molstar 2.3.3 → 2.3.8
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +20 -20
- package/README.md +176 -176
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +94 -88
- package/build/viewer/molstar.css +1 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.d.ts +296 -5
- package/lib/apps/viewer/index.html +94 -88
- package/lib/apps/viewer/index.js +99 -9
- package/lib/apps/viewer/index.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/cli/chem-comp-dict/util.d.ts +4 -4
- package/lib/cli/chem-comp-dict/util.js +2 -2
- package/lib/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/cli/cif2bcif/converter.js +2 -2
- package/lib/cli/cif2bcif/converter.js.map +1 -1
- package/lib/cli/cifschema/index.js +12 -12
- package/lib/cli/cifschema/index.js.map +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/cli/cifschema/util/generate.js +21 -21
- package/lib/cli/cifschema/util/generate.js.map +1 -1
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/cli/cifschema/util/schema.js.map +1 -1
- package/lib/cli/lipid-params/index.js +3 -3
- package/lib/cli/lipid-params/index.js.map +1 -1
- package/lib/cli/state-docs/index.js +4 -4
- package/lib/cli/state-docs/index.js.map +1 -1
- package/lib/cli/state-docs/pd-to-md.js +10 -10
- package/lib/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/cli/structure-info/model.js +18 -18
- package/lib/cli/structure-info/model.js.map +1 -1
- package/lib/cli/structure-info/volume.js +1 -1
- package/lib/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/commonjs/apps/viewer/index.d.ts +296 -5
- package/lib/commonjs/apps/viewer/index.js +99 -9
- package/lib/commonjs/apps/viewer/index.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +6 -6
- package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
- package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/index.js +0 -0
- package/lib/commonjs/cli/cifschema/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
- package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +3 -3
- package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/index.js +4 -4
- package/lib/commonjs/cli/state-docs/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
- package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/commonjs/cli/structure-info/model.js +18 -18
- package/lib/commonjs/cli/structure-info/model.js.map +1 -1
- package/lib/commonjs/cli/structure-info/volume.js +1 -1
- package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
- package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/examples/task.js.map +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
- package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
- package/lib/commonjs/extensions/cellpack/curve.js +2 -2
- package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
- package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
- package/lib/commonjs/extensions/cellpack/model.js +203 -65
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
- package/lib/commonjs/extensions/cellpack/preset.js +12 -15
- package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/property.js +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
- package/lib/commonjs/extensions/cellpack/representation.js +47 -0
- package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
- package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
- package/lib/commonjs/extensions/cellpack/state.js +234 -27
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
- package/lib/commonjs/extensions/cellpack/util.js +34 -6
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +6 -6
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
- package/lib/commonjs/extensions/g3d/data.js +2 -2
- package/lib/commonjs/extensions/g3d/data.js.map +1 -1
- package/lib/commonjs/extensions/g3d/model.js +2 -2
- package/lib/commonjs/extensions/g3d/model.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/controls.js +2 -2
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
- package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.d.ts +3 -3
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +25 -10
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +4 -4
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/camera/util.d.ts +4 -3
- package/lib/commonjs/mol-canvas3d/camera/util.js +15 -16
- package/lib/commonjs/mol-canvas3d/camera/util.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/camera.d.ts +11 -3
- package/lib/commonjs/mol-canvas3d/camera.js +21 -1
- package/lib/commonjs/mol-canvas3d/camera.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +18 -8
- package/lib/commonjs/mol-canvas3d/canvas3d.js +11 -5
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +3 -3
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.d.ts +13 -4
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +43 -9
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +1 -0
- package/lib/commonjs/mol-canvas3d/passes/draw.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/pick.d.ts +5 -2
- package/lib/commonjs/mol-canvas3d/passes/pick.js +17 -3
- package/lib/commonjs/mol-canvas3d/passes/pick.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db/table.js.map +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
- package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
- package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
- package/lib/commonjs/mol-data/int/tuple.js +1 -1
- package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +10 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
- package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
- package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +6 -44
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
- package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +3 -2
- package/lib/commonjs/mol-gl/renderer.js +3 -0
- package/lib/commonjs/mol-gl/renderer.js.map +1 -1
- package/lib/commonjs/mol-gl/scene.js +1 -1
- package/lib/commonjs/mol-gl/scene.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +8 -8
