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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type: Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
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formula: Column.Schema.Str;
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type: Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
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type: Column.Schema.Aliased<"D-peptide linking" | "L-peptide linking" | "D-peptide NH3 amino terminus" | "L-peptide NH3 amino terminus" | "D-peptide COOH carboxy terminus" | "L-peptide COOH carboxy terminus" | "DNA linking" | "RNA linking" | "L-RNA linking" | "L-DNA linking" | "DNA OH 5 prime terminus" | "RNA OH 5 prime terminus" | "DNA OH 3 prime terminus" | "RNA OH 3 prime terminus" | "D-saccharide, beta linking" | "D-saccharide, alpha linking" | "L-saccharide, beta linking" | "L-saccharide, alpha linking" | "L-saccharide" | "D-saccharide" | "saccharide" | "non-polymer" | "peptide linking" | "peptide-like" | "L-gamma-peptide, C-delta linking" | "D-gamma-peptide, C-delta linking" | "L-beta-peptide, C-gamma linking" | "D-beta-peptide, C-gamma linking" | "other" | "Ion" | "Lipid">;
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formula: Column.Schema.Str;
|
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42
|
formula_weight: Column.Schema.Float;
|
|
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|
id: Column.Schema.Str;
|
|
@@ -28,7 +28,7 @@ export declare class EntityBuilder {
|
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28
28
|
formula_weight: Column.Schema.Float;
|
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29
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id: Column.Schema.Str;
|
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|
src_method: Column.Schema.Aliased<"nat" | "man" | "syn">;
|
|
31
|
-
type: Column.Schema.Aliased<"polymer" | "
|
|
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|
+
type: Column.Schema.Aliased<"non-polymer" | "polymer" | "macrolide" | "water" | "branched">;
|
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32
|
pdbx_description: Column.Schema.List<string>;
|
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|
pdbx_number_of_molecules: Column.Schema.Int;
|
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34
|
pdbx_mutation: Column.Schema.Str;
|
|
@@ -19,7 +19,7 @@ var EntityBuilder = /** @class */ (function () {
|
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19
19
|
}
|
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20
20
|
EntityBuilder.prototype.set = function (type, description) {
|
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this.count += 1;
|
|
22
|
-
this.ids.push(""
|
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|
+
this.ids.push("".concat(this.count));
|
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23
|
this.types.push(type);
|
|
24
24
|
this.descriptions.push([description]);
|
|
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25
|
};
|
|
@@ -27,7 +27,7 @@ var EntityBuilder = /** @class */ (function () {
|
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27
27
|
if (moleculeType === 2 /* Water */) {
|
|
28
28
|
if (this.waterId === undefined) {
|
|
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29
|
this.set('water', (options === null || options === void 0 ? void 0 : options.customName) || 'Water');
|
|
30
|
-
this.waterId = ""
|
|
30
|
+
this.waterId = "".concat(this.count);
|
|
31
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|
}
|
|
32
32
|
return this.waterId;
|
|
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|
}
|
|
@@ -37,8 +37,8 @@ var EntityBuilder = /** @class */ (function () {
|
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37
37
|
}
|
|
38
38
|
else {
|
|
39
39
|
if (!this.chainMap.has(chainId)) {
|
|
40
|
-
this.set('polymer', (options === null || options === void 0 ? void 0 : options.customName) || "Polymer "
|
|
41
|
-
this.chainMap.set(chainId, ""
|
|
40
|
+
this.set('polymer', (options === null || options === void 0 ? void 0 : options.customName) || "Polymer ".concat(this.chainMap.size + 1));
|
|
41
|
+
this.chainMap.set(chainId, "".concat(this.count));
|
|
42
42
|
}
|
|
43
43
|
return this.chainMap.get(chainId);
|
|
44
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|
}
|
|
@@ -46,7 +46,7 @@ var EntityBuilder = /** @class */ (function () {
|
|
|
46
46
|
else {
|
|
47
47
|
if (!this.heteroMap.has(compId)) {
|
|
48
48
|
this.set('non-polymer', (options === null || options === void 0 ? void 0 : options.customName) || this.namesMap.get(compId) || compId);
|
|
49
|
-
this.heteroMap.set(compId, ""
|
|
49
|
+
this.heteroMap.set(compId, "".concat(this.count));
|
|
50
50
|
}
|
|
51
51
|
return this.heteroMap.get(compId);
|
|
52
52
|
}
|
|
@@ -63,7 +63,7 @@ var EntityBuilder = /** @class */ (function () {
|
|
|
63
63
|
