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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1
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+
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@@ -11,7 +11,7 @@ var unit_1 = require("../unit");
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var properties_1 = require("../properties");
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function property(p) { return p; }
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exports.property = property;
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14
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-
function _wrongUnitKind(kind) { throw new Error("Property only available for "
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14
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+
function _wrongUnitKind(kind) { throw new Error("Property only available for ".concat(kind, " models.")); }
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function atomicProperty(p) {
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return property(function (l) { return unit_1.Unit.isAtomic(l.unit) ? p(l) : _wrongUnitKind('atomic'); });
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}
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/structure/element/util.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAIH,gCAA+B;AAE/B,4CAAoD;AAWpD,SAAgB,QAAQ,CAAI,CAAc,IAAI,OAAO,CAAC,CAAC,CAAC,CAAC;AAAzD,4BAAyD;AAEzD,SAAS,cAAc,CAAC,IAAY,IAAI,MAAM,IAAI,KAAK,CAAC,
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1
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+
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/structure/element/util.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAIH,gCAA+B;AAE/B,4CAAoD;AAWpD,SAAgB,QAAQ,CAAI,CAAc,IAAI,OAAO,CAAC,CAAC,CAAC,CAAC;AAAzD,4BAAyD;AAEzD,SAAS,cAAc,CAAC,IAAY,IAAI,MAAM,IAAI,KAAK,CAAC,sCAA+B,IAAI,aAAU,CAAC,CAAC,CAAC,CAAC;AACzG,SAAgB,cAAc,CAAI,CAAyC;IACvE,OAAO,QAAQ,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAA0B,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,QAAQ,CAAC,EAAhF,CAAgF,CAAC,CAAC;AAC3G,CAAC;AAFD,wCAEC;AAED,SAAgB,cAAc,CAAI,CAA2D;IACzF,OAAO,QAAQ,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAA4C,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,QAAQ,CAAC,EAAlG,CAAkG,CAAC,CAAC;AAC7H,CAAC;AAFD,wCAEC;AAED,SAAgB,YAAY,CAAC,CAAW;IACpC,IAAI,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE;QACvB,OAAO,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;KACzC;SAAM;QACH,6BAA6B;QAC7B,OAAO,CAAC,CAAiB,CAAC;KAC7B;AACL,CAAC;AAPD,oCAOC;AAED,SAAgB,UAAU,CAAC,CAAW;IAClC,IAAI,WAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE;QACvB,OAAO,CAAC,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;KACvC;SAAM;QACH,6BAA6B;QAC7B,OAAO,CAAC,CAAe,CAAC;KAC3B;AACL,CAAC;AAPD,gCAOC;AAED,SAAgB,WAAW,CAAC,CAAW;IACnC,OAAO,gCAAmB,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;AAC7C,CAAC;AAFD,kCAEC"}
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|
@@ -68,7 +68,7 @@ declare const StructureProperties: {
|
|
|
68
68
|
id: StructureElement.Property<number>;
|
|
69
69
|
chainGroupId: StructureElement.Property<number>;
|
|
70
70
|
multiChain: StructureElement.Property<boolean>;
|
|
71
|
-
object_primitive: StructureElement.Property<"
|
|
71
|
+
object_primitive: StructureElement.Property<"sphere" | "atomistic" | "gaussian">;
|
|
72
72
|
operator_name: StructureElement.Property<string>;
|
|
73
73
|
model_index: StructureElement.Property<number>;
|
|
74
74
|
model_label: StructureElement.Property<string>;
|
|
@@ -22,7 +22,7 @@ function notAtomic() {
|
|
|
22
22
|
}
|
|
23
23
|
function notCoarse(kind) {
|
|
24
24
|
if (!!kind)
|
|
25
|
-
throw new Error("Property only available for coarse models ("
|
|
25
|
+
throw new Error("Property only available for coarse models (".concat(kind, ")."));
|
|
26
26
|
throw new Error('Property only available for coarse models.');
|
|
27
27
|
}
|
|
28
28
|
// TODO: remove the type checks?