- package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
- package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
- package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +6 -4
- package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +14 -12
- package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js +6 -3
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
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structure: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
79
|
+
} | {
|
|
83
80
|
kind: "empty-loci";
|
|
84
|
-
} |
|
|
81
|
+
} | DataLoci<unknown, unknown>;
|
|
82
|
+
structure: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci | Shape.Loci | {
|
|
85
83
|
kind: "every-loci";
|
|
86
|
-
} |
|
|
87
|
-
elementInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
84
|
+
} | {
|
|
88
85
|
kind: "empty-loci";
|
|
89
|
-
} |
|
|
86
|
+
} | DataLoci<unknown, unknown>;
|
|
87
|
+
elementInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci | Shape.Loci | ShapeGroup.Loci | {
|
|
90
88
|
kind: "every-loci";
|
|
91
|
-
} |
|
|
92
|
-
residueInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
89
|
+
} | {
|
|
93
90
|
kind: "empty-loci";
|
|
94
|
-
} |
|
|
91
|
+
} | DataLoci<unknown, unknown>;
|
|
92
|
+
residueInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci | Shape.Loci | ShapeGroup.Loci | {
|
|
95
93
|
kind: "every-loci";
|
|
96
|
-
} |
|
|
97
|
-
chainInstances: (loci: Loci) => Volume.Isosurface.Loci | Volume.Loci | Volume.Cell.Loci | {
|
|
94
|
+
} | {
|
|
98
95
|
kind: "empty-loci";
|
|
99
|
-
} |
|
|
96
|
+
} | DataLoci<unknown, unknown>;
|
|
97
|
+
chainInstances: (loci: Loci) => StructureElement.Loci | Structure.Loci | Bond.Loci | Volume.Loci | Volume.Isosurface.Loci | Volume.Cell.Loci | Shape.Loci | ShapeGroup.Loci | {
|
|
100
98
|
kind: "every-loci";
|
|
101
|
-
} |
|
|
99
|
+
} | {
|
|
100
|
+
kind: "empty-loci";
|
|
101
|
+
} | DataLoci<unknown, unknown>;
|
|
102
102
|
};
|
|
103
103
|
export type Granularity = keyof typeof Granularity;
|
|
104
|
-
export const GranularityOptions: ["
|
|
104
|
+
export const GranularityOptions: ["element" | "operator" | "residue" | "entity" | "model" | "structure" | "chain" | "elementInstances" | "residueInstances" | "chainInstances", string][];
|
|
105
105
|
/** Exclude `Instances` granularity kinds */
|
|
106
|
-
export function simpleGranularity(granularity: Granularity): "
|
|
106
|
+
export function simpleGranularity(granularity: Granularity): "element" | "operator" | "residue" | "entity" | "model" | "structure" | "chain" | "elementInstances" | "residueInstances" | "chainInstances";
|
|
107
107
|
export function applyGranularity(loci: Loci, granularity: Granularity): Loci;
|
|
108
108
|
/**
|
|
109
109
|
* Converts structure related loci to StructureElement.Loci and applies
|
|
110
110
|
* granularity if given
|
|
111
111
|
*/
|
|
112
|
-
export function normalize(loci: Loci, granularity?: Granularity): Loci;
|
|
112
|
+
export function normalize(loci: Loci, granularity?: Granularity, alwaysConvertBonds?: boolean): Loci;
|
|
113
113
|
export {};
|
|
114
114
|
}
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -305,8 +305,9 @@ var Loci;
|
|
|
305
305
|
* Converts structure related loci to StructureElement.Loci and applies
|
|
306
306
|
* granularity if given
|
|
307
307
|
*/
|
|
308
|
-
function normalize(loci, granularity) {
|
|
309
|
-
if (
|
|
308
|
+
function normalize(loci, granularity, alwaysConvertBonds) {
|
|
309
|
+
if (alwaysConvertBonds === void 0) { alwaysConvertBonds = false; }
|
|
310
|
+
if ((granularity !== 'element' || alwaysConvertBonds) && bonds_1.Bond.isLoci(loci)) {
|
|
310
311
|
// convert Bond.Loci to a StructureElement.Loci so granularity can be applied
|
|
311
312
|
loci = bonds_1.Bond.toStructureElementLoci(loci);
|
|
312
313
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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|
|
@@ -43,7 +43,7 @@ var Sequence;
|
|
|
43
43
|
case "generic" /* Generic */:
|
|
44
44
|
code = function () { return 'X'; };
|
|
45
45
|
break;
|
|
46
|
-
default: throw new Error("unknown kind '"
|
|
46
|
+
default: throw new Error("unknown kind '".concat(kind, "'"));
|
|
47
47
|
}
|
|
48
48
|
if (map && map.size > 0) {
|
|
49
49
|
return function (name) {
|
|
@@ -101,7 +101,7 @@ var Sequence;
|
|
|
101
101
|
var c = codeFromName(id);
|
|
102
102
|
return c === 'X' ? id : c;
|
|
103
103
|
});
|
|
104
|
-
labels[i] = "("
|
|
104
|
+
labels[i] = "(".concat(l.join('|'), ")");
|
|
105
105
|
}
|
|
106
106
|
else {
|
|
107
107
|
labels[i] = codes[i] === 'X' ? compIds[i] : codes[i];
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"sequence.js","sourceRoot":"","sources":["../../../../src/mol-model/sequence/sequence.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAEH,yCAAiI;AACjI,wCAA2C;AAM3C,IAAU,QAAQ,CAsLjB;AAtLD,WAAU,QAAQ;IAgCd,SAAgB,iBAAiB,CAAC,GAAa;QAC3C,IAAM,KAAK,GAAG,GAAG,CAAC,IAAI,CAAC,OAAO,EAAE,CAAC;QACjC,OAAO,CAAC,KAAK,YAAY,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACzE,CAAC;IAHe,0BAAiB,oBAGhC,CAAA;IAED,SAAS,aAAa,CAAC,KAAqB;QACxC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,QAAQ,EAAE,EAAE,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;YAC5D,IAAM,MAAI,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;YAClC,IAAI,IAAA,mCAAuB,EAAC,MAAI,CAAC,KAAK,GAAG;gBAAE,+BAAoB;YAC/D,IAAI,IAAA,+BAAmB,EAAC,MAAI,CAAC,KAAK,GAAG;gBAAE,uBAAgB;YACvD,IAAI,IAAA,+BAAmB,EAAC,MAAI,CAAC,KAAK,GAAG;gBAAE,uBAAgB;SAC1D;QACD,+BAAoB;IACxB,CAAC;IAED,SAAS,YAAY,CAAC,IAAU,EAAE,GAAiC;QAC/D,IAAI,IAA8B,CAAC;QACnC,QAAQ,IAAI,EAAE;YACV;gBAAmB,IAAI,GAAG,mCAAuB,CAAC;gBAAC,MAAM;YACzD;gBAAe,IAAI,GAAG,+BAAmB,CAAC;gBAAC,MAAM;YACjD;gBAAe,IAAI,GAAG,+BAAmB,CAAC;gBAAC,MAAM;YACjD;gBAAmB,IAAI,GAAG,cAAM,OAAA,GAAG,EAAH,CAAG,CAAC;gBAAC,MAAM;YAC3C,OAAO,CAAC,CAAC,MAAM,IAAI,KAAK,CAAC,
|
|
1
|
+
