molstar 2.3.5 → 2.3.9
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 -94
- 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 +290 -1
- package/lib/apps/viewer/index.html +94 -94
- package/lib/apps/viewer/index.js +91 -5
- 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 +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/viewer/index.d.ts +289 -0
- package/lib/commonjs/apps/viewer/index.js +91 -5
- 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/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/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/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/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 +4 -4
- 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 +2 -2
- 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.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 +15 -0
- 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/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.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/direct-volume/direct-volume.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
- 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.js +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
- 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.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.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 +7 -45
- 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 +2 -2
- 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-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/extensions.js +5 -1
- package/lib/commonjs/mol-gl/webgl/extensions.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 +1 -1
- 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-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.js +1 -1
- package/lib/commonjs/mol-io/common/typed-array.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 +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +12 -12
- package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/text/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/result.js +1 -1
- package/lib/commonjs/mol-io/reader/result.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js +3 -3
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder.js +5 -5
- package/lib/commonjs/mol-io/writer/cif/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +4 -4
- package/lib/commonjs/mol-io/writer/mol/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +6 -6
- package/lib/commonjs/mol-io/writer/mol2/encoder.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js +9 -2
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js +8 -8
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/tables.js +1 -1
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|
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@@ -34,7 +34,7 @@ var StructureBuilder = /** @class */ (function () {
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34
34
|
case 0:
|
|
35
35
|
provider = typeof format === 'string' ? this.plugin.dataFormats.get(format) : format;
|
|
36
36
|
if (!provider)
|
|
37
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-
throw new Error("'"
|
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37
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+
throw new Error("'".concat(format, "' is not a supported data format."));
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38
38
|
return [4 /*yield*/, provider.parse(this.plugin, data)];
|
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39
39
|
case 1:
|
|
40
40
|
trajectory = (_a.sent()).trajectory;
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@@ -120,7 +120,7 @@ var StructureBuilder = /** @class */ (function () {
|
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|
120
120
|
case 0:
|
|
121
121
|
state = this.dataState;
|
|
122
122
|
root = state.build().to(structure);
|
|
123
|
-
keyTag = "structure-component-"
|
|
123
|
+
keyTag = "structure-component-".concat(key);
|
|
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124
|
component = root.applyOrUpdateTagged(keyTag, StateTransforms.Model.StructureComponent, params, {
|
|
125
125
|
tags: tags ? __spreadArray(__spreadArray([], tags, true), [keyTag], false) : [keyTag]
|
|
126
126
|
});
|
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@@ -150,7 +150,7 @@ var StructureBuilder = /** @class */ (function () {
|
|
|
150
150
|
type: { name: 'static', params: type },
|
|
151
151
|
nullIfEmpty: true,
|
|
152
152
|
label: ((params === null || params === void 0 ? void 0 : params.label) || '').trim()
|
|
153
|
-
}, "static-"
|
|
153
|
+
}, "static-".concat(type), params === null || params === void 0 ? void 0 : params.tags);
|
|
154
154
|
};
|
|
155
155
|
StructureBuilder.prototype.tryCreateComponentFromSelection = function (structure, selection, key, params) {
|
|
156
156
|
var _this = this;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
{"version":3,"file":"structure.js","sourceRoot":"","sources":["../../../src/mol-plugin-state/builder/structure.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAGH,OAAO,EAAE,cAAc,EAA0E,MAAM,iBAAiB,CAAC;AACzH,OAAO,EAAE,iBAAiB,IAAI,EAAE,EAAE,MAAM,YAAY,CAAC;AACrD,OAAO,EAAE,eAAe,EAAE,MAAM,eAAe,CAAC;AAIhD,OAAO,EAAE,8BAA8B,EAAE,MAAM,4BAA4B,CAAC;AAE5E,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,gBAAgB,EAAE,MAAM,2BAA2B,CAAC;AAC7D,OAAO,EAAE,aAAa,EAAE,MAAM,qDAAqD,CAAC;AACpF,OAAO,EAAE,cAAc,EAAE,MAAM,yBAAyB,CAAC;AAEzD,OAAO,EAAE,0BAA0B,EAAE,MAAM,uBAAuB,CAAC;AAEnE;IAgKI,0BAAmB,MAAqB;QAArB,WAAM,GAAN,MAAM,CAAe;QA5I/B,cAAS,GAAG,IAAI,0BAA0B,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;QACxD,mBAAc,GAAG,IAAI,8BAA8B,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;IA4I1E,CAAC;IAhKD,sBAAY,uCAAS;aAArB;YACI,OAAO,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,IAAI,CAAC;QAClC,CAAC;;;OAAA;IAEa,8CAAmB,GAAjC,UAAkC,IAAqD,EAAE,MAA0D;;;;;;wBACzI,QAAQ,GAAG,OAAO,MAAM,KAAK,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,WAAW,CAAC,GAAG,CAAC,MAAM,CAA6B,CAAC,CAAC,CAAC,MAAM,CAAC;wBACvH,IAAI,CAAC,QAAQ;4BAAE,MAAM,IAAI,KAAK,CAAC,WAAI,MAAM,sCAAmC,CAAC,CAAC;wBACvD,qBAAM,QAAQ,CAAC,KAAK,CAAC,IAAI,CAAC,MAAM,EAAE,IAAI,CAAC,EAAA;;wBAAtD,UAAU,GAAK,CAAA,SAAuC,CAAA,WAA5C;wBAClB,sBAAO,UAAU,EAAC;;;;KACrB;IAEO,8CAAmB,GAA3B,UAA4B,IAAkC,EAAE,MAAqE;QACjI,IAAM,KAAK,GAAG,IAAI,CAAC,SAAS,CAAC;QAC7B,IAAM,UAAU,GAAG,KAAK,CAAC,KAAK,EAAE,CAAC,EAAE,CAAC,IAAI,CAAC;aACpC,KAAK,CAAC,eAAe,CAAC,IAAI,CAAC,SAAS,EAAE,MAAM,EAAE,EAAE,KAAK,EAAE,EAAE,OAAO,EAAE,IAAI,EAAE,EAAE,CAAC;aAC3E,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,kBAAkB,EAAE,KAAK,CAAC,CAAC,CAAC;QAC7D,OAAO,UAAU,CAAC,MAAM,CAAC,EAAE,aAAa,EAAE,IAAI,EAAE,CAAC,CAAC;IACtD,CAAC;IAOD,0CAAe,GAAf,UAAgB,IAAoB,EAAE,MAAW;QAC7C,IAAM,IAAI,GAAG,cAAc,CAAC,eAAe,CAAC,IAAI,CAAC,SAAS,EAAE,IAAsB,CAAC,CAAC;QACpF,IAAI,CAAC,IAAI;YAAE,MAAM,IAAI,KAAK,CAAC,oBAAoB,CAAC,CAAC;QAEjD,IAAI,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE;YAC3B,OAAO,IAAI,CAAC,mBAAmB,CAAC,IAAI,EAAE,MAAM,CAAC,CAAC;SACjD;aAAM;YACH,OAAO,IAAI,CAAC,mBAAmB,CAAC,IAAI,EAAE,MAAM,CAAC,CAAC;SACjD;IACL,CAAC;IAED,sCAAW,GAAX,UAAY,UAAkD,EAAE,MAAiF,EAAE,YAA4C;QAC3L,IAAM,KAAK,GAAG,IAAI,CAAC,SAAS,CAAC;QAC7B,IAAM,KAAK,GAAG,KAAK,CAAC,KAAK,EAAE,CAAC,EAAE,CAAC,UAAU,CAAC;aACrC,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,mBAAmB,EAAE,MAAM,IAAI,EAAE,UAAU,EAAE,CAAC,EAAE,EAAE,EAAE,KAAK,EAAE,YAAY,EAAE,CAAC,CAAC;QAE5G,OAAO,KAAK,CAAC,MAAM,CAAC,EAAE,aAAa,EAAE,IAAI,EAAE,CAAC,CAAC;IACjD,CAAC;IAED,gDAAqB,GAArB,UAAsB,KAAwC,EAAE,MAAmF,EAAE,YAA4C;QAC7L,IAAM,KAAK,GAAG,IAAI,CAAC,SAAS,CAAC;QAC7B,IAAM,KAAK,GAAG,KAAK,CAAC,KAAK,EAAE,CAAC,EAAE,CAAC,KAAK,CAAC;aAChC,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,qBAAqB,EAAE,MAAM,EAAE,EAAE,KAAK,EAAE,YAAY,EAAE,CAAC,CAAC;QACzF,OAAO,KAAK,CAAC,MAAM,CAAC,EAAE,aAAa,EAAE,IAAI,EAAE,CAAC,CAAC;IACjD,CAAC;IAED,4CAAiB,GAAjB,UAAkB,KAAwC,EAAE,MAAsF,EAAE,YAA4C;;QAC5L,IAAM,KAAK,GAAG,IAAI,CAAC,SAAS,CAAC;QAC7B,IAAM,CAAC,GAAG,MAAA,MAAA,cAAc,CAAC,eAAe,CAAC,KAAK,EAAE,KAAK,CAAC,0CAAE,GAAG,0CAAE,IAAI,CAAC;QAClE,IAAI,CAAC,CAAC;YAAE,OAAO;QACf,IAAM,IAAI,GAAG,MAAA,aAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC,0CAAE,UAAU,CAAC,IAAI,CAAC;QAC5D,IAAI,cAAc,CAAC,MAAM,CAAC,IAAI,CAAC;YAAE,OAAO;QAExC,IAAM,QAAQ,GAAG,KAAK,CAAC,KAAK,EAAE,CAAC,EAAE,CAAC,KAAK,CAAC;aACnC,KAAK,CAAC,eAAe,CAAC,cAAc,CAAC,eAAe,EAAE,MAAM,EAAE,EAAE,KAAK,EAAE,YAAY,EAAE,CAAC,CAAC;QAC5F,OAAO,QAAQ,CAAC,MAAM,CAAC,EAAE,aAAa,EAAE,IAAI,EAAE,CAAC,CAAC;IACpD,CAAC;IAED,0CAAe,GAAf,UAAgB,QAA2C,EAAE,MAAuC,EAAE,YAA4C;;QAC9I,IAAM,KAAK,GAAG,IAAI,CAAC,SAAS,CAAC;QAE7B,IAAI,CAAC,MAAM,EAAE;YACT,IAAM,KAAK,GAAG,cAAc,CAAC,eAAe,CAAC,KAAK,EAAE,QAAQ,CAAC,CAAC;YAC9D,IAAI,KAAK,EAAE;gBACP,IAAM,IAAI,GAAG,aAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,MAAA,KAAK,CAAC,GAAG,0CAAE,IAAK,CAAC,CAAC;gBAC1D,IAAI,CAAC,IAAI,IAAI,CAAA,IAAI,aAAJ,IAAI,uBAAJ,IAAI,CAAE,UAAU,CAAC,MAAM,MAAK,CAAC;oBAAE,MAAM,GAAG,EAAE,IAAI,EAAE,OAAO,EAAE,MAAM,EAAE,EAAG,EAAE,CAAC;aACvF;SACJ;QAED,IAAM,SAAS,GAAG,KAAK,CAAC,KAAK,EAAE,CAAC,EAAE,CAAC,QAAQ,CAAC;aACvC,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,kBAAkB,EAAE,EAAE,IAAI,EAAE,MAAM,IAAI,EAAE,IAAI,EAAE,UAAU,EAAE,MAAM,EAAE,EAAG,EAAE,EAAE,EAAE,EAAE,KAAK,EAAE,YAAY,EAAE,CAAC,CAAC;QAErI,OAAO,SAAS,CAAC,MAAM,CAAC,EAAE,aAAa,EAAE,IAAI,EAAE,CAAC,CAAC;IACrD,CAAC;IAED,oDAAyB,GAAzB,UAA0B,SAAgD,EAAE,MAAuF;QAC/J,IAAM,KAAK,GAAG,IAAI,CAAC,SAAS,CAAC;QAC7B,IAAM,KAAK,GAAG,KAAK,CAAC,KAAK,EAAE,CAAC,EAAE,CAAC,SAAS,CAAC;aACpC,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,yBAAyB,EAAE,MAAM,CAAC,CAAC;QACpE,OAAO,KAAK,CAAC,MAAM,CAAC,EAAE,aAAa,EAAE,IAAI,EAAE,CAAC,CAAC;IACjD,CAAC;IAED,+CAAoB,GAApB,UAAqB,IAAqB;QACtC,OAAO,IAAI,CAAC,SAAS,CAAC,WAAW,KAAK,eAAe,CAAC,KAAK,CAAC,kBAAkB,CAAC;IACnF,CAAC;IAED,uDAAuD;IACjD,6CAAkB,GAAxB,UAAyB,SAAgD,EAAE,MAAgC,EAAE,GAAW,EAAE,IAAe;;;;;;;wBAC/H,KAAK,GAAG,IAAI,CAAC,SAAS,CAAC;wBAEvB,IAAI,GAAG,KAAK,CAAC,KAAK,EAAE,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;wBAEnC,MAAM,GAAG,8BAAuB,GAAG,CAAE,CAAC;wBACtC,SAAS,GAAG,IAAI,CAAC,mBAAmB,CAAC,MAAM,EAAE,eAAe,CAAC,KAAK,CAAC,kBAAkB,EAAE,MAAM,EAAE;4BACjG,IAAI,EAAE,IAAI,CAAC,CAAC,iCAAK,IAAI,UAAE,MAAM,UAAE,CAAC,CAAC,CAAC,MAAM,CAAC;yBAC5C,CAAC,CAAC;wBAEH,qBAAM,SAAS,CAAC,MAAM,EAAE,EAAA;;wBAAxB,SAAwB,CAAC;wBAEnB,QAAQ,GAAG,SAAS,CAAC,QAAQ,CAAC;6BAEhC,CAAA,CAAC,QAAQ,CAAC,IAA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@@ -121,7 +121,7 @@ var DataFormatRegistry = /** @class */ (function () {
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121
121
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return this._map.get(name);
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122
122
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}
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123
123
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else {
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124
|
-
throw new Error("unknown data format name '"
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124
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+
throw new Error("unknown data format name '".concat(name, "'"));
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125
125
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}
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126
126
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};
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127
127
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Object.defineProperty(DataFormatRegistry.prototype, "list", {
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@@ -1 +1 @@
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1
|
-
{"version":3,"file":"registry.js","sourceRoot":"","sources":["../../../src/mol-plugin-state/formats/registry.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAKH,OAAO,EAAE,wBAAwB,EAAE,MAAM,cAAc,CAAC;AACxD,OAAO,EAAE,oBAAoB,EAAE,MAAM,UAAU,CAAC;AAChD,OAAO,EAAE,mBAAmB,EAAE,MAAM,SAAS,CAAC;AAC9C,OAAO,EAAE,uBAAuB,EAAE,MAAM,aAAa,CAAC;AAEtD;IAsCI;QArCQ,UAAK,GAAqD,EAAE,CAAA;QAC5D,SAAI,GAAG,IAAI,GAAG,EAA8B,CAAA;QAC5C,gBAAW,GAA4B,SAAS,CAAA;QAChD,sBAAiB,GAA4B,SAAS,CAAA;QACtD,aAAQ,GAA2C,SAAS,CAAA;QAkChE,KAAsB,UAAoB,EAApB,6CAAoB,EAApB,kCAAoB,EAApB,IAAoB;YAA/B,IAAA,+BAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA2B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;QAC5D,KAAsB,UAAuB,EAAvB,mDAAuB,EAAvB,qCAAuB,EAAvB,IAAuB;YAAlC,IAAA,kCAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA8B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;QAC/D,KAAsB,UAAmB,EAAnB,2CAAmB,EAAnB,iCAAmB,EAAnB,IAAmB;YAA9B,IAAA,8BAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA0B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;QAC3D,KAAsB,UAAwB,EAAxB,qDAAwB,EAAxB,sCAAwB,EAAxB,IAAwB;YAAnC,IAAA,mCAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA+B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;IACpE,CAAC;IApCD,sBAAI,qCAAK;aAAT;YACI,OAAO,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,QAAQ,CAAC,KAAK,CAAqB,EAA9C,CAA8C,CAAC,CAAC;QAC/E,CAAC;;;OAAA;IAED,sBAAI,0CAAU;aAAd;YACI,IAAI,IAAI,CAAC,WAAW;gBAAE,OAAO,IAAI,CAAC,WAAW,CAAC;YAC9C,IAAM,UAAU,GAAG,IAAI,GAAG,EAAU,CAAC;YACrC,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,UAAC,EAAY;;oBAAV,QAAQ,cAAA;gBAC1B,MAAA,QAAQ,CAAC,gBAAgB,0CAAE,OAAO,CAAC,UAAA,GAAG,IAAI,OAAA,UAAU,CAAC,GAAG,CAAC,GAAG,CAAC,EAAnB,CAAmB,CAAC,CAAC;gBAC/D,MAAA,QAAQ,CAAC,gBAAgB,0CAAE,OAAO,CAAC,UAAA,GAAG,IAAI,OAAA,UAAU,CAAC,GAAG,CAAC,GAAG,CAAC,EAAnB,CAAmB,CAAC,CAAC;YACnE,CAAC,CAAC,CAAC;YACH,IAAI,CAAC,WAAW,GAAG,UAAU,CAAC;YAC9B,OAAO,UAAU,CAAC;QACtB,CAAC;;;OAAA;IAED,sBAAI,gDAAgB;aAApB;YACI,IAAI,IAAI,CAAC,iBAAiB;gBAAE,OAAO,IAAI,CAAC,iBAAiB,CAAC;YAC1D,IAAM,gBAAgB,GAAG,IAAI,GAAG,EAAU,CAAC;YAC3C,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,UAAC,EAAY;;oBAAV,QAAQ,cAAA;gBAAO,OAAA,MAAA,QAAQ,CAAC,gBAAgB,0CAAE,OAAO,CAAC,UAAA,GAAG,IAAI,OAAA,gBAAgB,CAAC,GAAG,CAAC,GAAG,CAAC,EAAzB,CAAyB,CAAC,CAAA;aAAA,CAAC,CAAC;YAC3G,IAAI,CAAC,iBAAiB,GAAG,gBAAgB,CAAC;YAC1C,OAAO,gBAAgB,CAAC;QAC5B,CAAC;;;OAAA;IAED,sBAAI,uCAAO;aAAX;YACI,IAAI,IAAI,CAAC,QAAQ;gBAAE,OAAO,IAAI,CAAC,QAAQ,CAAC;YACxC,IAAM,OAAO,GAA+B,EAAE,CAAC;YAC/C,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,UAAC,EAAkB;oBAAhB,IAAI,UAAA,EAAE,QAAQ,cAAA;gBAAO,OAAA,OAAO,CAAC,IAAI,CAAC,CAAC,IAAI,EAAE,QAAQ,CAAC,KAAK,EAAE,QAAQ,CAAC,QAAQ,IAAI,EAAE,CAAC,CAAC;YAA7D,CAA6D,CAAC,CAAC;YAC1G,IAAI,CAAC,QAAQ,GAAG,OAAO,CAAC;YACxB,OAAO,OAAO,CAAC;QACnB,CAAC;;;OAAA;IAOA,CAAC;IAEM,mCAAM,GAAd;QACI,IAAI,CAAC,WAAW,GAAG,SAAS,CAAC;QAC7B,IAAI,CAAC,iBAAiB,GAAG,SAAS,CAAC;QACnC,IAAI,CAAC,QAAQ,GAAG,SAAS,CAAC;IAC9B,CAAC;IAED,gCAAG,GAAH,UAAI,IAAY,EAAE,QAA4B;QAC1C,IAAI,CAAC,MAAM,EAAE,CAAC;QACd,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,EAAE,IAAI,MAAA,EAAE,QAAQ,UAAA,EAAE,CAAC,CAAC;QACpC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,QAAQ,CAAC,CAAC;IAClC,CAAC;IAED,mCAAM,GAAN,UAAO,IAAY;QACf,IAAI,CAAC,MAAM,EAAE,CAAC;QACd,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,SAAS,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,KAAK,IAAI,EAAf,CAAe,CAAC,EAAE,CAAC,CAAC,CAAC;QACjE,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IAC3B,CAAC;IAED,iCAAI,GAAJ,UAAK,IAAc,EAAE,eAA8E;QAC/F,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,IAAI,CAAC,IAAI,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YACxC,IAAA,QAAQ,GAAK,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,SAAlB,CAAmB;YAEnC,IAAI,MAAM,GAAG,KAAK,CAAC;YACnB,IAAI,QAAQ,CAAC,gBAAgB,IAAI,QAAQ,CAAC,gBAAgB,CAAC,OAAO,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC;gBAAE,MAAM,GAAG,IAAI,CAAC;iBAC5F,IAAI,QAAQ,CAAC,gBAAgB,IAAI,QAAQ,CAAC,gBAAgB,CAAC,OAAO,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC;gBAAE,MAAM,GAAG,IAAI,CAAC;YACtG,IAAI,MAAM,IAAI,CAAC,CAAC,QAAQ,CAAC,YAAY,IAAI,QAAQ,CAAC,YAAY,CAAC,IAAI,EAAE,eAAe,CAAC,IAAI,CAAC,CAAC;gBAAE,OAAO,QAAQ,CAAC;SAChH;QACD,OAAO;IACX,CAAC;IAED,gCAAG,GAAH,UAAI,IAAY;QACZ,IAAI,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,EAAE;YACrB,OAAO,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;SAC/B;aAAM;YACH,MAAM,IAAI,KAAK,CAAC
|
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1
|
+
{"version":3,"file":"registry.js","sourceRoot":"","sources":["../../../src/mol-plugin-state/formats/registry.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAKH,OAAO,EAAE,wBAAwB,EAAE,MAAM,cAAc,CAAC;AACxD,OAAO,EAAE,oBAAoB,EAAE,MAAM,UAAU,CAAC;AAChD,OAAO,EAAE,mBAAmB,EAAE,MAAM,SAAS,CAAC;AAC9C,OAAO,EAAE,uBAAuB,EAAE,MAAM,aAAa,CAAC;AAEtD;IAsCI;QArCQ,UAAK,GAAqD,EAAE,CAAA;QAC5D,SAAI,GAAG,IAAI,GAAG,EAA8B,CAAA;QAC5C,gBAAW,GAA4B,SAAS,CAAA;QAChD,sBAAiB,GAA4B,SAAS,CAAA;QACtD,aAAQ,GAA2C,SAAS,CAAA;QAkChE,KAAsB,UAAoB,EAApB,6CAAoB,EAApB,kCAAoB,EAApB,IAAoB;YAA/B,IAAA,+BAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA2B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;QAC5D,KAAsB,UAAuB,EAAvB,mDAAuB,EAAvB,qCAAuB,EAAvB,IAAuB;YAAlC,IAAA,kCAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA8B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;QAC/D,KAAsB,UAAmB,EAAnB,2CAAmB,EAAnB,iCAAmB,EAAnB,IAAmB;YAA9B,IAAA,8BAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA0B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;QAC3D,KAAsB,UAAwB,EAAxB,qDAAwB,EAAxB,sCAAwB,EAAxB,IAAwB;YAAnC,IAAA,mCAAO,EAAN,EAAE,QAAA,EAAE,CAAC,QAAA;YAA+B,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;SAAA;IACpE,CAAC;IApCD,sBAAI,qCAAK;aAAT;YACI,OAAO,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,QAAQ,CAAC,KAAK,CAAqB,EAA9C,CAA8C,CAAC,CAAC;QAC/E,CAAC;;;OAAA;IAED,sBAAI,0CAAU;aAAd;YACI,IAAI,IAAI,CAAC,WAAW;gBAAE,OAAO,IAAI,CAAC,WAAW,CAAC;YAC9C,IAAM,UAAU,GAAG,IAAI,GAAG,EAAU,CAAC;YACrC,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,UAAC,EAAY;;oBAAV,QAAQ,cAAA;gBAC1B,MAAA,QAAQ,CAAC,gBAAgB,0CAAE,OAAO,CAAC,UAAA,GAAG,IAAI,OAAA,UAAU,CAAC,GAAG,CAAC,GAAG,CAAC,EAAnB,CAAmB,CAAC,CAAC;gBAC/D,MAAA,QAAQ,CAAC,gBAAgB,0CAAE,OAAO,CAAC,UAAA,GAAG,IAAI,OAAA,UAAU,CAAC,GAAG,CAAC,GAAG,CAAC,EAAnB,CAAmB,CAAC,CAAC;YACnE,CAAC,CAAC,CAAC;YACH,IAAI,CAAC,WAAW,GAAG,UAAU,CAAC;YAC9B,OAAO,UAAU,CAAC;QACtB,CAAC;;;OAAA;IAED,sBAAI,gDAAgB;aAApB;YACI,IAAI,IAAI,CAAC,iBAAiB;gBAAE,OAAO,IAAI,CAAC,iBAAiB,CAAC;YAC1D,IAAM,gBAAgB,GAAG,IAAI,GAAG,EAAU,CAAC;YAC3C,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,UAAC,EAAY;;oBAAV,QAAQ,cAAA;gBAAO,OAAA,MAAA,QAAQ,CAAC,gBAAgB,0CAAE,OAAO,CAAC,UAAA,GAAG,IAAI,OAAA,gBAAgB,CAAC,GAAG,CAAC,GAAG,CAAC,EAAzB,CAAyB,CAAC,CAAA;aAAA,CAAC,CAAC;YAC3G,IAAI,CAAC,iBAAiB,GAAG,gBAAgB,CAAC;YAC1C,OAAO,gBAAgB,CAAC;QAC5B,CAAC;;;OAAA;IAED,sBAAI,uCAAO;aAAX;YACI,IAAI,IAAI,CAAC,QAAQ;gBAAE,OAAO,IAAI,CAAC,QAAQ,CAAC;YACxC,IAAM,OAAO,GAA+B,EAAE,CAAC;YAC/C,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,UAAC,EAAkB;oBAAhB,IAAI,UAAA,EAAE,QAAQ,cAAA;gBAAO,OAAA,OAAO,CAAC,IAAI,CAAC,CAAC,IAAI,EAAE,QAAQ,CAAC,KAAK,EAAE,QAAQ,CAAC,QAAQ,IAAI,EAAE,CAAC,CAAC;YAA7D,CAA6D,CAAC,CAAC;YAC1G,IAAI,CAAC,QAAQ,GAAG,OAAO,CAAC;YACxB,OAAO,OAAO,CAAC;QACnB,CAAC;;;OAAA;IAOA,CAAC;IAEM,mCAAM,GAAd;QACI,IAAI,CAAC,WAAW,GAAG,SAAS,CAAC;QAC7B,IAAI,CAAC,iBAAiB,GAAG,SAAS,CAAC;QACnC,IAAI,CAAC,QAAQ,GAAG,SAAS,CAAC;IAC9B,CAAC;IAED,gCAAG,GAAH,UAAI,IAAY,EAAE,QAA4B;QAC1C,IAAI,CAAC,MAAM,EAAE,CAAC;QACd,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