var _a = compounds[i], chains = _a.chains, description = _a.description;
|
|
64
64
|
this.set('polymer', description);
|
|
65
65
|
for (var j = 0, jl = chains.length; j < jl; ++j) {
|
|
66
|
-
this.compoundsMap.set(chains[j], ""
|
|
66
|
+
this.compoundsMap.set(chains[j], "".concat(this.count));
|
|
67
67
|
}
|
|
68
68
|
}
|
|
69
69
|
};
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/common/entity.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAgB,SAAS,EAAE,MAAM,0CAA0C,CAAC;AACnF,OAAO,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AACrD,OAAO,EAAE,WAAW,EAAE,MAAM,iBAAiB,CAAC;AAO9C;IAAA;QACY,UAAK,GAAG,CAAC,CAAA;QACT,QAAG,GAAa,EAAE,CAAA;QAClB,UAAK,GAAiB,EAAE,CAAA;QACxB,iBAAY,GAAe,EAAE,CAAA;QAE7B,iBAAY,GAAG,IAAI,GAAG,EAAkB,CAAA;QACxC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;QACpC,cAAS,GAAG,IAAI,GAAG,EAAkB,CAAA;QACrC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;IAyDhD,CAAC;IAtDW,2BAAG,GAAX,UAAY,IAAgB,EAAE,WAAmB;QAC7C,IAAI,CAAC,KAAK,IAAI,CAAC,CAAC;QAChB,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,
|
|
1
|
+
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/common/entity.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAgB,SAAS,EAAE,MAAM,0CAA0C,CAAC;AACnF,OAAO,EAAE,MAAM,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AACrD,OAAO,EAAE,WAAW,EAAE,MAAM,iBAAiB,CAAC;AAO9C;IAAA;QACY,UAAK,GAAG,CAAC,CAAA;QACT,QAAG,GAAa,EAAE,CAAA;QAClB,UAAK,GAAiB,EAAE,CAAA;QACxB,iBAAY,GAAe,EAAE,CAAA;QAE7B,iBAAY,GAAG,IAAI,GAAG,EAAkB,CAAA;QACxC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;QACpC,cAAS,GAAG,IAAI,GAAG,EAAkB,CAAA;QACrC,aAAQ,GAAG,IAAI,GAAG,EAAkB,CAAA;IAyDhD,CAAC;IAtDW,2BAAG,GAAX,UAAY,IAAgB,EAAE,WAAmB;QAC7C,IAAI,CAAC,KAAK,IAAI,CAAC,CAAC;QAChB,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;QAC/B,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;QACtB,IAAI,CAAC,YAAY,CAAC,IAAI,CAAC,CAAC,WAAW,CAAC,CAAC,CAAC;IAC1C,CAAC;IAED,mCAAW,GAAX,UAAY,MAAc,EAAE,YAA0B,EAAE,OAAe,EAAE,OAAiC;QACtG,IAAI,YAAY,kBAAuB,EAAE;YACrC,IAAI,IAAI,CAAC,OAAO,KAAK,SAAS,EAAE;gBAC5B,IAAI,CAAC,GAAG,CAAC,OAAO,EAAE,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,UAAU,KAAI,OAAO,CAAC,CAAC;gBAClD,IAAI,CAAC,OAAO,GAAG,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC;aAClC;YACD,OAAO,IAAI,CAAC,OAAO,CAAC;SACvB;aAAM,IAAI,SAAS,CAAC,YAAY,CAAC,EAAE;YAChC,IAAI,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,OAAO,CAAC,EAAE;gBAChC,OAAO,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,OAAO,CAAE,CAAC;aAC1C;iBAAM;gBACH,IAAI,CAAC,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAC,EAAE;oBAC7B,IAAI,CAAC,GAAG,CAAC,SAAS,EAAE,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,UAAU,KAAI,kBAAW,IAAI,CAAC,QAAQ,CAAC,IAAI,GAAG,CAAC,CAAE,CAAC,CAAC;oBAChF,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,EAAE,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;iBAC/C;gBACD,OAAO,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,OAAO,CAAE,CAAC;aACtC;SACJ;aAAM;YACH,IAAI,CAAC,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,MAAM,CAAC,EAAE;gBAC7B,IAAI,CAAC,GAAG,CAAC,aAAa,EAAE,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,UAAU,KAAI,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,MAAM,CAAC,IAAI,MAAM,CAAC,CAAC;gBACpF,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,MAAM,EAAE,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;aAC/C;YACD,OAAO,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,MAAM,CAAE,CAAC;SACtC;IACL,CAAC;IAED,sCAAc,GAAd;QACI,OAAO,KAAK,CAAC,gBAAgB,CAAC,WAAW,CAAC,MAAM,EAAE;YAC9C,EAAE,EAAE,MAAM,CAAC,aAAa,CAAC,IAAI,CAAC,GAAG,CAAC;YAClC,IAAI,EAAE,MAAM,CAAC,kBAAkB,CAAC,IAAI,CAAC,KAAK,CAAC;YAC3C,gBAAgB,EAAE,MAAM,CAAC,iBAAiB,CAAC,IAAI,CAAC,YAAY,CAAC;SAChE,EAAE,IAAI,CAAC,KAAK,CAAC,CAAC;IACnB,CAAC;IAED,oCAAY,GAAZ,UAAa,SAA2B;QACpC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;YAC1C,IAAA,KAA0B,SAAS,CAAC,CAAC,CAAC,EAApC,MAAM,YAAA,EAAE,WAAW,iBAAiB,CAAC;YAC7C,IAAI,CAAC,GAAG,CAAC,SAAS,EAAE,WAAW,CAAC,CAAC;YACjC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,MAAM,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAC7C,IAAI,CAAC,YAAY,CAAC,GAAG,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,UAAG,IAAI,CAAC,KAAK,CAAE,CAAC,CAAC;aACrD;SACJ;IACL,CAAC;IAED,gCAAQ,GAAR,UAAS,KAAyB;QAAlC,iBAEC;QADG,KAAK,CAAC,OAAO,CAAC,UAAA,CAAC,IAAI,OAAA,KAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,EAA7B,CAA6B,CAAC,CAAC;IACtD,CAAC;IACL,oBAAC;AAAD,CAAC,AAlED,IAkEC"}
|
|
@@ -50,7 +50,7 @@ export function parseRemark350(lines, lineStart, lineEnd) {
|
|
|
50
50
|
var line = getLine(i);
|
|
51
51
|
if (line.substr(11, 12) === 'BIOMOLECULE:') {
|
|
52
52
|
var id = line.substr(23).trim();
|
|
53
|
-
var details = "Biomolecule "
|
|
53
|
+
var details = "Biomolecule ".concat(id);
|
|
54
54
|
line = getLine(i + 1);
|
|
55
55
|
if (line.substr(11, 30) !== 'APPLY THE FOLLOWING TO CHAINS:') {
|
|
56
56
|
i++;
|
|
@@ -86,7 +86,7 @@ export function parseRemark350(lines, lineStart, lineEnd) {
|
|
|
86
86
|
}
|
|