{"version":3,"file":"sequence.js","sourceRoot":"","sources":["../../../../src/mol-model/sequence/sequence.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAEH,yCAAiI;AACjI,wCAA2C;AAM3C,IAAU,QAAQ,CAsLjB;AAtLD,WAAU,QAAQ;IAgCd,SAAgB,iBAAiB,CAAC,GAAa;QAC3C,IAAM,KAAK,GAAG,GAAG,CAAC,IAAI,CAAC,OAAO,EAAE,CAAC;QACjC,OAAO,CAAC,KAAK,YAAY,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACzE,CAAC;IAHe,0BAAiB,oBAGhC,CAAA;IAED,SAAS,aAAa,CAAC,KAAqB;QACxC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,QAAQ,EAAE,EAAE,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;YAC5D,IAAM,MAAI,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;YAClC,IAAI,IAAA,mCAAuB,EAAC,MAAI,CAAC,KAAK,GAAG;gBAAE,+BAAoB;YAC/D,IAAI,IAAA,+BAAmB,EAAC,MAAI,CAAC,KAAK,GAAG;gBAAE,uBAAgB;YACvD,IAAI,IAAA,+BAAmB,EAAC,MAAI,CAAC,KAAK,GAAG;gBAAE,uBAAgB;SAC1D;QACD,+BAAoB;IACxB,CAAC;IAED,SAAS,YAAY,CAAC,IAAU,EAAE,GAAiC;QAC/D,IAAI,IAA8B,CAAC;QACnC,QAAQ,IAAI,EAAE;YACV;gBAAmB,IAAI,GAAG,mCAAuB,CAAC;gBAAC,MAAM;YACzD;gBAAe,IAAI,GAAG,+BAAmB,CAAC;gBAAC,MAAM;YACjD;gBAAe,IAAI,GAAG,+BAAmB,CAAC;gBAAC,MAAM;YACjD;gBAAmB,IAAI,GAAG,cAAM,OAAA,GAAG,EAAH,CAAG,CAAC;gBAAC,MAAM;YAC3C,OAAO,CAAC,CAAC,MAAM,IAAI,KAAK,CAAC,wBAAiB,IAAI,MAAG,CAAC,CAAC;SACtD;QACD,IAAI,GAAG,IAAI,GAAG,CAAC,IAAI,GAAG,CAAC,EAAE;YACrB,OAAO,UAAC,IAAY;gBAChB,IAAM,GAAG,GAAG,IAAI,CAAC,IAAI,CAAC,CAAC;gBACvB,IAAI,GAAG,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC;oBAAE,OAAO,GAAG,CAAC;gBAC9C,OAAO,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,IAAI,CAAE,CAAC,CAAC;YAChC,CAAC,CAAC;SACL;QACD,OAAO,IAAI,CAAC;IAChB,CAAC;IAED,SAAgB,cAAc,CAAC,MAAsB,EAAE,KAAqB;QACxE,IAAI,KAAK,CAAC,QAAQ,KAAK,CAAC;YAAE,MAAM,IAAI,KAAK,CAAC,iBAAiB,CAAC,CAAC;QAE7D,IAAM,IAAI,GAAG,aAAa,CAAC,MAAM,CAAC,CAAC;QACnC,OAAO,IAAI,gBAAgB,CAAC,IAAI,EAAE,MAAM,EAAE,KAAK,CAAa,CAAC;IACjE,CAAC;IALe,uBAAc,iBAK7B,CAAA;IAED;QAaI,0BAAmB,IAAO,EAAE,MAAsB,EAAE,KAAqB;YAAtD,SAAI,GAAJ,IAAI,CAAG;YAPnB,aAAQ,GAAkC,IAAI,GAAG,EAAE,CAAA;YAQtD,IAAM,YAAY,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC;YACxC,IAAM,KAAK,GAAa,EAAE,CAAC;YAC3B,IAAM,OAAO,GAAa,EAAE,CAAC;YAC7B,IAAM,MAAM,GAAa,EAAE,CAAC;YAC5B,IAAM,QAAQ,GAAG,IAAI,GAAG,EAAoB,CAAC;YAE7C,IAAI,GAAG,GAAG,CAAC,CAAC;YACZ,IAAM,QAAQ,GAAG,IAAI,GAAG,EAAkB,CAAC;YAC3C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAC9C,IAAM,MAAM,GAAG,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBAE9B,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,MAAM,CAAC,EAAE;oBACvB,QAAQ,CAAC,GAAG,CAAC,MAAM,EAAE,GAAG,CAAC,CAAC;oBAC1B,IAAM,OAAO,GAAG,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;oBAChC,OAAO,CAAC,GAAG,CAAC,GAAG,OAAO,CAAC;oBACvB,MAAM,CAAC,GAAG,CAAC,GAAG,MAAM,CAAC;oBACrB,KAAK,CAAC,GAAG,CAAC,GAAG,YAAY,CAAC,OAAO,CAAC,CAAC;oBACnC,GAAG,IAAI,CAAC,CAAC;iBACZ;qBAAM;oBACH,sBAAsB;oBACtB,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,MAAM,CAAC,EAAE;wBACvB,QAAQ,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,OAAO,CAAC,QAAQ,CAAC,GAAG,CAAC,MAAM,CAAE,CAAC,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;qBAC3E;yBAAM;wBACH,QAAQ,CAAC,GAAG,CAAC,MAAM,CAAE,CAAC,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;qBAC/C;iBACJ;aACJ;YAED,IAAM,MAAM,GAAa,EAAE,CAAC;YAC5B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,GAAG,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBACnC,IAAM,EAAE,GAAG,QAAQ,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;gBACnC,IAAI,EAAE,EAAE;oBACJ,IAAM,CAAC,GAAG,EAAE,CAAC,GAAG,CAAC,UAAA,EAAE;wBACf,IAAM,CAAC,GAAG,YAAY,CAAC,EAAE,CAAC,CAAC;wBAC3B,OAAO,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;oBAC9B,CAAC,CAAC,CAAC;oBACH,MAAM,CAAC,CAAC,CAAC,GAAG,WAAI,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,MAAG,CAAC;iBAClC;qBAAM;oBACH,MAAM,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;iBACxD;aACJ;YAED,IAAI,CAAC,MAAM,GAAG,GAAG,CAAC;YAClB,IAAI,CAAC,IAAI,GAAG,WAAM,CAAC,aAAa,CAAC,KAAK,CAAqB,CAAC;YAC5D,IAAI,CAAC,MAAM,GAAG,WAAM,CAAC,aAAa,CAAC,OAAO,CAAC,CAAC;YAC5C,IAAI,CAAC,KAAK,GAAG,WAAM,CAAC,UAAU,CAAC,MAAM,CAAC,CAAC;YACvC,IAAI,CAAC,KAAK,GAAG,WAAM,CAAC,aAAa,CAAC,MAAM,CAAC,CAAC;YAC1C,IAAI,CAAC,QAAQ,GAAG,QAAQ,CAAC;YACzB,IAAI,CAAC,QAAQ,GAAG,QAAQ,CAAC;QAC7B,CAAC;QAtDD,gCAAK,GAAL,UAAM,KAAa;YACf,OAAO,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,KAAK,CAAE,CAAC;QACrC,CAAC;QAqDL,uBAAC;IAAD,CAAC,AAhED,IAgEC;IAED,SAAgB,gBAAgB,CAAC,UAA0B,EAAE,QAAwB;QACjF,IAAM,IAAI,0BAAe,CAAC;QAE1B,OAAO,IAAI,kBAAkB,CAAC,IAAI,EAAE,UAAU,EAAE,QAAQ,CAAa,CAAC;IAC1E,CAAC;IAJe,yBAAgB,mBAI/B,CAAA;IAED;QAaI,4BAAmB,IAAO,EAAU,UAA0B,EAAU,QAAwB;YAA7E,SAAI,GAAJ,IAAI,CAAG;YAAU,eAAU,GAAV,UAAU,CAAgB;YAAU,aAAQ,GAAR,QAAQ,CAAgB;YAPzF,aAAQ,GAAkC,IAAI,GAAG,EAAE,CAAA;YAQtD,IAAI,QAAQ,GAAG,CAAC,EAAE,QAAQ,GAAG,MAAM,CAAC,gBAAgB,CAAC;YACrD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,IAAI,CAAC,UAAU,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;gBACxD,IAAM,OAAO,GAAG,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBACzC,IAAM,KAAK,GAAG,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;gBACrC,IAAI,OAAO,GAAG,QAAQ;oBAAE,QAAQ,GAAG,OAAO,CAAC;gBAC3C,IAAI,QAAQ,GAAG,KAAK;oBAAE,QAAQ,GAAG,KAAK,CAAC;aAC1C;YAED,IAAM,KAAK,GAAG,QAAQ,GAAG,QAAQ,GAAG,CAAC,CAAC;YAEtC,IAAI,CAAC,IAAI,GAAG,WAAM,CAAC,OAAO,CAAC,GAAG,EAAE,KAAK,EAAE,WAAM,CAAC,MAAM,CAAC,GAAG,CAAqB,CAAC;YAC9E,IAAI,CAAC,KAAK,GAAG,WAAM,CAAC,OAAO,CAAC,EAAE,EAAE,KAAK,EAAE,WAAM,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;YAC1D,IAAI,CAAC,KAAK,GAAG,WAAM,CAAC,QAAQ,CAAC;gBACzB,KAAK,EAAE,UAAA,GAAG,IAAI,OAAA,GAAG,GAAG,QAAQ,GAAG,CAAC,EAAlB,CAAkB;gBAChC,QAAQ,EAAE,KAAK;gBACf,MAAM,EAAE,WAAM,CAAC,MAAM,CAAC,GAAG;aAC5B,CAAC,CAAC;YACH,IAAI,CAAC,MAAM,GAAG,WAAM,CAAC,OAAO,CAAC,EAAE,EAAE,KAAK,EAAE,WAAM,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC;YAE3D,IAAI,CAAC,MAAM,GAAG,KAAK,CAAC;YACpB,IAAI,CAAC,QAAQ,GAAG,QAAQ,CAAC;QAC7B,CAAC;QA1BD,kCAAK,GAAL,UAAM,KAAa;YACf,OAAO,KAAK,GAAG,IAAI,CAAC,QAAQ,CAAC;QACjC,CAAC;QAyBL,yBAAC;IAAD,CAAC,AApCD,IAoCC;AACL,CAAC,EAtLS,QAAQ,KAAR,QAAQ,QAsLjB;AAEQ,4BAAQ"}
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@@ -38,7 +38,7 @@ export declare namespace Shape {
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function getTheme(shape: Shape): Theme;
|
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39
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function groupIterator(shape: Shape): LocationIterator;