,EAAE,IAAI,MAAA,EAAE,QAAQ,UAAA,EAAE,CAAC,CAAC;QACpC,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,QAAQ,CAAC,CAAC;IAClC,CAAC;IAED,mCAAM,GAAN,UAAO,IAAY;QACf,IAAI,CAAC,MAAM,EAAE,CAAC;QACd,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,SAAS,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,KAAK,IAAI,EAAf,CAAe,CAAC,EAAE,CAAC,CAAC,CAAC;QACjE,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IAC3B,CAAC;IAED,iCAAI,GAAJ,UAAK,IAAc,EAAE,eAA8E;QAC/F,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,IAAI,CAAC,IAAI,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YACxC,IAAA,QAAQ,GAAK,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,SAAlB,CAAmB;YAEnC,IAAI,MAAM,GAAG,KAAK,CAAC;YACnB,IAAI,QAAQ,CAAC,gBAAgB,IAAI,QAAQ,CAAC,gBAAgB,CAAC,OAAO,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC;gBAAE,MAAM,GAAG,IAAI,CAAC;iBAC5F,IAAI,QAAQ,CAAC,gBAAgB,IAAI,QAAQ,CAAC,gBAAgB,CAAC,OAAO,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC;gBAAE,MAAM,GAAG,IAAI,CAAC;YACtG,IAAI,MAAM,IAAI,CAAC,CAAC,QAAQ,CAAC,YAAY,IAAI,QAAQ,CAAC,YAAY,CAAC,IAAI,EAAE,eAAe,CAAC,IAAI,CAAC,CAAC;gBAAE,OAAO,QAAQ,CAAC;SAChH;QACD,OAAO;IACX,CAAC;IAED,gCAAG,GAAH,UAAI,IAAY;QACZ,IAAI,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,EAAE;YACrB,OAAO,IAAI,CAAC,IAAI,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC;SAC/B;aAAM;YACH,MAAM,IAAI,KAAK,CAAC,oCAA6B,IAAI,MAAG,CAAC,CAAC;SACzD;IACL,CAAC;IAED,sBAAI,oCAAI;aAAR;YACI,OAAO,IAAI,CAAC,KAAK,CAAC;QACtB,CAAC;;;OAAA;IACL,yBAAC;AAAD,CAAC,AAtFD,IAsFC"}
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@@ -69,17 +69,17 @@ export declare const CubeProvider: {
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structure: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Molecule.Model, PluginStateObject.Molecule.Structure, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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type: import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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}>, "auto"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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}>, "symmetry"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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+
}>, "model"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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+
dynamicBonds: any;
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id: any;
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}>, "assembly"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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-
}>, "auto"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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-
}>, "model"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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radius: any;
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}>, "symmetry-mates"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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@@ -150,17 +150,17 @@ export declare const BuiltInVolumeFormats: readonly [readonly ["ccp4", {
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structure: StateObjectSelector<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Molecule.Model, PluginStateObject.Molecule.Structure, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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type: import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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+
}>, "auto"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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ijkMin: any;
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ijkMax: any;
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}>, "symmetry"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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+
}>, "model"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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+
dynamicBonds: any;
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id: any;
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}>, "assembly"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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-
}>, "auto"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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-
}>, "model"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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radius: any;
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}>, "symmetry-mates"> | import("../../mol-util/param-definition").ParamDefinition.NamedParams<import("../../mol-util/param-definition").ParamDefinition.Normalize<{
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dynamicBonds: any;
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@@ -14,17 +14,17 @@ export declare namespace RootStructureDefinition {
|
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14
14
|
function getParams(model?: Model, defaultValue?: 'auto' | 'model' | 'assembly' | 'symmetry' | 'symmetry-mates' | 'symmetry-assembly'): {
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|
type: PD.Mapped<PD.NamedParams<PD.Normalize<{
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dynamicBonds: boolean | undefined;
|
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17
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+
}>, "auto"> | PD.NamedParams<PD.Normalize<{
|
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|
+
dynamicBonds: boolean | undefined;
|
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17
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|
ijkMin: Vec3;
|
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18
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ijkMax: Vec3;
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|
}>, "symmetry"> | PD.NamedParams<PD.Normalize<{
|
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20
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|
dynamicBonds: boolean | undefined;
|
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23
|
+
}>, "model"> | PD.NamedParams<PD.Normalize<{
|
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|
+
dynamicBonds: boolean | undefined;
|
