
|
68
68
|
var p = crossLinkRestraints.pairs[element];
|
|
69
|
-
return "Cross Link Restraint | Type: "
|
|
69
|
+
return "Cross Link Restraint | Type: ".concat(p.restraintType, " | Threshold: ").concat(p.distanceThreshold, " \u212B | Psi: ").concat(p.psi, " | Sigma 1: ").concat(p.sigma1, " | Sigma 2: ").concat(p.sigma2, " | Distance: ").concat(distance(p).toFixed(2), " \u212B");
|
|
70
70
|
}
|
|
71
71
|
function locationLabel(location) {
|
|
72
72
|
return _label(location.data.crossLinkRestraints, location.element);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"property.js","sourceRoot":"","sources":["../../../../../src/mol-model-props/integrative/cross-link-restraint/property.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,mCAAmD;AACnD,0DAAuF;AACvF,sDAAmE;AACnE,oFAAiF;AAEjF,wDAA2D;AAC3D,gDAAmD;AAEnD,8EAA4E;AAC5E,kDAAqD;AACrD,mEAAwD;AACxD,sEAA8E;AAIjE,QAAA,0BAA0B,GAAkE,mDAAuB,CAAC,cAAc,CAAC;IAC5I,KAAK,EAAE,sBAAsB;IAC7B,UAAU,EAAE,IAAA,0CAAwB,EAAC;QACjC,IAAI,EAAE,kCAAkC;QACxC,gCAAgC;KACnC,CAAC;IACF,IAAI,EAAE,OAAO;IACb,aAAa,EAAE,EAAE;IACjB,SAAS,EAAE,UAAC,IAAe,IAAK,OAAA,CAAC,EAAE,CAAC,EAAJ,CAAI;IACpC,YAAY,EAAE,UAAC,IAAe,IAAK,OAAA,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,gCAAuB,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC,EAAzC,CAAyC,CAAC,EAAhE,CAAgE;IACnG,MAAM,EAAE,UAAO,GAA2B,EAAE,IAAe,EAAE,KAAkB;;YAC3E,sBAAO,EAAE,KAAK,EAAE,0BAA0B,CAAC,IAAI,CAAC,EAAE,EAAC;;SACtD;CACJ,CAAC,CAAC;AAYH,IAAU,kBAAkB,CA2E3B;AA3ED,WAAU,kBAAkB;IACxB,IAAY,GAEX;IAFD,WAAY,GAAG;QACX,kDAA2C,CAAA;IAC/C,CAAC,EAFW,GAAG,GAAH,sBAAG,KAAH,sBAAG,QAEd;IAED,SAAgB,YAAY,CAAC,SAAoB;QAC7C,OAAO,SAAS,CAAC,MAAM,CAAC,IAAI,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,gCAAuB,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC,EAAzC,CAAyC,CAAC,CAAC;IACjF,CAAC;IAFe,+BAAY,eAE3B,CAAA;IAED,IAAM,QAAQ,GAAG,IAAA,qBAAI,GAAE,EAAE,QAAQ,GAAG,IAAA,qBAAI,GAAE,CAAC;IAC3C,SAAgB,QAAQ,CAAC,IAAwB;QAC7C,IAAI,CAAC,KAAK,CAAC,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,EAAE,QAAQ,CAAC,CAAC;QAC7E,IAAI,CAAC,KAAK,CAAC,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,EAAE,QAAQ,CAAC,CAAC;QAC7E,OAAO,qBAAI,CAAC,QAAQ,CAAC,QAAQ,EAAE,QAAQ,CAAC,CAAC;IAC7C,CAAC;IAJe,2BAAQ,WAIvB,CAAA;IAOD,SAAgB,QAAQ,CAAC,mBAA4C,EAAE,SAAoB,EAAE,KAAc;QACvG,OAAO,IAAA,uBAAY,EAAC,uBAAuB,EAAE,EAAE,SAAS,WAAA,EAAE,mBAAmB,qBAAA,EAAE,EAAE,KAAY,CAAC,CAAC;IACnG,CAAC;IAFe,2BAAQ,WAEvB,CAAA;IAED,SAAgB,UAAU,CAAC,CAAM;QAC7B,OAAO,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,IAAI,KAAK,eAAe,IAAI,CAAC,CAAC,GAAG,KAAK,uBAAuB,CAAC;IAClF,CAAC;IAFe,6BAAU,aAEzB,CAAA;IAED,SAAgB,iBAAiB,CAAC,IAAc,EAAE,IAAc;QAC5D,OAAO,CACH,IAAI,CAAC,IAAI,CAAC,SAAS,KAAK,IAAI,CAAC,IAAI,CAAC,SAAS;YAC3C,IAAI,CAAC,IAAI,CAAC,mBAAmB,KAAK,IAAI,CAAC,IAAI,CAAC,mBAAmB;YAC/D,IAAI,CAAC,OAAO,KAAK,IAAI,CAAC,OAAO,CAChC,CAAC;IACN,CAAC;IANe,oCAAiB,oBAMhC,CAAA;IAED,SAAS,MAAM,CAAC,mBAA4C,EAAE,OAAgB;QAC1E,IAAM,CAAC,GAAG,mBAAmB,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC;QAC7C,OAAO,
|
|
1
|
+
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