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|
function createTransform(transforms: Mat4[], transformData?: TransformData): TransformData;
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-
function createRenderObject<G extends Geometry>(shape: Shape<G>, props: PD.Values<Geometry.Params<G>>): import("../../mol-gl/render-object").GraphicsRenderObject<"
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+
function createRenderObject<G extends Geometry>(shape: Shape<G>, props: PD.Values<Geometry.Params<G>>): import("../../mol-gl/render-object").GraphicsRenderObject<"text" | "image" | "points" | "spheres" | "cylinders" | "lines" | "mesh" | "direct-volume" | "texture-mesh">;
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interface Loci {
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readonly kind: 'shape-loci';
|
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readonly shape: Shape;
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@@ -76,13 +76,13 @@ exports._atom_site = {
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};
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function prepostfixed(prefix, name) {
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if (prefix)
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-
return prefix
|
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+
return "".concat(prefix, "_").concat(name);
|
|
80
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|
return name;
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}
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|
function prefixedInsCode(prefix) {
|
|
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|
if (!prefix)
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return 'pdbx_PDB_ins_code';
|
|
85
|
-
return "pdbx_"
|
|
85
|
+
return "pdbx_".concat(prefix, "_PDB_ins_code");
|
|
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|
}
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|
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|
function mappedProp(loc, prop) {
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|
return function (k, d) { return prop(loc(k, d)); };
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"atom_site.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/export/categories/atom_site.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAEH,qDAA0D;AAC1D,6CAAwF;AAExF,IAAO,QAAQ,GAAG,eAAS,CAAC,KAAK,CAAA;AAEjC,IAAO,CAAC,GAAG,eAAS,CAAC,SAAS,CAAA;AAE9B,SAAS,uBAAuB,CAAC,CAA4B;IACzD,IAAM,CAAC,GAAG,+BAAC,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;IACnC,IAAM,MAAM,GAAG,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,CAAC;IACnD,IAAI,CAAC,MAAM;QAAE,OAAO,CAAC,CAAC;IACtB,OAAO,CAAC,GAAG,MAAM,CAAC;AACtB,CAAC;AAED,SAAS,sBAAsB,CAAC,CAA4B;IACxD,IAAM,CAAC,GAAG,+BAAC,CAAC,KAAK,CAAC,YAAY,CAAC,CAAC,CAAC,CAAC;IAClC,IAAM,MAAM,GAAG,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,CAAC;IACnD,IAAI,CAAC,MAAM;QAAE,OAAO,CAAC,CAAC;IACtB,OAAO,CAAC,GAAG,MAAM,CAAC;AACtB,CAAC;AAED,IAAM,gBAAgB,GAAG,cAAM,OAAA,eAAS,CAAC,MAAM,EAAwC;KAClF,GAAG,CAAC,WAAW,EAAE,+BAAC,CAAC,OAAO,CAAC,SAAS,CAAC;KACrC,KAAK,CAAC,IAAI,CAAC;KACX,GAAG,CAAC,aAAa,EAAE,+BAAC,CAAC,IAAI,CAAC,WAAkB,CAAC;KAC7C,GAAG,CAAC,eAAe,EAAE,+BAAC,CAAC,IAAI,CAAC,aAAa,CAAC;KAE1C,GAAG,CAAC,eAAe,EAAE,+BAAC,CAAC,IAAI,CAAC,aAAa,CAAC;KAC1C,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,OAAO,CAAC,YAAY,EAAE;IACzC,OAAO,EAAE,CAAC,CAAC,QAAQ;IACnB,SAAS,EAAE,UAAC,CAAC,EAAE,CAAC;QACZ,IAAM,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC;QACvB,OAAO,CAAC,CAAC,eAAe,CAAC,QAAQ,CAAC,YAAY,CAAC,SAAS,CAAC,CAAC,CAAC,eAAe,CAAC,mBAAmB,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC;IACrH,CAAC;CACJ,CAAC;KACD,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,IAAI,CAAC,YAAY,CAAC;KACxC,GAAG,CAAC,mBAAmB,EAAE,+BAAC,CAAC,OAAO,CAAC,iBAAiB,CAAC;KAErD,GAAG,CAAC,eAAe,EAAE,uBAAuB,CAAC;KAC7C,GAAG,CAAC,iBAAiB,EAAE,+BAAC,CAAC,KAAK,CAAC,eAAe,CAAC;KAE/C,KAAK,CAAC,SAAS,EAAE,+BAAC,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACrE,KAAK,CAAC,SAAS,EAAE,+BAAC,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACrE,KAAK,CAAC,SAAS,EAAE,+BAAC,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACrE,KAAK,CAAC,WAAW,EAAE,+BAAC,CAAC,IAAI,CAAC,SAAS,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KAC/E,KAAK,CAAC,gBAAgB,EAAE,+BAAC,CAAC,IAAI,CAAC,cAAc,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACzF,GAAG,CAAC,oBAAoB,EAAE,+BAAC,CAAC,IAAI,CAAC,kBAAkB,EAAE;IAClD,OAAO,EAAE,CAAC,CAAC,QAAQ;IACnB,SAAS,EAAE,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,kBAAkB,CAAC,SAAS,CAAC,CAAC,CAAC,OAAO,CAAC,EAA1E,CAA0E;CAClG,CAAC;KAED,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,IAAI,CAAC,YAAY,CAAC;KACxC,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,IAAI,CAAC,YAAY,CAAC;KACxC,GAAG,CAAC,aAAa,EAAE,+BAAC,CAAC,OAAO,CAAC,WAAW,EAAE,EAAE,OAAO,EAAE,CAAC,CAAC,QAAQ,EAAE,CAAC;KAClE,GAAG,CAAC,cAAc,EAAE,sBAAsB,CAAC;KAE3C,GAAG,CAAC,oBAAoB,EAAE,+BAAC,CAAC,IAAI,CAAC,SAAS,EAAE,EAAE,OAAO,EAAE,CAAC,CAAC,QAAQ,EAAE,CAAC;IACrE,gDAAgD;IAChD,iGAAiG;IACjG,KAAK;KACJ,SAAS,EAAE,EAvCe,CAuCf,CAAC;AAEJ,QAAA,UAAU,GAAkC;IACrD,IAAI,EAAE,WAAW;IACjB,QAAQ,EAAR,UAAS,EAAgC;YAA9B,UAAU,gBAAA;QACjB,OAAO;YACH,MAAM,EAAE,gBAAgB,EAAE;YAC1B,MAAM,EAAE,UAAU,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC;gBACzB,IAAI,EAAE,CAAC;gBACP,QAAQ,EAAE,CAAC,CAAC,YAAY;gBACxB,IAAI,EAAE,cAAM,OAAA,CAAC,CAAC,gBAAgB,EAAE,EAApB,CAAoB;aACnC,CAAC,EAJ0B,CAI1B,CAAC;SACN,CAAC;IACN,CAAC;CACJ,CAAC;AAEF,SAAS,YAAY,CAAC,MAA0B,EAAE,IAAY;IAC1D,IAAI,MAAM;QAAE,
|
|
1
|
+