87
87
|
else if (line.substr(11, 33) === 'APPLYING THE FOLLOWING TO CHAINS:') {
|
|
88
88
|
// variant in older PDB format version
|
|
89
|
-
current = PdbAssembly(""
|
|
89
|
+
current = PdbAssembly("".concat(asmId), "Biomolecule ".concat(asmId));
|
|
90
90
|
assemblies.push(current);
|
|
91
91
|
asmId += 1;
|
|
92
92
|
group = { chains: [], operators: [] };
|
|
@@ -143,9 +143,9 @@ export function parseRemark350(lines, lineStart, lineEnd) {
|
|
|
143
143
|
};
|
|
144
144
|
for (var i = 0; i < 3; i++) {
|
|
145
145
|
for (var j = 0; j < 3; j++) {
|
|
146
|
-
row["matrix["
|
|
146
|
+
row["matrix[".concat(i + 1, "][").concat(j + 1, "]")] = '' + Mat4.getValue(oper.matrix, i, j);
|
|
147
147
|
}
|
|
148
|
-
row["vector["
|
|
148
|
+
row["vector[".concat(i + 1, "]")] = '' + Mat4.getValue(oper.matrix, i, 3);
|
|
149
149
|
}
|
|
150
150
|
pdbx_struct_oper_list_rows.push(row);
|
|
151
151
|
}
|
|
@@ -159,13 +159,13 @@ export function parseRemark350(lines, lineStart, lineEnd) {
|
|
|
159
159
|
};
|
|
160
160
|
var _loop_1 = function (i) {
|
|
161
161
|
var _loop_2 = function (j) {
|
|
162
|
-
var k_1 = "matrix["
|
|
162
|
+
var k_1 = "matrix[".concat(i + 1, "][").concat(j + 1, "]");
|
|
163
163
|
pdbx_struct_oper_list[k_1] = CifField.ofStrings(pdbx_struct_oper_list_rows.map(function (r) { return r[k_1]; }));
|
|
164
164
|
};
|
|
165
165
|
for (var j = 0; j < 3; j++) {
|
|
166
166
|
_loop_2(j);
|
|
167
167
|
}
|
|
168
|
-
var k = "vector["
|
|
168
|
+
var k = "vector[".concat(i + 1, "]");
|
|
169
169
|
pdbx_struct_oper_list[k] = CifField.ofStrings(pdbx_struct_oper_list_rows.map(function (r) { return r[k]; }));
|
|
170
170
|
};
|
|
171
171
|
for (var i = 0; i < 3; i++) {
|
|
@@ -207,9 +207,9 @@ export function parseMtrix(lines, lineStart, lineEnd) {
|
|
|
207
207
|
};
|
|
208
208
|
for (var i = 0; i < 3; i++) {
|
|
209
209
|
for (var j = 0; j < 3; j++) {
|
|
210
|
-
row["matrix["
|
|
210
|
+
row["matrix[".concat(i + 1, "][").concat(j + 1, "]")] = '' + Mat4.getValue(oper, i, j);
|
|
211
211
|
}
|
|
212
|
-
row["vector["
|
|
212
|
+
row["vector[".concat(i + 1, "]")] = '' + Mat4.getValue(oper, i, 3);
|
|
213
213
|
}
|
|
214
214
|
struct_ncs_oper_rows.push(row);
|
|
215
215
|
}
|
|
@@ -220,13 +220,13 @@ export function parseMtrix(lines, lineStart, lineEnd) {
|
|
|
220
220
|
};
|
|
221
221
|
var _loop_3 = function (i) {
|
|
222
222
|
var _loop_4 = function (j) {
|
|
223
|
-
var k_2 = "matrix["
|
|
223
|
+
var k_2 = "matrix[".concat(i + 1, "][").concat(j + 1, "]");
|
|
224
224
|
struct_ncs_oper[k_2] = CifField.ofStrings(struct_ncs_oper_rows.map(function (r) { return r[k_2]; }));
|
|
225
225
|
};
|
|
226
226
|
for (var j = 0; j < 3; j++) {
|
|
227
227
|
_loop_4(j);
|
|
228
228
|
}
|
|
229
|
-
var k = "vector["
|
|
229
|
+
var k = "vector[".concat(i + 1, "]");
|
|
230
230
|
struct_ncs_oper[k] = CifField.ofStrings(struct_ncs_oper_rows.map(function (r) { return r[k]; }));
|
|
231
231
|
};
|
|
232
232
|
for (var i = 0; i < 3; i++) {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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+
{"version":3,"file":"assembly.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/pdb/assembly.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,WAAW,EAAE,QAAQ,EAAE,MAAM,4BAA4B,CAAC;AAEnE,OAAO,EAAE,IAAI,EAAE,MAAM,kCAAkC,CAAC;AAGxD,MAAM,UAAU,WAAW,CAAC,EAAU,EAAE,MAAc;IAClD,wCAAwC;IACxC,mFAAmF;IACnF,wCAAwC;IACxC,6CAA6C;IAC7C,6CAA6C;IAC7C,6CAA6C;IAC7C,+CAA+C;IAC/C,8CAA8C;IAC9C,+CAA+C;IAC/C,2CAA2C;IAC3C,uCAAuC;IAEvC,IAAM,GAAG,GAAG,UAAC,CAAS,EAAE,CAAS,IAAK,OAAA,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,IAAI,EAAE,EAAlC,CAAkC,CAAC;IAEzE,IAAM,IAAI,GAA6C;QACnD,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,EAAE,CAAC;QAC/B,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;QACtC,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACvC,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACvC,WAAW,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QAC1C,UAAU,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACzC,WAAW,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QAC1C,KAAK,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC;QACpC,gBAAgB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;KAC3C,CAAC;IACF,IAAM,QAAQ,GAAiD;QAC3D,QAAQ,EAAE,QAAQ,CAAC,QAAQ,CAAC,EAAE,CAAC;QAC/B,sBAAsB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;QACtD,iBAAiB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;QACzC,YAAY,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;QACpC,qBAAqB,EAAE,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC;KAChD,CAAC;IACF,OAAO,CAAC,WAAW,CAAC,QAAQ,CAAC,MAAM,EAAE,IAAI,CAAC,EAAE,WAAW,CAAC,QAAQ,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;AAC5F,CAAC;AAQD,SAAS,WAAW,CAAC,EAAU,EAAE,OAAe;IAC5C,OAAO,EAAE,EAAE,IAAA,EAAE,OAAO,SAAA,EAAE,MAAM,EAAE,EAAE,EAAE,CAAC;AACvC,CAAC;AAED,MAAM,UAAU,cAAc,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IAC5E,IAAM,UAAU,GAAkB,EAAE,CAAC;IAErC,sBAAsB;IACtB,IAAI,OAAoB,EAAE,KAA+B,EAAE,MAAY,EAAE,MAAM,GAAG,CAAC,EAAE,KAAK,GAAG,CAAC,CAAC;IAC/F,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IACpG,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAI,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACtB,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,cAAc,EAAE;YACxC,IAAM,EAAE,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;YAClC,IAAI,OAAO,GAAG,sBAAe,EAAE,CAAE,CAAC;YAClC,IAAI,GAAG,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;YACtB,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,gCAAgC,EAAE;gBAC1D,CAAC,EAAE,CAAC;gBACJ,OAAO,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;aACpC;YACD,OAAO,GAAG,WAAW,CAAC,EAAE,EAAE,OAAO,CAAC,CAAC;YACnC,UAAU,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;SAC5B;aAAM,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,CAAC,CAAC,KAAK,OAAO,EAAE;YACvC,IAAM,KAAK,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;YAChC,IAAM,GAAG,GAAG,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,GAAG,CAAC,CAAC;YAEnC,IAAI,GAAG,KAAK,CAAC,EAAE;gBACX,MAAM,GAAG,IAAI,CAAC,QAAQ,EAAE,CAAC;gBACzB,KAAM,CAAC,SAAS,CAAC,IAAI,CAAC,EAAE,EAAE,EAAE,MAAM,EAAE,EAAE,MAAM,QAAA,EAAE,CAAC,CAAC;aACnD;YAED,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACrD,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACrD,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;YACrD,IAAI,CAAC,QAAQ,CAAC,MAAO,EAAE,GAAG,EAAE,CAAC,EAAE,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IACH,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,gCAAgC;YACxD,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,gCAAgC,EAAE;YAE1D,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,CAAC,CAAC,KAAK,OAAO,EAAE;gBAChC,KAAK,GAAG,EAAE,MAAM,EAAE,EAAE,EAAE,SAAS,EAAE,EAAE,EAAE,CAAC;gBACtC,OAAQ,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;aAC/B;YAED,IAAM,SAAS,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC;YACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAChD,IAAM,CAAC,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;gBAC9B,IAAI,CAAC;oBAAE,KAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;aAChC;SACJ;aAAM,IAAI,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,KAAK,mCAAmC,EAAE;YACpE,sCAAsC;YACtC,OAAO,GAAG,WAAW,CAAC,UAAG,KAAK,CAAE,EAAE,sBAAe,KAAK,CAAE,CAAC,CAAC;YAC1D,UAAU,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;YACzB,KAAK,IAAI,CAAC,CAAC;YAEX,KAAK,GAAG,EAAE,MAAM,EAAE,EAAE,EAAE,SAAS,EAAE,EAAE,EAAE,CAAC;YACtC,OAAQ,CAAC,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;YAE5B,CAAC,EAAE,CAAC;YACJ,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;YAElB,IAAM,SAAS,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC;YACjD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,SAAS,CAAC,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;gBAChD,IAAM,CAAC,GAAG,SAAS,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;gBAC9B,IAAI,CAAC;oBAAE,KAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;aAChC;SACJ;KACJ;IAED,IAAI,UAAU,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,EAAE,CAAC;IAEvC,eAAe;IAEf,uBAAuB;IACvB,IAAM,oBAAoB,GAAiE;QACvF,EAAE,EAAE,QAAQ,CAAC,SAAS,CAAC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|
|
@@ -41,7 +41,7 @@ export function parseConect(lines, lineStart, lineEnd, sites) {
|
|
|
41
41
|
// as double/triple bonds, e.g. CONECT 1529 1528 1528 is a double bond
|
|
42
42
|
if (bondIndex[idxB] !== undefined)
|
|
43
43
|
continue;
|
|
44
|
-
id.push("covale"
|
|
44
|
+
id.push("covale".concat(k));
|
|
45
45
|
conn_type_id.push('covale');
|
|
46
46
|
ptnr1_label_asym_id.push(sites.label_asym_id.str(idxA));
|
|
47
47
|
ptnr1_auth_seq_id.push(sites.auth_seq_id.int(idxA));
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"conect.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/pdb/conect.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,WAAW,EAAE,QAAQ,EAAE,MAAM,4BAA4B,CAAC;AAInE,MAAM,UAAU,WAAW,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe,EAAE,KAA4D;IACvI,IAAM,KAAK,GAA4B,EAAE,CAAC;IAC1C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,EAAG,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAClD,KAAK,CAAC,KAAK,CAAC,EAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;KAC/B;IAED,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAM,EAAE,GAAa,EAAE,CAAC;IACxB,IAAM,YAAY,GAAa,EAAE,CAAC;IAElC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IACzC,IAAM,kBAAkB,GAAa,EAAE,CAAC;IACxC,IAAM,iBAAiB,GAAa,EAAE,CAAC;IACvC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IAEzC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IACzC,IAAM,kBAAkB,GAAa,EAAE,CAAC;IACxC,IAAM,iBAAiB,GAAa,EAAE,CAAC;IACvC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IAEzC,IAAM,GAAG,GAAG,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;IAE7B,IAAI,CAAC,GAAG,CAAC,CAAC;IAEV,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,IAAM,IAAI,GAAG,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;QAEhD,IAAM,SAAS,GAA0B,EAAE,CAAC;QAE5C,IAAI,IAAI,KAAK,SAAS;YAAE,SAAS;QAEjC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;YACxB,IAAM,GAAG,GAAG,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;YAC7C,IAAI,MAAM,CAAC,KAAK,CAAC,GAAG,CAAC;gBAAE,SAAS;YAEhC,IAAM,IAAI,GAAG,KAAK,CAAC,GAAG,CAAC,CAAC;YACxB,IAAI,IAAI,KAAK,SAAS;gBAAE,SAAS;YACjC,IAAI,IAAI,GAAG,IAAI;gBAAE,SAAS;YAE1B,sEAAsE;YACtE,sEAAsE;YACtE,IAAI,SAAS,CAAC,IAAI,CAAC,KAAK,SAAS;gBAAE,SAAS;YAE5C,EAAE,CAAC,IAAI,CAAC,