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|
id: string | undefined;
|
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22
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|
}>, "assembly"> | PD.NamedParams<PD.Normalize<{
|
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|
dynamicBonds: boolean | undefined;
|
|
24
|
-
}>, "auto"> | PD.NamedParams<PD.Normalize<{
|
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|
-
dynamicBonds: boolean | undefined;
|
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|
-
}>, "model"> | PD.NamedParams<PD.Normalize<{
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|
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dynamicBonds: boolean | undefined;
|
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radius: number;
|
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}>, "symmetry-mates"> | PD.NamedParams<PD.Normalize<{
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dynamicBonds: boolean | undefined;
|
|
@@ -20,19 +20,19 @@ export var RootStructureDefinition;
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(function (RootStructureDefinition) {
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function getParams(model, defaultValue) {
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var symmetry = model && ModelSymmetry.Provider.get(model);
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var assemblyIds = symmetry ? symmetry.assemblies.map(function (a) { return [a.id, a.id
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var assemblyIds = symmetry ? symmetry.assemblies.map(function (a) { return [a.id, "".concat(a.id, ": ").concat(stringToWords(a.details))]; }) : [];
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var showSymm = !symmetry ? true : !SpacegroupCell.isZero(symmetry.spacegroup.cell);
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var operatorOptions = [];
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if (symmetry) {
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var operators = symmetry.spacegroup.operators;
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for (var i = 0, il = operators.length; i < il; i++) {
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operatorOptions.push([i, i + 1
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operatorOptions.push([i, "".concat(i + 1, ": ").concat(Spacegroup.getOperatorXyz(operators[i]))]);
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}
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}
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var asymIdsOptions = [];
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if (model) {
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model.properties.structAsymMap.forEach(function (v) {
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var label = v.id === v.auth_id ? v.id : v.id
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var label = v.id === v.auth_id ? v.id : "".concat(v.id, " [auth ").concat(v.auth_id, "]");
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asymIdsOptions.push([v.id, label]);
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});
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}
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@@ -48,11 +48,11 @@ export var RootStructureDefinition;
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operators: PD.ObjectList({
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index: PD.Select(0, operatorOptions),
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shift: PD.Vec3(Vec3(), { step: 1 }, { label: 'IJK', fieldLabels: { x: 'I', y: 'J', z: 'K' } })
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}, function (e) { return e.index + 1
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}, function (e) { return "".concat(e.index + 1, "_").concat(e.shift.map(function (a) { return a + 5; }).join('')); }, {
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defaultValue: []
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}),
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asymIds: PD.MultiSelect([], asymIdsOptions)
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}, function (e) { return e.asymIds.length
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}, function (e) { return "".concat(e.asymIds.length, " asym ids, ").concat(e.operators.length, " operators"); }, {
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defaultValue: []
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}) }, CommonStructureParams), { isFlat: true })
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};
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@@ -93,12 +93,12 @@ export var RootStructureDefinition;
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id = symmetry.assemblies[0].id;
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}
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if (!symmetry || symmetry.assemblies.length === 0) {
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plugin.log.warn("Model '"
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plugin.log.warn("Model '".concat(model.entryId, "' has no assembly, returning model structure."));
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}
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else {
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asm = Symmetry.findAssembly(model, id || '');
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if (!asm) {
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plugin.log.warn("Model '"
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plugin.log.warn("Model '".concat(model.entryId, "' has no assembly called '").concat(id, "', returning model structure."));
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}
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}
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base = Structure.ofModel(model, props);
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@@ -110,7 +110,7 @@ export var RootStructureDefinition;
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return [4 /*yield*/, StructureSymmetry.buildAssembly(base, id).runInContext(ctx)];
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case 1:
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s = _a.sent();