{"version":3,"file":"atom_site.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/export/categories/atom_site.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAEH,qDAA0D;AAC1D,6CAAwF;AAExF,IAAO,QAAQ,GAAG,eAAS,CAAC,KAAK,CAAA;AAEjC,IAAO,CAAC,GAAG,eAAS,CAAC,SAAS,CAAA;AAE9B,SAAS,uBAAuB,CAAC,CAA4B;IACzD,IAAM,CAAC,GAAG,+BAAC,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC,CAAC;IACnC,IAAM,MAAM,GAAG,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,CAAC;IACnD,IAAI,CAAC,MAAM;QAAE,OAAO,CAAC,CAAC;IACtB,OAAO,CAAC,GAAG,MAAM,CAAC;AACtB,CAAC;AAED,SAAS,sBAAsB,CAAC,CAA4B;IACxD,IAAM,CAAC,GAAG,+BAAC,CAAC,KAAK,CAAC,YAAY,CAAC,CAAC,CAAC,CAAC;IAClC,IAAM,MAAM,GAAG,CAAC,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,MAAM,CAAC;IACnD,IAAI,CAAC,MAAM;QAAE,OAAO,CAAC,CAAC;IACtB,OAAO,CAAC,GAAG,MAAM,CAAC;AACtB,CAAC;AAED,IAAM,gBAAgB,GAAG,cAAM,OAAA,eAAS,CAAC,MAAM,EAAwC;KAClF,GAAG,CAAC,WAAW,EAAE,+BAAC,CAAC,OAAO,CAAC,SAAS,CAAC;KACrC,KAAK,CAAC,IAAI,CAAC;KACX,GAAG,CAAC,aAAa,EAAE,+BAAC,CAAC,IAAI,CAAC,WAAkB,CAAC;KAC7C,GAAG,CAAC,eAAe,EAAE,+BAAC,CAAC,IAAI,CAAC,aAAa,CAAC;KAE1C,GAAG,CAAC,eAAe,EAAE,+BAAC,CAAC,IAAI,CAAC,aAAa,CAAC;KAC1C,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,OAAO,CAAC,YAAY,EAAE;IACzC,OAAO,EAAE,CAAC,CAAC,QAAQ;IACnB,SAAS,EAAE,UAAC,CAAC,EAAE,CAAC;QACZ,IAAM,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC;QACvB,OAAO,CAAC,CAAC,eAAe,CAAC,QAAQ,CAAC,YAAY,CAAC,SAAS,CAAC,CAAC,CAAC,eAAe,CAAC,mBAAmB,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC;IACrH,CAAC;CACJ,CAAC;KACD,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,IAAI,CAAC,YAAY,CAAC;KACxC,GAAG,CAAC,mBAAmB,EAAE,+BAAC,CAAC,OAAO,CAAC,iBAAiB,CAAC;KAErD,GAAG,CAAC,eAAe,EAAE,uBAAuB,CAAC;KAC7C,GAAG,CAAC,iBAAiB,EAAE,+BAAC,CAAC,KAAK,CAAC,eAAe,CAAC;KAE/C,KAAK,CAAC,SAAS,EAAE,+BAAC,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACrE,KAAK,CAAC,SAAS,EAAE,+BAAC,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACrE,KAAK,CAAC,SAAS,EAAE,+BAAC,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACrE,KAAK,CAAC,WAAW,EAAE,+BAAC,CAAC,IAAI,CAAC,SAAS,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KAC/E,KAAK,CAAC,gBAAgB,EAAE,+BAAC,CAAC,IAAI,CAAC,cAAc,EAAE,EAAE,UAAU,EAAE,CAAC,EAAE,OAAO,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;KACzF,GAAG,CAAC,oBAAoB,EAAE,+BAAC,CAAC,IAAI,CAAC,kBAAkB,EAAE;IAClD,OAAO,EAAE,CAAC,CAAC,QAAQ;IACnB,SAAS,EAAE,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,KAAK,CAAC,kBAAkB,CAAC,SAAS,CAAC,CAAC,CAAC,OAAO,CAAC,EAA1E,CAA0E;CAClG,CAAC;KAED,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,IAAI,CAAC,YAAY,CAAC;KACxC,GAAG,CAAC,cAAc,EAAE,+BAAC,CAAC,IAAI,CAAC,YAAY,CAAC;KACxC,GAAG,CAAC,aAAa,EAAE,+BAAC,CAAC,OAAO,CAAC,WAAW,EAAE,EAAE,OAAO,EAAE,CAAC,CAAC,QAAQ,EAAE,CAAC;KAClE,GAAG,CAAC,cAAc,EAAE,sBAAsB,CAAC;KAE3C,GAAG,CAAC,oBAAoB,EAAE,+BAAC,CAAC,IAAI,CAAC,SAAS,EAAE,EAAE,OAAO,EAAE,CAAC,CAAC,QAAQ,EAAE,CAAC;IACrE,gDAAgD;IAChD,iGAAiG;IACjG,KAAK;KACJ,SAAS,EAAE,EAvCe,CAuCf,CAAC;AAEJ,QAAA,UAAU,GAAkC;IACrD,IAAI,EAAE,WAAW;IACjB,QAAQ,EAAR,UAAS,EAAgC;YAA9B,UAAU,gBAAA;QACjB,OAAO;YACH,MAAM,EAAE,gBAAgB,EAAE;YAC1B,MAAM,EAAE,UAAU,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC;gBACzB,IAAI,EAAE,CAAC;gBACP,QAAQ,EAAE,CAAC,CAAC,YAAY;gBACxB,IAAI,EAAE,cAAM,OAAA,CAAC,CAAC,gBAAgB,EAAE,EAApB,CAAoB;aACnC,CAAC,EAJ0B,CAI1B,CAAC;SACN,CAAC;IACN,CAAC;CACJ,CAAC;AAEF,SAAS,YAAY,CAAC,MAA0B,EAAE,IAAY;IAC1D,IAAI,MAAM;QAAE,OAAO,UAAG,MAAM,cAAI,IAAI,CAAE,CAAC;IACvC,OAAO,IAAI,CAAC;AAChB,CAAC;AAED,SAAS,eAAe,CAAC,MAA0B;IAC/C,IAAI,CAAC,MAAM;QAAE,OAAO,mBAAmB,CAAC;IACxC,OAAO,eAAQ,MAAM,kBAAe,CAAC;AACzC,CAAC;AAED,SAAS,UAAU,CAAO,GAAmD,EAAE,IAA2C;IACtH,OAAO,UAAC,CAAI,EAAE,CAAI,IAAK,OAAA,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,EAAf,CAAe,CAAC;AAC3C,CAAC;AAED,SAAS,WAAW,CAAO,MAAqC,EAAE,WAA2D,EAAE,OAAyB;IACpJ,IAAI,OAAO,IAAI,OAAO,CAAC,eAAe,EAAE;QACpC,MAAM,CAAC,GAAG,CAAC,oBAAoB,EAAE,UAAU,CAAC,WAAW,EAAE,+BAAC,CAAC,IAAI,CAAC,SAAS,CAAC,CAAC,CAAC;KAC/E;AACL,CAAC;AAOD,SAAgB,eAAe,CAAO,WAA2D,EAAE,OAAyB;IACxH,IAAM,MAAM,GAAG,OAAO,IAAI,OAAO,CAAC,MAAM,CAAC;IACzC,IAAM,GAAG,GAAG,eAAS,CAAC,MAAM,EAAQ;SAC/B,GAAG,CAAC,YAAY,CAAC,MAAM,EAAE,eAAe,CAAC,EAAE,UAAU,CAAC,WAAW,EAAE,+BAAC,CAAC,IAAI,CAAC,aAAa,CAAC,CAAC;SACzF,GAAG,CAAC,YAAY,CAAC,MAAM,EAAE,cAAc,CAAC,EAAE,UAAU,CAAC,WAAW,EAAE,+BAAC,CAAC,OAAO,CAAC,YAAY,CAAC,EAAE;QACxF,OAAO,EAAE,CAAC,CAAC,QAAQ;QACnB,SAAS,EAAE,UAAC,CAAC,EAAE,CAAC;YACZ,IAAM,CAAC,GAAG,WAAW,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;YAC5B,IAAM,CAAC,GAAG,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC;YACvB,OAAO,CAAC,CAAC,eAAe,CAAC,QAAQ,CAAC,YAAY,CAAC,SAAS,CAAC,CAAC,CAAC,eAAe,CAAC,mBAAmB,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC;QACrH,CAAC;KACJ,CAAC;SACD,GAAG,CAAC,eAAe,CAAC,MAAM,CAAC,EAAE,UAAU,CAAC,WAAW,EAAE,+BAAC,CAAC,OAAO,CAAC,iBAAiB,CAAC,CAAC;SAElF,GAAG,CAAC,YAAY,CAAC,MAAM,EAAE,eAAe,CAAC,EAAE,UAAU,CAAC,WAAW,EAAE,+BAAC,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC;SAC1F,GAAG,CAAC,YAAY,CAAC,MAAM,EAAE,iBAAiB,CAAC,EAAE,UAAU,CAAC,WAAW,EAAE,+BAAC,CAAC,KAAK,CAAC,eAAe,CAAC,CAAC;SAE9F,GAAG,CAAC,YAAY,CAAC,MAAM,EAAE,cAAc,CAAC,EAAE,UAAU,CAAC,WAAW,EAAE,+BAAC,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC;SACvF,GAAG,CAAC,YAAY,CAAC,MAAM,EAAE,aAAa,CAAC,EAAE,UAAU,CAAC,WAAW,EAAE,+B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|
|
@@ -75,7 +75,7 @@ function getEntries(ctx) {
|
|
|
75
75
|
var chainSegment = chainsIt.move();
|
|
76
76
|
l.element = elements[chainSegment.start];
|
|
77
77
|
var label_asym_id = structure_1.StructureProperties.chain.label_asym_id(l);
|
|
78
|
-
var key = ""
|
|
78
|
+
var key = "".concat(label_asym_id).concat(operator.suffix);
|
|
79
79
|
if (existing.has(key))
|
|
80
80
|
continue;
|
|
81
81
|
existing.add(key);
|
package/lib/commonjs/mol-model/structure/export/categories/atom_site_operator_mapping.js.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -40,7 +40,7 @@ function compare_ssr(x, y) {
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40
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;
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var struct_conf_fields = function () { return (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([
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42
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CifField.str('conf_type_id', function (i, data) { return data[i].element.type_id; }),
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43
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-
CifField.str('id', function (i, data, idx) { return ""
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+