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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AAC,CAAC,SAAS,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,kBAAkB,CAAC,IAAI,CAAC,CAAC,CAAC,OAAO,CAAC,EAA1F,CAA0F,CAAC;IAE/G,eAAe,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,WAAI,CAAC,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,kBAAkB,CAAC,MAAM,CAAC,CAAC,CAAC,OAAO,CAAC,EAAhG,CAAgG,CAAC;IACzH,0BAA0B,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,WAAI,CAAC,WAAW,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,kBAAkB,CAAC,iBAAiB,CAAC,CAAC,CAAC,OAAO,CAAC,EAA3G,CAA2G,CAAC;CAClJ,CAAC;AAEF,SAAS,EAAE,CAAC,CAA4B;IACpC,QAAQ,CAAC,CAAC,IAAI,CAAC,IAAI,EAAE;QACjB;YACI,OAAO,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC;QAC/F;YACI,OAAO,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,OAAO,CAAC,SAAS,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;QACrE;YACI,OAAO,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,SAAS,CAAC,SAAS,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;KAC1E;AACL,CAAC;AAED,IAAM,MAAM,GAAG;IACX,GAAG,EAAE,CAAC,CAAC,EAAE,CAAC;IAEV,EAAE,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAA1C,CAA0C,CAAC;IACtD,IAAI,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAA5C,CAA4C,CAAC;IAC1D,UAAU,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAlD,CAAkD,CAAC;IACtE,gBAAgB,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,gBAAgB,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAxD,CAAwD,CAAC;IAClF,cAAc,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,cAAc,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAtD,CAAsD,CAAC;IAC9E,wBAAwB,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,wBAAwB,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAhE,CAAgE,CAAC;IAClG,OAAO,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,OAAO,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAA/C,CAA+C,CAAC;IAChE,aAAa,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,aAAa,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAArD,CAAqD,CAAC;IAC5E,aAAa,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,aAAa,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAArD,CAAqD,CAAC;IAC5E,OAAO,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,OAAO,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAA/C,CAA+C,CAAC;IAEhE,OAAO,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,OAAO,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAA1C,CAA0C,CAAC;IAC3D,MAAM,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,EAAzC,CAAyC,CAAC;CAC5D,CAAC;AAEF,IAAM,UAAU,GAAU,EAAE,CAAC;AAC7B,IAAM,IAAI,GAAG;IACT,EAAE,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,EAAE,EAAT,CAAS,CAAC;IACrB,YAAY,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,YAAY,EAAnB,CAAmB,CAAC;IACzC,UAAU,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC,IAAI,CAAC,MAAM,qBAAwB,EAApD,CAAoD,CAAC;IACxE,gBAAgB,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,eAAe,EAAtB,CAAsB,CAAC;IAChD,aAAa,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,IAAI,EAAjC,CAAiC,CAAC;IACxD,WAAW,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,EAArB,CAAqB,CAAC;IAC1C,WAAW,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,KAAK,EAAlB,CAAkB,CAAC;IACvC,cAAc,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,OAAO,EAApB,CAAoB,CAAC;IAC5C,GAAG,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,GAAG,EAAhC,CAAgC,CAAC;IAC7C,MAAM,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,EAAnC,CAAmC,CAAC;IAEnD,SAAS,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,QAAQ,EAArB,CAAqB,CAAC;IACxC,uBAAuB,EAAE,CAAC,CAAC,UAAA,CAAC,YAAI,OAAA,CAAA,MAAA,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,QAAQ,0CAAE,EAAE,KAAI,2BAAgB,CAAC,WAAW,CAAA,EAAA,CAAC;IAC1G,yBAAyB,EAAE,CAAC,CAAC,UAAA,CAAC,YAAI,OAAA,CAAA,MAAA,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,QAAQ,0CAAE,QAAQ,KAAI,UAAU,CAAA,EAAA,CAAC;IAChG,kBAAkB,EAAE,CAAC,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,KAAK,EAAlC,CAAkC,CAAC;CACjE,CAAC;AAEF,IAAM,mBAAmB,GAAG;IACxB,QAAQ,UAAA;IACR,IAAI,MAAA;IACJ,OAAO,SAAA;IACP,KAAK,OAAA;IACL,MAAM,QAAA;IACN,IAAI,MAAA;IACJ,MAAM,QAAA;CACT,CAAC;AAGO,kDAAmB"}
|
|
@@ -476,7 +476,7 @@ var Structure = /** @class */ (function () {
|
|
|
476
476
|
return this.models.indexOf(m);
|
|
477
477
|
};
|
|
478
478
|
Structure.prototype.remapModel = function (m) {
|
|
479
|
-
var _a = this.state, dynamicBonds = _a.dynamicBonds, interUnitBonds = _a.interUnitBonds;
|
|
479
|
+
var _a = this.state, dynamicBonds = _a.dynamicBonds, interUnitBonds = _a.interUnitBonds, parent = _a.parent;
|
|
480
480
|
var units = [];
|
|
481
481
|
for (var _b = 0, _c = this.unitSymmetryGroups; _b < _c.length; _b++) {
|
|
482
482
|
var ug = _c[_b];
|
|
@@ -488,6 +488,7 @@ var Structure = /** @class */ (function () {
|
|
|
488
488
|
}
|
|
489
489
|
}
|
|
490
490
|
return Structure.create(units, {
|
|
491
|
+
parent: parent === null || parent === void 0 ? void 0 : parent.remapModel(m),
|
|
491
492
|
label: this.label,
|
|
492
493
|
interUnitBonds: dynamicBonds ? undefined : interUnitBonds,
|
|
493
494
|
dynamicBonds: dynamicBonds
|
|
@@ -1227,7 +1228,7 @@ function getSerialMapping(structure) {