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objProps = { label: "Assembly "
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objProps = { label: "Assembly ".concat(id), description: Structure.elementDescription(s) };
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return [2 /*return*/, new SO.Molecule.Structure(s, objProps)];
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}
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});
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@@ -126,7 +126,7 @@ export var RootStructureDefinition;
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return [4 /*yield*/, StructureSymmetry.buildSymmetryRange(base, ijkMin, ijkMax).runInContext(ctx)];
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case 1:
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s = _a.sent();
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objProps = { label: "Symmetry ["
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objProps = { label: "Symmetry [".concat(ijkMin, "] to [").concat(ijkMax, "]"), description: Structure.elementDescription(s) };
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return [2 /*return*/, new SO.Molecule.Structure(s, objProps)];
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}
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});
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@@ -195,7 +195,7 @@ export var RootStructureDefinition;
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if (params.name === 'symmetry-assembly') {
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return [2 /*return*/, buildSymmetryAssembly(ctx, model, params.params.generators, symmetry, props)];
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}
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-
throw new Error("Unknown represetation type: "
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throw new Error("Unknown represetation type: ".concat(params.name));
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});
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});
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}
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@@ -1 +1 @@
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1
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-
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1
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+
{"version":3,"file":"root-structure.js","sourceRoot":"","sources":["../../../src/mol-plugin-state/helpers/root-structure.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;;AAEH,OAAO,EAAS,SAAS,EAAE,iBAAiB,EAAE,MAAM,2BAA2B,CAAC;AAChF,OAAO,EAAE,aAAa,EAAE,MAAM,uBAAuB,CAAC;AACtD,OAAO,EAAE,cAAc,EAAE,UAAU,EAAE,MAAM,yBAAyB,CAAC;AACrE,OAAO,EAAE,eAAe,IAAI,EAAE,EAAE,MAAM,iCAAiC,CAAC;AACxE,OAAO,EAAE,IAAI,EAAE,MAAM,+BAA+B,CAAC;AAGrD,OAAO,EAAY,QAAQ,EAAE,MAAM,qDAAqD,CAAC;AACzF,OAAO,EAAE,iBAAiB,IAAI,EAAE,EAAE,MAAM,YAAY,CAAC;AACrD,OAAO,EAAE,aAAa,EAAE,MAAM,qDAAqD,CAAC;AAEpF,IAAM,qBAAqB,GAAG;IAC1B,YAAY,EAAE,EAAE,CAAC,QAAQ,CAAC,EAAE,CAAC,OAAO,CAAC,KAAK,EAAE,EAAE,WAAW,EAAE,oHAAoH,EAAE,CAAC,CAAC;CACtL,CAAC;AAGF,MAAM,KAAW,uBAAuB,CAyKvC;AAzKD,WAAiB,uBAAuB;IACpC,SAAgB,SAAS,CAAC,KAAa,EAAE,YAAkG;QACvI,IAAM,QAAQ,GAAG,KAAK,IAAI,aAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QAE5D,IAAM,WAAW,GAAG,QAAQ,CAAC,CAAC,CAAC,QAAQ,CAAC,UAAU,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,CAAC,EAAE,EAAE,UAAG,CAAC,CAAC,EAAE,eAAK,aAAa,CAAC,CAAC,CAAC,OAAO,CAAC,CAAE,CAAqB,EAAlE,CAAkE,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC;QACrI,IAAM,QAAQ,GAAG,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,MAAM,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC;QAErF,IAAM,eAAe,GAAuB,EAAE,CAAC;QAC/C,IAAI,QAAQ,EAAE;YACF,IAAA,SAAS,GAAK,QAAQ,CAAC,UAAU,UAAxB,CAAyB;YAC1C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;gBAChD,eAAe,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,UAAG,CAAC,GAAG,CAAC,eAAK,UAAU,CAAC,cAAc,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,CAAE,CAAC,CAAC,CAAC;aACrF;SACJ;QAED,IAAM,cAAc,GAAuB,EAAE,CAAC;QAC9C,IAAI,KAAK,EAAE;YACP,KAAK,CAAC,UAAU,CAAC,aAAa,CAAC,OAAO,CAAC,UAAA,CAAC;gBACpC,IAAM,KAAK,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,UAAG,CAAC,CAAC,EAAE,oBAAU,CAAC,CAAC,OAAO,MAAG,CAAC;gBACxE,cAAc,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,EAAE,EAAE,KAAK,CAAC,CAAC,CAAC;YACvC,CAAC,CAAC,CAAC;SACN;QAED,IAAM,KAAK,GAAG;YACV,IAAI,EAAE,EAAE,CAAC,KAAK,CAAC,qBAAqB,CAAC;YACrC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,qBAAqB,CAAC;YACtC,QAAQ,EAAE,EAAE,CAAC,KAAK,YACd,EAAE,EAAE,EAAE,CAAC,QAAQ,CAAC,KAAK;oBACjB,CAAC,CAAC,EAAE,CAAC,MAAM,CAAC,WAAW,CAAC,MAAM,CAAC,CAAC,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,EAAE,WAAW,EAAE,EAAE,KAAK,EAAE,QAAQ,EAAE,WAAW,EAAE,aAAa,EAAE,CAAC;oBACtH,CAAC,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,EAAE,EAAE,KAAK,EAAE,QAAQ,EAAE,WAAW,EAAE,8CAA8C,EAAE,CAAC,CAAC,IACjG,qBAAqB,GACzB,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;YACpB,gBAAgB,EAAE,EAAE,CAAC,KAAK,YACtB,MAAM,EAAE,EAAE,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,IAAI,EAAE,CAAC,EAAE,CAAC,IAChD,qBAAqB,GACzB,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;YACpB,UAAU,EAAE,EAAE,CAAC,KAAK,YAChB,MAAM,EAAE,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,WAAW,EAAE,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,CAAC,EACpH,MAAM,EAAE,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,WAAW,EAAE,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,CAAC,IAC9G,qBAAqB,GACzB,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;YACpB,mBAAmB,EAAE,EAAE,CAAC,KAAK,YACzB,UAAU,EAAE,EAAE,CAAC,UAAU,CAAC;oBACtB,SAAS,EAAE,EAAE,CAAC,UAAU,CAAC;wBACrB,KAAK,EAAE,EAAE,CAAC,MAAM,CAAC,CAAC,EAAE,eAAe,CAAC;wBACpC,KAAK,EAAE,EAAE,CAAC,IAAI,CAAC,IAAI,EAAE,EAAE,EAAE,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,KAAK,EAAE,KAAK,EAAE,WAAW,EAAE,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,CAAC;qBACjG,EAAE,UAAA,CAAC,IAAI,OAAA,UAAG,CAAC,CAAC,KAAK,GAAG,CAAC,cAAI,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,GAAG,CAAC,EAAL,CAAK,CAAC,CAAC,IAAI,CAAC,EAAE,CAAC,CAAE,EAApD,CAAoD,EAAE;wBAC1D,YAAY,EAAE,EAAsC;qBACvD,CAAC;oBACF,OAAO,EAAE,EAAE,CAAC,WAAW,CAAC,EAAc,EAAE,cAAc,CAAC;iBAC1D,EAAE,UAAA,CAAC,IAAI,OAAA,UAAG,CAAC,CAAC,OAAO,CAAC,MAAM,wBAAc,CAAC,CAAC,SAAS,CAAC,MAAM,eAAY,EAA/D,CAA+D,EAAE;oBACrE,YAAY,EAAE,EAA0E;iBAC3F,CAAC,IACC,qBAAqB,GACzB,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;SACvB,CAAC;QAEF,IAAM,OAAO,GAAmC,EAAE,CAAC;QAEnD,IAAI,YAAY,KAAK,MAAM,EAAE;YACzB,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,MAAM,CAAC,CAAC,CAAC;SAClC;QAED,OAAO,CAAC,IAAI,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC;QAEjC,IAAI,WAAW,CAAC,MAAM,GAAG,CAAC,EAAE;YACxB,OAAO,CAAC,IAAI,CAAC,CAAC,UAAU,EAAE,UAAU,CAAC,CAAC,CAAC;SAC1C;QAED,IAAI,QAAQ,EAAE;YACV,OAAO,CAAC,IAAI,CAAC,CAAC,gBAAgB,EAAE,gBAAgB,CAAC,CAAC,CAAC;YACnD,OAAO,CAAC,IAAI,CAAC,CAAC,UAAU,EAAE,oBAAoB,CAAC,CAAC,CAAC;YACjD,OAAO,CAAC,IAAI,CAAC,CAAC,mBAAmB,EAAE,qBAAqB,CAAC,CAAC,CAAC;SAC9D;QAED,OAAO;YACH,IAAI,EAAE,EAAE,CAAC,YAAY,CAAC,YAAY,IAAI,OAAO,EAAE,KAAK,EAAE,EAAE,OAAO,SAAA,EAAE,CAAC;SACrE,CAAC;IACN,CAAC;IA7Ee,iCAAS,YA6ExB,CAAA;IAID,SAAgB,aAAa,CAAC,SAAiB,EAAE,SAAiB;QAC9D,IAAI,SAAS,CAAC,IAAI,KAAK,mBAAmB,IAAI,CAAC,SAAS,CAAC,IAAI,KAAK,UAAU,IAAI,SAAS,CAAC,IAAI,KAAK,UAAU,CAAC;YAAE,OAAO,KAAK,CAAC;QAC7H,OAAO,IAAI,CAAC;IAChB,CAAC;IAHe,qCAAa,gBAG5B,CAAA;IAED,SAAe,aAAa,CAAC,MAAqB,EAAE,GAAmB,EAAE,KAAY,EAAE,EAAW,EAAE,KAA4B;;;;;;wBACxH,GAAG,GAAy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@@ -13,7 +13,7 @@ import { Script } from '../../mol-script/script';
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13
13
|
export declare const StaticStructureComponentTypes: readonly ["all", "polymer", "protein", "nucleic", "water", "ion", "lipid", "branched", "ligand", "non-standard", "coarse"];
|
|
14
14
|
export declare type StaticStructureComponentType = (typeof StaticStructureComponentTypes)[number];
|
|
15
15
|
export declare const StructureComponentParams: () => {
|
|
16
|
-
type: PD.Mapped<PD.NamedParams<Script, "script"> | PD.NamedParams<"polymer" | "water" | "branched" | "ligand" | "ion" | "
|
|
16
|
+
type: PD.Mapped<PD.NamedParams<Script, "script"> | PD.NamedParams<"polymer" | "water" | "branched" | "ligand" | "ion" | "lipid" | "all" | "coarse" | "protein" | "nucleic" | "non-standard", "static"> | PD.NamedParams<StructureElement.Bundle, "bundle"> | PD.NamedParams<Expression, "expression">>;
|
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17
17
|
nullIfEmpty: PD.Base<boolean | undefined>;
|
|
18
18
|
label: PD.Text<string>;
|
|
19
19
|
};
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@@ -21,7 +21,7 @@ export declare type StructureComponentParams = PD.ValuesFor<ReturnType<typeof St
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21
21
|
export declare function createStructureComponent(a: Structure, params: StructureComponentParams, cache: {
|
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22
22
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source: Structure;
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23
23
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entry?: StructureQueryHelper.CacheEntry;
|
|
24
|
-
}):
|
|
24
|
+
}): StateObject<any, any> | SO.Molecule.Structure;
|
|
25
25
|
export declare function updateStructureComponent(a: Structure, b: SO.Molecule.Structure, oldParams: StructureComponentParams, newParams: StructureComponentParams, cache: {
|
|
26
26
|
source: Structure;
|
|
27
27
|
entry?: StructureQueryHelper.CacheEntry;
|
|
@@ -86,7 +86,7 @@ export function createStructureComponent(a, params, cache) {
|
|
|
86
86
|
query = StructureSelectionQueries.coarse.query;
|
|
87
87
|
label = 'Coarse';
|
|
88
88
|
break;
|
|
89
|
-
default: throw new Error(params.type
|
|
89
|
+
default: throw new Error("".concat(params.type, " is a not valid complex element."));
|
|
90
90
|
}
|
|
91
91
|
var result = query(new QueryContext(a));
|
|
92
92
|
component = Sel.unionStructure(result);
|
|
@@ -108,7 +108,7 @@ export function createStructureComponent(a, params, cache) {
|
|
|
108
108
|
}
|
|
109
109
|
if (params.nullIfEmpty && component.elementCount === 0)
|
|
110
110
|
return StateObject.Null;
|
|
111
|
-
var props = { label: ""
|
|
111
|
+
var props = { label: "".concat(params.label || label || 'Component'), description: Structure.elementDescription(component) };
|
|
112
112
|
return new SO.Molecule.Structure(component, props);
|
|
113
113
|
}
|
|
114
114
|
export function updateStructureComponent(a, b, oldParams, newParams, cache) {
|
|
@@ -171,7 +171,7 @@ export function updateStructureComponent(a, b, oldParams, newParams, cache) {
|
|
|
171
171
|
}
|
|
172
172
|
if (oldParams.label !== newParams.label) {
|
|
173
173
|
updated = true;
|
|
174
|
-
b.label = ""
|
|
174
|
+
b.label = "".concat(newParams.label || b.label);
|
|
175
175
|
}
|
|
176
176
|
return updated ? StateTransformer.UpdateResult.Updated : StateTransformer.UpdateResult.Unchanged;
|
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177
177
|
}
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@@ -1 +1 @@
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1
|
-
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1
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@@ -41,7 +41,7 @@ var StructureQueryHelper;
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41
41
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StructureQueryHelper.updateStructure = updateStructure;
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42
42
|
function updateStructureObject(obj, selection, label) {
|
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43
43
|
var s = Sel.unionStructure(selection);
|
|
44
|
-
obj.label = ""
|
|
44
|
+
obj.label = "".concat(label || 'Selection');
|
|
45
45
|
obj.description = Structure.elementDescription(s);
|
|
46
46
|
obj.data = s;
|
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47
47
|
}
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@@ -1 +1 @@
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1
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-
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|
|
1
|
+