CifField.str('id', function (i, data, idx) { return "".concat(data[i].element.type_id).concat(idx + 1); })
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], (0, atom_site_1.residueIdFields)(function (i, e) { return e[i].start; }, { prefix: 'beg' }), true), (0, atom_site_1.residueIdFields)(function (i, e) { return e[i].end; }, { prefix: 'end' }), true), [
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CifField.str('pdbx_PDB_helix_class', function (i, data) { return data[i].element.helix_class; }),
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46
46
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CifField.str('details', function (i, data) { return data[i].element.details || ''; }, {
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@@ -1 +1 @@
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1
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-
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|
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1
|
+
{"version":3,"file":"secondary-structure.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/export/categories/secondary-structure.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,gDAAwD;AACxD,qDAA0D;AAE1D,6CAAyD;AAEzD,IAAO,QAAQ,GAAG,eAAS,CAAC,KAAK,CAAA;AAGjC,yCAA8C;AAC9C,4GAA+G;AAElG,QAAA,YAAY,GAAkC;IACvD,IAAI,EAAE,aAAa;IACnB,QAAQ,YAAC,GAAG;QACR,IAAM,QAAQ,GAAG,YAAY,CAAC,GAAG,EAAE,OAAO,CAAC,CAAC;QAC5C,OAAO;YACH,MAAM,EAAE,kBAAkB,EAAE;YAC5B,MAAM,EAAE,CAAC,EAAE,IAAI,EAAE,QAAQ,EAAE,QAAQ,EAAE,QAAQ,CAAC,MAAM,EAAE,CAAC;SAC1D,CAAC;IACN,CAAC;CACJ,CAAC;AAEW,QAAA,mBAAmB,GAAkC;IAC9D,IAAI,EAAE,oBAAoB;IAC1B,QAAQ,EAAR,UAAS,GAAG;QACR,IAAM,QAAQ,GAAI,YAAY,CAAC,GAAG,EAAE,OAAO,CAA2C,CAAC,IAAI,CAAC,WAAW,CAAC,CAAC;QACzG,OAAO;YACH,MAAM,EAAE,yBAAyB,EAAE;YACnC,MAAM,EAAE,CAAC,EAAE,IAAI,EAAE,QAAQ,EAAE,QAAQ,EAAE,QAAQ,CAAC,MAAM,EAAE,CAAC;SAC1D,CAAC;IACN,CAAC;CACJ,CAAC;AAEF,SAAS,WAAW,CAAC,CAAsC,EAAE,CAAsC;IAC/F,IAAM,CAAC,GAAG,CAAC,CAAC,OAAO,EAAE,CAAC,GAAG,CAAC,CAAC,OAAO,CAAC;IACnC,OAAO,CAAC,CAAC,QAAQ,GAAG,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,QAAQ,KAAK,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,OAAO,GAAG,CAAC,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC;AAC5G,CAAC;AAAA,CAAC;AAEF,IAAM,kBAAkB,GAAG,cAAkB;IACzC,QAAQ,CAAC,GAAG,CAAgD,cAAc,EAAE,UAAC,CAAC,EAAE,IAAI,IAAK,OAAA,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,EAAvB,CAAuB,CAAC;IACjH,QAAQ,CAAC,GAAG,CAAgD,IAAI,EAAE,UAAC,CAAC,EAAE,IAAI,EAAE,GAAG,IAAK,OAAA,UAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,SAAG,GAAG,GAAG,CAAC,CAAE,EAAtC,CAAsC,CAAC;GACxH,IAAA,2BAAe,EAAgD,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,EAAV,CAAU,EAAE,EAAE,MAAM,EAAE,KAAK,EAAE,CAAC,SACvG,IAAA,2BAAe,EAAgD,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,EAAR,CAAQ,EAAE,EAAE,MAAM,EAAE,KAAK,EAAE,CAAC;IACxG,QAAQ,CAAC,GAAG,CAAgD,sBAAsB,EAAE,UAAC,CAAC,EAAE,IAAI,IAAK,OAAA,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,WAAW,EAA3B,CAA2B,CAAC;IAC7H,QAAQ,CAAC,GAAG,CAAgD,SAAS,EAAE,UAAC,CAAC,EAAE,IAAI,IAAK,OAAA,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,IAAI,EAAE,EAA7B,CAA6B,EAAE;QAC/G,SAAS,EAAE,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC,iBAA0B,CAAC,gBAAyB,EAA5E,CAA4E;KACpG,CAAC;IACF,QAAQ,CAAC,GAAG,CAAgD,uBAAuB,EAAE,UAAC,CAAC,EAAE,IAAI,IAAK,OAAA,IAAI,CAAC,CAAC,CAAC,CAAC,MAAM,EAAd,CAAc,CAAC;WATxE,CAU5C,CAAC;AAEF,IAAM,yBAAyB,GAAG,cAAkB;IAChD,QAAQ,CAAC,GAAG,CAAgD,UAAU,EAAE,UAAC,CAAC,EAAE,IAAI,IAAK,OAAA,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,QAAQ,EAAxB,CAAwB,CAAC;IAC9G,QAAQ,CAAC,KAAK,CAAC,IAAI,CAAC;GACjB,IAAA,2BAAe,EAAgD,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,EAAV,CAAU,EAAE,EAAE,MAAM,EAAE,KAAK,EAAE,CAAC,SACvG,IAAA,2BAAe,EAAgD,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,EAAR,CAAQ,EAAE,EAAE,MAAM,EAAE,KAAK,EAAE,CAAC;IACxG,QAAQ,CAAC,GAAG,CAAC,UAAU,EAAE,UAAC,CAAC,EAAE,IAAI,IAAK,OAAA,EAAE,EAAF,CAAE,EAAE,EAAE,SAAS,EAAE,UAAC,CAAC,EAAE,CAAC,IAAK,wBAAA,CAAwB,EAAE,CAAC;WAL5C,CAMnD,CAAC;AASF,SAAS,YAAY,CAAuC,GAAqB,EAAE,IAAwC;IACvH,yDAAyD;IACzD,IAAM,kBAAkB,GAAG,6CAAuB,CAAC,QAAQ,CAAC,GAAG,CAAC,GAAG,CAAC,UAAU,CAAC,CAAC;IAChF,IAAI,CAAC,kBAAkB;QAAE,OAAO,EAAoB,CAAC;IAE7C,IAAA,GAAG,GAAe,kBAAkB,IAAjC,EAAE,QAAQ,GAAK,kBAAkB,SAAvB,CAAwB;IAC7C,IAAM,UAAU,GAAqB,EAAE,CAAC;IAExC,IAAM,SAAS,GAAG,GAAG,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;IACpC,KAAmB,UAAe,EAAf,KAAA,SAAS,CAAC,KAAK,EAAf,cAAe,EAAf,IAAe,EAAE;QAA/B,IAAM,IAAI,SAAA;QACX,4DAA4D;QAC5D,IAAI,CAAC,gBAAI,CAAC,QAAQ,CAAC,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,UAAU;YAAE,SAAS;QAE7E,IAAM,IAAI,GAAG,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,mBAAmB,CAAC;QAC5D,IAAM,QAAQ,GAAG,kBAAY,CAAC,iBAAiB,CAAC,IAAI,EAAE,IAAI,CAAC,QAAQ,CAAC,CAAC;QAErE,IAAI,OAAO,SAAsB,EAAE,IAAI,GAAG,IAAI,CAAC;QAC/C,OAAO,QAAQ,CAAC,OAAO,EAAE;YACrB,IAAI,IAAI;gBAAE,OAAO,GAAG,QAAQ,CAAC,IAAI,EAAE,CAAC;YAEpC,IAAM,KAAK,GAAG,OAAQ,CAAC,KAAK,CAAC;YAC7B,IAAM,QAAQ,GAAG,GAAG,CAAC,KAAK,CAAC,CAAC;YAC5B,IAAM,OAAO,GAAG,QAAQ,CAAC,QAAQ,CAAC,CAAC;YACnC,IAAI,OAAO,CAAC,IAAI,KAAK,IAAI,EAAE;gBACvB,IAAI,GAAG,IAAI,CAAC;gBACZ,SAAS;aACZ;YAED,IAAI,IAAI,GAAG,KAAK,CAAC;YACjB,OAAO,QAAQ,CAAC,OAAO,EAAE;gBACrB,IAAI,GAAG,OAAQ,CAAC,KAAK,CAAC;gBACtB,OAAO,GAAG,QAAQ,CAAC,IAAI,EAAE,CAAC;gBAC1B,IAAI,QAAQ,KAAK,GAAG,CAAC,OAAO,CAAC,KAAK,CAAC,EAAE;oBACjC,IAAI,GAAG,KAAK,CAAC;oBACb,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG;wBAC5B,KAAK,EAAE,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,SAAS,EAAE,IAAI,EAAE,IAAI,CAAC,OAAO,CAAC,KAAK,CAAC,CAAC;wBAC7E,GAAG,EAAE,4BAAgB,CAAC,QAAQ,CAAC,MAAM,CAAC,SAAS,EAAE,IAAI,EAAE,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC;wBAC1E,MAAM,EAAE,IAAI,GAAG,KAAK,GAAG,CAAC;wBACxB,OAAO,SAAA;qBACV,CAAC;oBACF,MAAM;iBACT;aACJ;SACJ;KACJ;IAED,OAAO,UAA4B,CAAC;AACxC,CAAC"}
|
|
@@ -106,7 +106,7 @@ function getCustomPropCategories(customProp, ctx, params) {
|
|
|
106
106
|
if ((_a = params === null || params === void 0 ? void 0 : params.skipCategoryNames) === null || _a === void 0 ? void 0 : _a.has(cat.name))
|
|
107
107
|
continue;
|
|
108
108
|
if (cat.name.indexOf(prefix) !== 0)