|
|
1
|
+
{"version":3,"file":"conect.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/pdb/conect.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,WAAW,EAAE,QAAQ,EAAE,MAAM,4BAA4B,CAAC;AAInE,MAAM,UAAU,WAAW,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe,EAAE,KAA4D;IACvI,IAAM,KAAK,GAA4B,EAAE,CAAC;IAC1C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,EAAG,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;QAClD,KAAK,CAAC,KAAK,CAAC,EAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;KAC/B;IAED,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAM,EAAE,GAAa,EAAE,CAAC;IACxB,IAAM,YAAY,GAAa,EAAE,CAAC;IAElC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IACzC,IAAM,kBAAkB,GAAa,EAAE,CAAC;IACxC,IAAM,iBAAiB,GAAa,EAAE,CAAC;IACvC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IAEzC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IACzC,IAAM,kBAAkB,GAAa,EAAE,CAAC;IACxC,IAAM,iBAAiB,GAAa,EAAE,CAAC;IACvC,IAAM,mBAAmB,GAAa,EAAE,CAAC;IAEzC,IAAM,GAAG,GAAG,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;IAE7B,IAAI,CAAC,GAAG,CAAC,CAAC;IAEV,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,IAAM,IAAI,GAAG,KAAK,CAAC,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;QAEhD,IAAM,SAAS,GAA0B,EAAE,CAAC;QAE5C,IAAI,IAAI,KAAK,SAAS;YAAE,SAAS;QAEjC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;YACxB,IAAM,GAAG,GAAG,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;YAC7C,IAAI,MAAM,CAAC,KAAK,CAAC,GAAG,CAAC;gBAAE,SAAS;YAEhC,IAAM,IAAI,GAAG,KAAK,CAAC,GAAG,CAAC,CAAC;YACxB,IAAI,IAAI,KAAK,SAAS;gBAAE,SAAS;YACjC,IAAI,IAAI,GAAG,IAAI;gBAAE,SAAS;YAE1B,sEAAsE;YACtE,sEAAsE;YACtE,IAAI,SAAS,CAAC,IAAI,CAAC,KAAK,SAAS;gBAAE,SAAS;YAE5C,EAAE,CAAC,IAAI,CAAC,gBAAS,CAAC,CAAE,CAAC,CAAC;YACtB,YAAY,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;YAE5B,mBAAmB,CAAC,IAAI,CAAC,KAAK,CAAC,aAAc,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YACzD,iBAAiB,CAAC,IAAI,CAAC,KAAK,CAAC,WAAY,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YACrD,kBAAkB,CAAC,IAAI,CAAC,KAAK,CAAC,YAAa,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YACvD,mBAAmB,CAAC,IAAI,CAAC,KAAK,CAAC,aAAc,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YAEzD,mBAAmB,CAAC,IAAI,CAAC,KAAK,CAAC,aAAc,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YACzD,iBAAiB,CAAC,IAAI,CAAC,KAAK,CAAC,WAAY,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YACrD,kBAAkB,CAAC,IAAI,CAAC,KAAK,CAAC,YAAa,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YACvD,mBAAmB,CAAC,IAAI,CAAC,KAAK,CAAC,aAAc,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,CAAC;YAEzD,CAAC,IAAI,CAAC,CAAC;SACV;KACJ;IAED,IAAM,WAAW,GAA6D;QAC1E,EAAE,EAAE,QAAQ,CAAC,SAAS,CAAC,EAAE,CAAC;QAC1B,YAAY,EAAE,QAAQ,CAAC,SAAS,CAAC,YAAY,CAAC;QAE9C,mBAAmB,EAAE,QAAQ,CAAC,SAAS,CAAC,mBAAmB,CAAC;QAC5D,iBAAiB,EAAE,QAAQ,CAAC,SAAS,CAAC,iBAAiB,CAAC;QACxD,kBAAkB,EAAE,QAAQ,CAAC,SAAS,CAAC,kBAAkB,CAAC;QAC1D,mBAAmB,EAAE,QAAQ,CAAC,SAAS,CAAC,mBAAmB,CAAC;QAE5D,mBAAmB,EAAE,QAAQ,CAAC,SAAS,CAAC,mBAAmB,CAAC;QAC5D,kBAAkB,EAAE,QAAQ,CAAC,SAAS,CAAC,kBAAkB,CAAC;QAC1D,iBAAiB,EAAE,QAAQ,CAAC,SAAS,CAAC,iBAAiB,CAAC;QACxD,mBAAmB,EAAE,QAAQ,CAAC,SAAS,CAAC,mBAAmB,CAAC;KAC/D,CAAC;IAEF,OAAO,WAAW,CAAC,QAAQ,CAAC,aAAa,EAAE,WAAW,CAAC,CAAC;AAC5D,CAAC"}
|
|
@@ -18,7 +18,7 @@ export function parseCmpnd(lines, lineStart, lineEnd) {
|
|
|
18
18
|
var getLine = function (n) { return lines.data.substring(lines.indices[2 * n], lines.indices[2 * n + 1]); };
|
|
19
19
|
var currentSpec;
|
|
20
20
|
var currentCompound = { chains: [], description: '' };
|
|
21
|
-
var
|
|
21
|
+
var compounds = [];
|
|
22
22
|
for (var i = lineStart; i < lineEnd; i++) {
|
|
23
23
|
var line = getLine(i);
|
|
24
24
|
// COLUMNS DATA TYPE FIELD DEFINITION
|
|
@@ -44,7 +44,7 @@ export function parseCmpnd(lines, lineStart, lineEnd) {
|
|
|
44
44
|
chains: [],
|
|
45
45
|
description: ''
|
|
46
46
|
};
|
|
47
|
-
|
|
47
|
+
compounds.push(currentCompound);
|
|
48
48
|
}
|
|
49
49
|
else if (currentSpec === 'MOLECULE') {
|
|
50
50
|
if (currentCompound.description)
|
|
@@ -55,7 +55,33 @@ export function parseCmpnd(lines, lineStart, lineEnd) {
|
|
|
55
55
|
Array.prototype.push.apply(currentCompound.chains, value.split(/\s*,\s*/));
|
|
56
56
|
}
|
|
57
57
|
}
|
|
58
|
-
|
|
58
|
+
// Define a seprate entity for each chain
|
|
59
|
+
// --------------------------------------
|
|
60
|
+
//
|
|
61
|
+
// This is a workaround for how sequences are currently determined for PDB files.