{"version":3,"file":"structure-query.js","sourceRoot":"","sources":["../../../src/mol-plugin-state/helpers/structure-query.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAGH,OAAO,EAAW,SAAS,EAAE,kBAAkB,IAAI,GAAG,EAAE,YAAY,EAAE,MAAM,2BAA2B,CAAC;AACxG,OAAO,EAAE,MAAM,EAAE,MAAM,yBAAyB,CAAC;AACjD,OAAO,EAAE,OAAO,EAAE,MAAM,yCAAyC,CAAC;AAGlE,OAAO,EAAE,oBAAoB,EAAE,CAAC;AAChC,IAAU,oBAAoB,CA6C7B;AA7CD,WAAU,oBAAoB;IAS1B,SAAgB,WAAW,CAAC,KAAiB,EAAE,KAA0B,EAAE,SAAoB;QAC3F,IAAI,KAAK,CAAC,gBAAgB,KAAK,SAAS;YAAE,OAAO,KAAK,CAAC;QACvD,IAAI,MAAM,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE;YAClB,OAAO,CAAC,CAAC,KAAK,CAAC,MAAM,IAAI,MAAM,CAAC,QAAQ,CAAC,KAAK,CAAC,MAAM,EAAE,KAAK,CAAC,CAAC;SACjE;QACD,OAAO,KAAK,CAAC,UAAU,KAAK,KAAK,CAAC;IACtC,CAAC;IANe,gCAAW,cAM1B,CAAA;IAED,SAAgB,MAAM,CAAC,SAAoB,EAAE,KAA0B;QACnE,IAAM,MAAM,GAAG,MAAM,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC;QACjD,IAAM,UAAU,GAAG,MAAM,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC;QACzE,IAAM,QAAQ,GAAG,OAAO,CAAM,UAAU,CAAC,CAAC;QAE1C,OAAO,EAAE,MAAM,QAAA,EAAE,UAAU,YAAA,EAAE,QAAQ,UAAA,EAAE,iBAAiB,EAAE,SAAS,EAAE,gBAAgB,EAAE,SAAS,EAAE,CAAC;IACvG,CAAC;IANe,2BAAM,SAMrB,CAAA;IAED,SAAgB,GAAG,CAAC,KAAiB,EAAE,SAAoB;QACvD,OAAO,KAAK,CAAC,QAAQ,CAAC,IAAI,YAAY,CAAC,SAAS,CAAC,CAAC,CAAC;IACvD,CAAC;IAFe,wBAAG,MAElB,CAAA;IAED,SAAgB,YAAY,CAAC,SAAoB,EAAE,KAA0B;QACzE,IAAM,KAAK,GAAG,MAAM,CAAC,SAAS,EAAE,KAAK,CAAC,CAAC;QACvC,OAAO,EAAE,KAAK,OAAA,EAAE,SAAS,EAAE,GAAG,CAAC,KAAK,EAAE,SAAS,CAAC,EAAE,CAAC;IACvD,CAAC;IAHe,iCAAY,eAG3B,CAAA;IAED,SAAgB,eAAe,CAAC,KAAiB,EAAE,SAAoB;QACnE,KAAK,CAAC,gBAAgB,GAAG,SAAS,CAAC;QACnC,OAAO,KAAK,CAAC,QAAQ,CAAC,IAAI,YAAY,CAAC,SAAS,CAAC,CAAC,CAAC;IACvD,CAAC;IAHe,oCAAe,kBAG9B,CAAA;IAED,SAAgB,qBAAqB,CAAC,GAA0B,EAAE,SAAc,EAAE,KAAc;QAC5F,IAAM,CAAC,GAAG,GAAG,CAAC,cAAc,CAAC,SAAS,CAAC,CAAC;QACxC,GAAG,CAAC,KAAK,GAAG,UAAG,KAAK,IAAI,WAAW,CAAE,CAAC;QACtC,GAAG,CAAC,WAAW,GAAG,SAAS,CAAC,kBAAkB,CAAC,CAAC,CAAC,CAAC;QAClD,GAAG,CAAC,IAAI,GAAG,CAAC,CAAC;IACjB,CAAC;IALe,0CAAqB,wBAKpC,CAAA;AACL,CAAC,EA7CS,oBAAoB,KAApB,oBAAoB,QA6C7B"}
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@@ -531,8 +531,8 @@ export function ResidueQuery(_a, category, priority) {
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531
531
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var names = _a[0], label = _a[1];
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532
532
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if (priority === void 0) { priority = 0; }
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533
533
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var description = names.length === 1 && !StandardResidues.has(names[0])
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534
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-
? "["
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535
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-
: label
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534
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+
? "[".concat(names[0], "] ").concat(label)
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535
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+
: "".concat(label, " (").concat(names.join(', '), ")");
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536
536
|
return StructureSelectionQuery(description, MS.struct.modifier.union([
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537
537
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MS.struct.generator.atomGroups({
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538
538
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'residue-test': MS.core.set.has([MS.set.apply(MS, names), MS.ammp('auth_comp_id')])
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@@ -541,7 +541,7 @@ export function ResidueQuery(_a, category, priority) {
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541
541
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}
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542
542
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export function ElementSymbolQuery(_a, category, priority) {
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543
543
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var names = _a[0], label = _a[1];
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544
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-
var description = label
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544
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+
var description = "".concat(label, " (").concat(names.join(', '), ")");
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545
545
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return StructureSelectionQuery(description, MS.struct.modifier.union([
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546
546
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MS.struct.generator.atomGroups({
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547
547
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'atom-test': MS.core.set.has([MS.set.apply(MS, names), MS.acp('elementSymbol')])
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@@ -550,8 +550,8 @@ export function ElementSymbolQuery(_a, category, priority) {
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550
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}
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551
551
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export function EntityDescriptionQuery(_a, category, priority) {
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552
552
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var names = _a[0], label = _a[1];
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553
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-
var description = ""
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554
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-
return StructureSelectionQuery(""
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553
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+
var description = "".concat(label);
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554
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+
return StructureSelectionQuery("".concat(label), MS.struct.modifier.union([
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555
555
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MS.struct.generator.atomGroups({
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556
556
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'entity-test': MS.core.list.equal([MS.list.apply(MS, names), MS.ammp('entityDescription')])
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557
557
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})
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