|
|
109
|
-
throw new Error("Custom category '"
|
|
109
|
+
throw new Error("Custom category '".concat(cat.name, "' name must start with prefix '").concat(prefix, ".'"));
|
|
110
110
|
ret.push([cat, propCtx]);
|
|
111
111
|
}
|
|
112
112
|
return ret;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
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@@ -68,7 +68,7 @@ function getIntraBondOrderFromTable(compId, atomId1, atomId2) {
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68
68
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return 2;
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69
69
|
if (types_1.BaseNames.has(compId) && atomId1 === 'OP1' && atomId2 === 'P')
|
|
70
70
|
return 2;
|
|
71
|
-
return IntraBondOrderTable.get(compId
|
|
71
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+
return IntraBondOrderTable.get("".concat(compId, "|").concat(atomId1, "|").concat(atomId2)) || 1;
|
|
72
72
|
}
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73
73
|
exports.getIntraBondOrderFromTable = getIntraBondOrderFromTable;
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74
74
|
/**
|
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@@ -87,7 +87,7 @@ function getInterBondOrderFromTable(compId1, atomId1, compId2, atomId2) {
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|
|
87
87
|
_a = [compId2, compId1], compId1 = _a[0], compId2 = _a[1];
|
|
88
88
|
_b = [atomId2, atomId1], atomId1 = _b[0], atomId2 = _b[1];
|
|
89
89
|
}
|
|
90
|
-
return InterBondOrderTable.get(compId1
|
|
90
|
+
return InterBondOrderTable.get("".concat(compId1, "|").concat(atomId1, "|").concat(compId2, "|").concat(atomId2)) || 1;
|
|
91
91
|
}
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|
92
92
|
exports.getInterBondOrderFromTable = getInterBondOrderFromTable;
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93
93
|
//# sourceMappingURL=bonds.js.map
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|
@@ -1 +1 @@
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|
|
1
|
-
{"version":3,"file":"bonds.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/atomic/bonds.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,qCAAwD;AAExD;;;GAGG;AACH,IAAM,mBAAmB,GAAG,IAAI,GAAG,CAAC;IAChC,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IAEjB,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IAEd,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;CAClB,CAAC,CAAC;AAEH;;GAEG;AACH,SAAgB,0BAA0B,CAAC,MAAc,EAAE,OAAe,EAAE,OAAe;;IACvF,KAAqB,OAAO,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,EAA/E,OAAO,QAAA,EAAE,OAAO,QAAA,CAAgE;IACjF,IAAI,sBAAc,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,GAAG,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC/E,IAAI,iBAAS,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,KAAK,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC5E,OAAO,mBAAmB,CAAC,GAAG,
|
|
1
|
+
{"version":3,"file":"bonds.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/atomic/bonds.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,qCAAwD;AAExD;;;GAGG;AACH,IAAM,mBAAmB,GAAG,IAAI,GAAG,CAAC;IAChC,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,aAAa,EAAE,CAAC,CAAC;IAClB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IACjB,CAAC,YAAY,EAAE,CAAC,CAAC;IAEjB,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IACd,CAAC,SAAS,EAAE,CAAC,CAAC;IAEd,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;IACf,CAAC,UAAU,EAAE,CAAC,CAAC;CAClB,CAAC,CAAC;AAEH;;GAEG;AACH,SAAgB,0BAA0B,CAAC,MAAc,EAAE,OAAe,EAAE,OAAe;;IACvF,KAAqB,OAAO,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,OAAO,CAAC,EAA/E,OAAO,QAAA,EAAE,OAAO,QAAA,CAAgE;IACjF,IAAI,sBAAc,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,GAAG,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC/E,IAAI,iBAAS,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,OAAO,KAAK,KAAK,IAAI,OAAO,KAAK,GAAG;QAAE,OAAO,CAAC,CAAC;IAC5E,OAAO,mBAAmB,CAAC,GAAG,CAAC,UAAG,MAAM,cAAI,OAAO,cAAI,OAAO,CAAE,CAAC,IAAI,CAAC,CAAC;AAC3E,CAAC;AALD,gEAKC;AAED;;;GAGG;AACH,IAAM,mBAAmB,GAAG,IAAI,GAAG,CAAC;IAChC,CAAC,gBAAgB,EAAE,CAAC,CAAC,CAAC,iDAAiD;CAC1E,CAAC,CAAC;AAEH;;GAEG;AACH,SAAgB,0BAA0B,CAAC,OAAe,EAAE,OAAe,EAAE,OAAe,EAAE,OAAe;;IACzG,IAAI,OAAO,GAAG,OAAO,EAAE;QACnB,KAAqB,CAAC,OAAO,EAAE,OAAO,CAAC,EAAtC,OAAO,QAAA,EAAE,OAAO,QAAA,CAAuB;QACxC,KAAqB,CAAC,OAAO,EAAE,OAAO,CAAC,EAAtC,OAAO,QAAA,EAAE,OAAO,QAAA,CAAuB;KAC3C;IACD,OAAO,mBAAmB,CAAC,GAAG,CAAC,UAAG,OAAO,cAAI,OAAO,cAAI,OAAO,cAAI,OAAO,CAAE,CAAC,IAAI,CAAC,CAAC;AACvF,CAAC;AAND,gEAMC"}
|
|
@@ -56,11 +56,11 @@ var Symmetry;
|
|
|
56
56
|
var gamma = (0, misc_1.radToDeg)(anglesInRadians[2]).toFixed(2);
|
|
57
57
|
var label = [];
|
|
58
58
|
// name
|
|
59
|
-
label.push("Unit Cell <b>"
|
|
59
|
+
label.push("Unit Cell <b>".concat(name, "</b> #").concat(num));
|
|
60
60
|
// sizes
|
|
61
|
-
label.push(a
|
|
61
|
+
label.push("".concat(a, "\u00D7").concat(b, "\u00D7").concat(c, " \u212B"));
|
|
62
62
|
// angles
|
|
63
|
-
label.push("\u03B1="
|
|
63
|
+
label.push("\u03B1=".concat(alpha, "\u00B0 \u03B2=").concat(beta, "\u00B0 \u03B3=").concat(gamma, "\u00B0"));
|
|
64
64
|
return label.join(' | ');
|
|
65
65
|
}
|
|
66
66
|