|
|
|
1227
1228
|
}
|
|
1228
1229
|
Structure.distance = distance;
|
|
1229
1230
|
function elementDescription(s) {
|
|
1230
|
-
return s.elementCount === 1 ? '1 element' : s.elementCount
|
|
1231
|
+
return s.elementCount === 1 ? '1 element' : "".concat(s.elementCount, " elements");
|
|
1231
1232
|
}
|
|
1232
1233
|
Structure.elementDescription = elementDescription;
|
|
1233
1234
|
function validUnitPair(s, a, b) {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -31,7 +31,7 @@ var StructureSymmetry;
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31
31
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throw new Error('Can only build assemblies from structures based on 1 model.');
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32
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assembly = model_1.Symmetry.findAssembly(models[0], asmName);
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33
|
if (!assembly)
|
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34
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-
throw new Error("Assembly '"
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34
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+
throw new Error("Assembly '".concat(asmName, "' is not defined."));
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35
35
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coordinateSystem = geometry_1.SymmetryOperator.create(assembly.id, linear_algebra_1.Mat4.identity(), { assembly: { id: assembly.id, operId: 0, operList: [] } });
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36
36
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assembler = structure_1.Structure.Builder({
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37
37
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coordinateSystem: coordinateSystem,
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@@ -167,7 +167,7 @@ function getOperatorsForIndex(symmetry, index, i, j, k, modelCenter) {
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167
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for (var u = 0, ul = ncsOperators.length; u < ul; ++u) {
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168
168
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var ncsOp = ncsOperators[u];
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169
169
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var matrix = linear_algebra_1.Mat4.mul((0, linear_algebra_1.Mat4)(), symOp.matrix, ncsOp.matrix);
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170
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-
var operator = geometry_1.SymmetryOperator.create(symOp.name
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+
var operator = geometry_1.SymmetryOperator.create("".concat(symOp.name, " ").concat(ncsOp.name), matrix, {
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assembly: symOp.assembly,
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172
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ncsId: ncsOp.ncsId,
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173
173
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hkl: symOp.hkl,
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@@ -271,7 +271,7 @@ function findSymmetryRange(ctx, structure, ijkMin, ijkMax) {
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271
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function findMatesRadius(ctx, structure, radius) {
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272
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return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
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function hash(unit, oper) {
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274
|
-
return unit.invariantId
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274
|
+
return "".concat(unit.invariantId, "|").concat(oper.name);
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275
275
|
}
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|
276
276
|
var models, symmetry, spacegroup, modelCenter, operators, lookup, added, assembler, units, center, _i, operators_3, oper, _a, units_4, unit, boundingSphere, closeUnits, uI, _uI, closeUnit, h;
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return (0, tslib_1.__generator)(this, function (_b) {
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@@ -1 +1 @@
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1
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-
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1
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@@ -113,7 +113,7 @@ function buildIndex(structure, index, sI) {
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|
|
113
113
|
var rI = residueOffset[eI];
|
|
114
114
|
if (!dbName[rI])
|
|
115
115
|
continue;
|
|
116
|
-
var key = dbName[rI]
|
|
116
|
+
var key = "".concat(dbName[rI], "-").concat(accession[rI], "-").concat(num[rI]);
|
|
117
117
|
if (!index.has(key)) {
|
|
118
118
|
index.set(key, { key: key, pivots: (_a = {}, _a[sI] = [unit, eI, elements[residueSegment.end]], _a) });
|
|
119
119
|
}
|