|
|
62
|
+
//
|
|
63
|
+
// The current approach infers the "observed sequence" from the atomic hierarchy.
|
|
64
|
+
// However, for example for PDB ID 3HHR, this approach fails, since chains B and C
|
|
65
|
+
// belong to the same entity but contain different observed sequence, which causes display
|
|
66
|
+
// errors in the sequence viewer (since the sequences are determined "per entity").
|
|
67
|
+
//
|
|
68
|
+
// A better approach could be to parse SEQRES categories and use it to construct
|
|
69
|
+
// entity_poly_seq category. However, this would require constructing label_seq_id (with gaps)
|
|
70
|
+
// from RES ID pdb column (auth_seq_id), which isn't a trivial exercise.
|
|
71
|
+
//
|
|
72
|
+
// (properly formatted) mmCIF structures do not exhibit this issue.
|
|
73
|
+
var singletons = [];
|
|
74
|
+
for (var _i = 0, compounds_1 = compounds; _i < compounds_1.length; _i++) {
|
|
75
|
+
var comp = compounds_1[_i];
|
|
76
|
+
for (var _a = 0, _b = comp.chains; _a < _b.length; _a++) {
|
|
77
|
+
var chain = _b[_a];
|
|
78
|
+
singletons.push({
|
|
79
|
+
description: comp.description,
|
|
80
|
+
chains: [chain]
|
|
81
|
+
});
|
|
82
|
+
}
|
|
83
|
+
}
|
|
84
|
+
return singletons;
|
|
59
85
|
}
|
|
60
86
|
export function parseHetnam(lines, lineStart, lineEnd) {
|
|
61
87
|
var getLine = function (n) { return lines.data.substring(lines.indices[2 * n], lines.indices[2 * n + 1]); };
|
|
@@ -71,7 +97,7 @@ export function parseHetnam(lines, lineStart, lineEnd) {
|
|
|
71
97
|
var het = line.substr(11, 3).trim();
|
|
72
98
|
var name_1 = line.substr(15).trim();
|
|
73
99
|
if (hetnams.has(het)) {
|
|
74
|
-
hetnams.set(het, hetnams.get(het)
|
|
100
|
+
hetnams.set(het, "".concat(hetnams.get(het), " ").concat(name_1));
|
|
75
101
|
}
|
|
76
102
|
else {
|
|
77
103
|
hetnams.set(het, name_1);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/pdb/entity.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAKH,IAAM,IAAI,GAAG;IACT,QAAQ,EAAE,EAAE;IACZ,UAAU,EAAE,EAAE;IACd,OAAO,EAAE,EAAE;IACX,UAAU,EAAE,EAAE;IACd,SAAS,EAAE,EAAE;IACb,IAAI,EAAE,EAAE;IACR,YAAY,EAAE,EAAE;IAChB,UAAU,EAAE,EAAE;IACd,eAAe,EAAE,EAAE;CACtB,CAAC;AAGF,MAAM,UAAU,UAAU,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACxE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAI,WAA6B,CAAC;IAClC,IAAI,eAAe,GAAmB,EAAE,MAAM,EAAE,EAAE,EAAE,WAAW,EAAE,EAAE,EAAE,CAAC;IACtE,IAAM,SAAS,GAAqB,EAAE,CAAC;IAEvC,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,qFAAqF;QACrF,yCAAyC;QACzC,wFAAwF;QACxF,uFAAuF;QACvF,qBAAqB;QAErB,IAAM,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QACzC,IAAM,YAAY,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;QACxC,IAAM,SAAS,GAAG,KAAK,CAAC,SAAS,CAAC,CAAC,EAAE,YAAY,CAAC,CAAC;QAEnD,IAAI,KAAK,SAAQ,CAAC;QAElB,IAAI,SAAS,IAAI,IAAI,EAAE;YACnB,WAAW,GAAG,SAAiB,CAAC;YAChC,KAAK,GAAG,KAAK,CAAC,SAAS,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;SAC7C;aAAM;YACH,KAAK,GAAG,KAAK,CAAC;SACjB;QACD,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC;QAEhC,IAAI,WAAW,KAAK,QAAQ,EAAE;YAC1B,eAAe,GAAG;gBACd,MAAM,EAAE,EAAE;gBACV,WAAW,EAAE,EAAE;aAClB,CAAC;YACF,SAAS,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;SACnC;aAAM,IAAI,WAAW,KAAK,UAAU,EAAE;YACnC,IAAI,eAAe,CAAC,WAAW;gBAAE,eAAe,CAAC,WAAW,IAAI,GAAG,CAAC;YACpE,eAAe,CAAC,WAAW,IAAI,KAAK,CAAC;SACxC;aAAM,IAAI,WAAW,KAAK,OAAO,EAAE;YAChC,KAAK,CAAC,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,MAAM,EAAE,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC;SAC9E;KACJ;IAED,OAAO,
|
|
1
|
+