Symmetry.getUnitcellLabel = getUnitcellLabel;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/model/properties/symmetry.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAGH,kDAAsD;AAGtD,0DAA2D;AAE3D,sFAA0F;AAC1F,kDAAqD;AAUrD;IAWI,kBAAY,EAAU,EAAE,OAAe,EAAU,iBAAuC;QAAvC,sBAAiB,GAAjB,iBAAiB,CAAsB;QACpF,IAAI,CAAC,EAAE,GAAG,EAAE,CAAC;QACb,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;IAC3B,CAAC;IATD,sBAAI,oCAAc;aAAlB;YACI,IAAI,IAAI,CAAC,UAAU;gBAAE,OAAO,IAAI,CAAC,UAAU,CAAC;YAC5C,IAAI,CAAC,UAAU,GAAG,IAAI,CAAC,iBAAiB,EAAE,CAAC;YAC3C,OAAO,IAAI,CAAC,UAAU,CAAC;QAC3B,CAAC;;;OAAA;IAML,eAAC;AAAD,CAAC,AAfD,IAeC;AAfY,4BAAQ;AAiBrB,WAAiB,QAAQ;IACrB,SAAgB,MAAM,CAAC,EAAU,EAAE,OAAe,EAAE,iBAAuC;QACvF,OAAO,IAAI,QAAQ,CAAC,EAAE,EAAE,OAAO,EAAE,iBAAiB,CAAC,CAAC;IACxD,CAAC;IAFe,eAAM,SAErB,CAAA;AACL,CAAC,EAJgB,QAAQ,GAAR,gBAAQ,KAAR,gBAAQ,QAIxB;AArBY,4BAAQ;AAuCrB,IAAU,QAAQ,CA2BjB;AA3BD,WAAU,QAAQ;IACD,gBAAO,GAAa,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,EAAE,qBAAU,CAAC,MAAM,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAErH,SAAgB,YAAY,CAAC,KAAY,EAAE,EAAU;QACjD,IAAM,GAAG,GAAG,EAAE,CAAC,iBAAiB,EAAE,CAAC;QACnC,IAAM,QAAQ,GAAG,wBAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QACnD,OAAO,QAAQ,CAAC,CAAC,CAAC,IAAA,gBAAS,EAAC,QAAQ,CAAC,UAAU,EAAE,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,EAAE,CAAC,WAAW,EAAE,KAAK,GAAG,EAA1B,CAA0B,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IAClG,CAAC;IAJe,qBAAY,eAI3B,CAAA;IAED,SAAgB,gBAAgB,CAAC,QAAkB;QACzC,IAAA,KAAsB,QAAQ,CAAC,UAAU,EAAvC,IAAI,UAAA,EAAE,IAAI,UAAA,EAAE,GAAG,SAAwB,CAAC;QACxC,IAAA,IAAI,GAAsB,IAAI,KAA1B,EAAE,eAAe,GAAK,IAAI,gBAAT,CAAU;QACvC,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,IAAI,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACrD,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,KAAK,GAAa,EAAE,CAAC;QAC3B,OAAO;QACP,KAAK,CAAC,IAAI,CAAC,
|
|
1
|
+
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../../../src/mol-model/structure/model/properties/symmetry.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAGH,kDAAsD;AAGtD,0DAA2D;AAE3D,sFAA0F;AAC1F,kDAAqD;AAUrD;IAWI,kBAAY,EAAU,EAAE,OAAe,EAAU,iBAAuC;QAAvC,sBAAiB,GAAjB,iBAAiB,CAAsB;QACpF,IAAI,CAAC,EAAE,GAAG,EAAE,CAAC;QACb,IAAI,CAAC,OAAO,GAAG,OAAO,CAAC;IAC3B,CAAC;IATD,sBAAI,oCAAc;aAAlB;YACI,IAAI,IAAI,CAAC,UAAU;gBAAE,OAAO,IAAI,CAAC,UAAU,CAAC;YAC5C,IAAI,CAAC,UAAU,GAAG,IAAI,CAAC,iBAAiB,EAAE,CAAC;YAC3C,OAAO,IAAI,CAAC,UAAU,CAAC;QAC3B,CAAC;;;OAAA;IAML,eAAC;AAAD,CAAC,AAfD,IAeC;AAfY,4BAAQ;AAiBrB,WAAiB,QAAQ;IACrB,SAAgB,MAAM,CAAC,EAAU,EAAE,OAAe,EAAE,iBAAuC;QACvF,OAAO,IAAI,QAAQ,CAAC,EAAE,EAAE,OAAO,EAAE,iBAAiB,CAAC,CAAC;IACxD,CAAC;IAFe,eAAM,SAErB,CAAA;AACL,CAAC,EAJgB,QAAQ,GAAR,gBAAQ,KAAR,gBAAQ,QAIxB;AArBY,4BAAQ;AAuCrB,IAAU,QAAQ,CA2BjB;AA3BD,WAAU,QAAQ;IACD,gBAAO,GAAa,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,EAAE,qBAAU,CAAC,MAAM,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAErH,SAAgB,YAAY,CAAC,KAAY,EAAE,EAAU;QACjD,IAAM,GAAG,GAAG,EAAE,CAAC,iBAAiB,EAAE,CAAC;QACnC,IAAM,QAAQ,GAAG,wBAAa,CAAC,QAAQ,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;QACnD,OAAO,QAAQ,CAAC,CAAC,CAAC,IAAA,gBAAS,EAAC,QAAQ,CAAC,UAAU,EAAE,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,EAAE,CAAC,WAAW,EAAE,KAAK,GAAG,EAA1B,CAA0B,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC;IAClG,CAAC;IAJe,qBAAY,eAI3B,CAAA;IAED,SAAgB,gBAAgB,CAAC,QAAkB;QACzC,IAAA,KAAsB,QAAQ,CAAC,UAAU,EAAvC,IAAI,UAAA,EAAE,IAAI,UAAA,EAAE,GAAG,SAAwB,CAAC;QACxC,IAAA,IAAI,GAAsB,IAAI,KAA1B,EAAE,eAAe,GAAK,IAAI,gBAAT,CAAU;QACvC,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,IAAI,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACrD,IAAM,KAAK,GAAG,IAAA,eAAQ,EAAC,eAAe,CAAC,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC;QACtD,IAAM,KAAK,GAAa,EAAE,CAAC;QAC3B,OAAO;QACP,KAAK,CAAC,IAAI,CAAC,uBAAgB,IAAI,mBAAS,GAAG,CAAE,CAAC,CAAC;QAC/C,QAAQ;QACR,KAAK,CAAC,IAAI,CAAC,UAAG,CAAC,mBAAS,CAAC,mBAAS,CAAC,YAAS,CAAC,CAAC;QAC9C,SAAS;QACT,KAAK,CAAC,IAAI,CAAC,iBAAU,KAAK,2BAAiB,IAAI,2BAAiB,KAAK,WAAQ,CAAC,CAAC;QAC/E,OAAO,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAC7B,CAAC;IAjBe,yBAAgB,mBAiB/B,CAAA;AACL,CAAC,EA3BS,QAAQ,KAAR,QAAQ,QA2BjB;AAEQ,4BAAQ"}
|
|
@@ -17,7 +17,7 @@ function getResidueId(seq_id, ins_code) {
|
|
|
17
17
|
return (0, util_1.cantorPairing)(ins_code.charCodeAt(0), seq_id);
|
|
18
18
|
if (ins_code.length === 2)
|
|
19
19
|
return (0, util_1.cantorPairing)(ins_code.charCodeAt(0), (0, util_1.cantorPairing)(ins_code.charCodeAt(1), seq_id));
|
|
20
|
-
return seq_id
|
|
20
|
+
return "".concat(seq_id, " ").concat(ins_code);
|
|
21
21
|
}
|
|
22
22
|
function updateMapMapIndex(map, key0, key1, index) {
|
|
23
23
|
if (map.has(key0)) {
|
|
@@ -33,7 +33,7 @@ function updateMapMapIndex(map, key0, key1, index) {
|
|
|
33
33
|
}
|
|
34
34
|
}
|
|
35
35
|
function missingEntity(k) {
|
|
36
|
-
throw new Error("Missing entity entry for entity id '"
|
|
36
|
+
throw new Error("Missing entity entry for entity id '".concat(k, "'."));
|
|
37
37
|
}
|
|
38
38
|
function createMapping(entities, data, segments) {
|
|
39
39
|
return {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"atomic-index.js","sourceRoot":"","sources":["../../../../../../../src/mol-model/structure/model/properties/utils/atomic-index.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;AAGH,mDAAkF;AAGlF,iDAAmE;AACnE,qDAA6D;AAG7D,SAAS,YAAY,CAAC,MAAc,EAAE,QAAgB;IAClD,IAAI,CAAC,QAAQ;QAAE,OAAO,MAAM,CAAC;IAC7B,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC;IAChF,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,IAAA,oBAAa,EAAC,QAAQ,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC;IACvH,
|
|
1
|
+
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@@ -52,7 +52,7 @@ function createLookUp(entities, chain, seq) {
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52
52
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return { findChainKey: findChainKey, findSequenceKey: findSequenceKey };
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53
53
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}
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54
54
|
function missingEntity(k) {
|
|
55
|
-
throw new Error("Missing entity entry for entity id '"
|
|
55
|
+
throw new Error("Missing entity entry for entity id '".concat(k, "'."));
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|
56
56
|
}
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|
57
57
|
function getCoarseKeys(data, entities) {
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58
58
|
var entity_id = data.entity_id, asym_id = data.asym_id, seq_id_begin = data.seq_id_begin, seq_id_end = data.seq_id_end, count = data.count, chainElementSegments = data.chainElementSegments;
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@@ -1 +1 @@
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1
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-
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