{"version":3,"file":"entity.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/pdb/entity.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAKH,IAAM,IAAI,GAAG;IACT,QAAQ,EAAE,EAAE;IACZ,UAAU,EAAE,EAAE;IACd,OAAO,EAAE,EAAE;IACX,UAAU,EAAE,EAAE;IACd,SAAS,EAAE,EAAE;IACb,IAAI,EAAE,EAAE;IACR,YAAY,EAAE,EAAE;IAChB,UAAU,EAAE,EAAE;IACd,eAAe,EAAE,EAAE;CACtB,CAAC;AAGF,MAAM,UAAU,UAAU,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACxE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAI,WAA6B,CAAC;IAClC,IAAI,eAAe,GAAmB,EAAE,MAAM,EAAE,EAAE,EAAE,WAAW,EAAE,EAAE,EAAE,CAAC;IACtE,IAAM,SAAS,GAAqB,EAAE,CAAC;IAEvC,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,qFAAqF;QACrF,yCAAyC;QACzC,wFAAwF;QACxF,uFAAuF;QACvF,qBAAqB;QAErB,IAAM,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QACzC,IAAM,YAAY,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC;QACxC,IAAM,SAAS,GAAG,KAAK,CAAC,SAAS,CAAC,CAAC,EAAE,YAAY,CAAC,CAAC;QAEnD,IAAI,KAAK,SAAQ,CAAC;QAElB,IAAI,SAAS,IAAI,IAAI,EAAE;YACnB,WAAW,GAAG,SAAiB,CAAC;YAChC,KAAK,GAAG,KAAK,CAAC,SAAS,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;SAC7C;aAAM;YACH,KAAK,GAAG,KAAK,CAAC;SACjB;QACD,KAAK,GAAG,KAAK,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC;QAEhC,IAAI,WAAW,KAAK,QAAQ,EAAE;YAC1B,eAAe,GAAG;gBACd,MAAM,EAAE,EAAE;gBACV,WAAW,EAAE,EAAE;aAClB,CAAC;YACF,SAAS,CAAC,IAAI,CAAC,eAAe,CAAC,CAAC;SACnC;aAAM,IAAI,WAAW,KAAK,UAAU,EAAE;YACnC,IAAI,eAAe,CAAC,WAAW;gBAAE,eAAe,CAAC,WAAW,IAAI,GAAG,CAAC;YACpE,eAAe,CAAC,WAAW,IAAI,KAAK,CAAC;SACxC;aAAM,IAAI,WAAW,KAAK,OAAO,EAAE;YAChC,KAAK,CAAC,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,eAAe,CAAC,MAAM,EAAE,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC;SAC9E;KACJ;IAED,yCAAyC;IACzC,yCAAyC;IACzC,EAAE;IACF,iFAAiF;IACjF,EAAE;IACF,iFAAiF;IACjF,kFAAkF;IAClF,0FAA0F;IAC1F,mFAAmF;IACnF,EAAE;IACF,gFAAgF;IAChF,8FAA8F;IAC9F,wEAAwE;IACxE,EAAE;IACF,mEAAmE;IACnE,IAAM,UAAU,GAAqB,EAAE,CAAC;IACxC,KAAmB,UAAS,EAAT,uBAAS,EAAT,uBAAS,EAAT,IAAS,EAAE;QAAzB,IAAM,IAAI,kBAAA;QACX,KAAoB,UAAW,EAAX,KAAA,IAAI,CAAC,MAAM,EAAX,cAAW,EAAX,IAAW,EAAE;YAA5B,IAAM,KAAK,SAAA;YACZ,UAAU,CAAC,IAAI,CAAC;gBACZ,WAAW,EAAE,IAAI,CAAC,WAAW;gBAC7B,MAAM,EAAE,CAAC,KAAK,CAAC;aAClB,CAAC,CAAC;SACN;KACJ;IACD,OAAO,UAAU,CAAC;AACtB,CAAC;AAED,MAAM,UAAU,WAAW,CAAC,KAAa,EAAE,SAAiB,EAAE,OAAe;IACzE,IAAM,OAAO,GAAG,UAAC,CAAS,IAAK,OAAA,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,CAAC,EAAE,KAAK,CAAC,OAAO,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,EAApE,CAAoE,CAAC;IAEpG,IAAM,OAAO,GAAG,IAAI,GAAG,EAAkB,CAAC;IAE1C,KAAK,IAAI,CAAC,GAAG,SAAS,EAAE,CAAC,GAAG,OAAO,EAAE,CAAC,EAAE,EAAE;QACtC,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,yDAAyD;QACzD,+EAA+E;QAC/E,uCAAuC;QACvC,wFAAwF;QACxF,+EAA+E;QAC/E,6DAA6D;QAE7D,IAAM,GAAG,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;QACtC,IAAM,MAAI,GAAG,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,CAAC,IAAI,EAAE,CAAC;QAEpC,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE;YAClB,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,UAAG,OAAO,CAAC,GAAG,CAAC,GAAG,CAAE,cAAI,MAAI,CAAE,CAAC,CAAC;SACpD;aAAM;YACH,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,MAAI,CAAC,CAAC;SAC1B;KACJ;IAED,OAAO,OAAO,CAAC;AACnB,CAAC"}
|
|
@@ -91,7 +91,7 @@ function getAssemblyOperators(matrices, operatorNames, startIndex, assemblyId) {
|
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|
91
91
|
Mat4.mul(m, m, matrices.get(op[i]));
|
|
92
92
|
}
|
|
93
93
|
index++;
|
|
94
|
-
operators[operators.length] = SymmetryOperator.create("ASM_"
|
|
94
|
+
operators[operators.length] = SymmetryOperator.create("ASM_".concat(index), m, { assembly: { id: assemblyId, operId: index, operList: op } });
|
|
95
95
|
}
|
|
96
96
|
return operators;
|
|
97
97
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"assembly.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/property/assembly.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,kCAAkC,CAAC;AACtE,OAAO,EAAE,gBAAgB,EAAE,MAAM,8CAA8C,CAAC;AAChF,OAAO,EAAE,QAAQ,EAAiC,MAAM,wDAAwD,CAAC;AACjH,OAAO,EAAE,OAAO,IAAI,CAAC,EAAE,MAAM,8BAA8B,CAAC;AAC5D,OAAO,EAAE,mBAAmB,EAAE,MAAM,8BAA8B,CAAC;AAQnE,MAAM,UAAU,gBAAgB,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,qBAAqC;IACrJ,IAAI,CAAC,oBAAoB,CAAC,SAAS;QAAE,OAAO,EAAE,CAAC;IAE/C,IAAM,QAAQ,GAAG,WAAW,CAAC,qBAAqB,CAAC,CAAC;IACpD,IAAM,UAAU,GAAe,EAAE,CAAC;IAClC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,oBAAoB,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QACrD,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG,cAAc,CAAC,oBAAoB,EAAE,wBAAwB,EAAE,CAAC,EAAE,QAAQ,CAAC,CAAC;KAC/G;IACD,OAAO,UAAU,CAAC;AACtB,CAAC;AAKD,SAAS,cAAc,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,KAAa,EAAE,QAAkB;IACxI,IAAM,EAAE,GAAG,oBAAoB,CAAC,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAChD,IAAM,OAAO,GAAG,oBAAoB,CAAC,OAAO,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAC1D,IAAM,UAAU,GAAgB,EAAE,CAAC;IAE3B,IAAA,WAAW,GAAoC,wBAAwB,YAA5D,EAAE,eAAe,GAAmB,wBAAwB,gBAA3C,EAAE,YAAY,GAAK,wBAAwB,aAA7B,CAA8B;IAEhF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,wBAAwB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAClE,IAAI,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,EAAE;YAAE,SAAS;QAC1C,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG;YAC5B,UAAU,EAAE,EAAE;YACd,UAAU,EAAE,eAAe,CAAC,KAAK,CAAC,CAAC,CAAC;YACpC,OAAO,EAAE,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;SACjC,CAAC;KACL;IAED,OAAO,QAAQ,CAAC,MAAM,CAAC,EAAE,EAAE,OAAO,EAAE,sBAAsB,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;AACtF,CAAC;AAED,SAAS,sBAAsB,CAAC,UAAuB,EAAE,QAAkB;IACvE,OAAO;QACH,IAAM,MAAM,GAAoB,EAAE,CAAC;QAEnC,IAAI,cAAc,GAAG,CAAC,CAAC;QACvB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,UAAU,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACxC,IAAM,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC;YAC1B,IAAM,YAAY,GAAG,iBAAiB,CAAC,GAAG,CAAC,UAAU,CAAC,CAAC;YACvD,IAAM,aAAa,GAAG,eAAe,CAAC,YAAY,CAAC,CAAC;YACpD,IAAM,SAAS,GAAG,oBAAoB,CAAC,QAAQ,EAAE,aAAa,EAAE,cAAc,EAAE,GAAG,CAAC,UAAU,CAAC,CAAC;YAChG,IAAM,QAAQ,GAAG,CAAC,CAAC,UAAU,CAAC,KAAK,CAAC,EAAE,SAAS,EAAE,CAAC,CAAC,IAAI,CAAC,GAAG,CACvD,CAAC,CAAC,IAAI,CAAC,EAAE,CAAC,UAAA,GAAG,IAAI,OAAA,mBAAmB,CAAC,IAAI,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAAnD,CAAmD,EAAE,gBAAgB,CAAC,WAAW,CAAC,EACnG,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,UAAA,GAAG,IAAI,OAAA,mBAAmB,CAAC,KAAK,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAApD,CAAoD,EAAE,GAAG,CAAC,OAAO,CAAC,CACzF,EAAE,CAAC,CAAC;YACL,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,EAAE,QAAQ,UAAA,EAAE,SAAS,WAAA,EAAE,CAAC;YAChD,cAAc,IAAI,SAAS,CAAC,MAAM,CAAC;SACtC;QAED,OAAO,MAAM,CAAC;IAClB,CAAC,CAAC;AACN,CAAC;AAED,SAAS,WAAW,CAAC,qBAAqC;IAC9C,IAAA,EAAE,GAA8B,qBAAqB,GAAnD,EAAE,MAAM,GAAsB,qBAAqB,OAA3C,EAAE,MAAM,GAAc,qBAAqB,OAAnC,EAAE,OAAO,GAAK,qBAAqB,QAA1B,CAA2B;IAC9D,IAAM,QAAQ,GAAG,IAAI,GAAG,EAAgB,CAAC;IAEzC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,qBAAqB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAC/D,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,IAAI,CAAC,cAAc,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,IAAI,CAAC,QAAQ,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;KAChC;IAED,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,eAAe,CAAC,YAAwB;IAC7C,IAAM,GAAG,GAAe,EAAE,CAAC;IAC3B,IAAM,SAAS,GAAa,EAAE,CAAC;IAC/B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,CAAC,MAAM,EAAE,CAAC,EAAE;QAAE,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC;IAChE,gBAAgB,CAAC,YAAY,EAAE,GAAG,EAAE,YAAY,CAAC,MAAM,GAAG,CAAC,EAAE,SAAS,CAAC,CAAC;IACxE,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,gBAAgB,CAAC,aAAyB,EAAE,IAAgB,EAAE,CAAS,EAAE,OAAiB;IAC/F,IAAI,CAAC,GAAG,CAAC,EAAE;QACP,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QACrC,OAAO;KACV;IAED,IAAM,GAAG,GAAG,aAAa,CAAC,CAAC,CAAC,EAAE,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC;IAC/C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,EAAE,CAAC,EAAE,EAAE;QAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,GAAG,CAAC,CAAC,CAAC,CAAC;QACpB,gBAAgB,CAAC,aAAa,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE,OAAO,CAAC,CAAC;KACzD;AACL,CAAC;AAED,SAAS,oBAAoB,CAAC,QAAkB,EAAE,aAAyB,EAAE,UAAkB,EAAE,UAAkB;IAC/G,IAAM,SAAS,GAAuB,EAAE,CAAC;IAEzC,IAAI,KAAK,GAAG,UAAU,CAAC;IACvB,KAAiB,UAAa,EAAb,+BAAa,EAAb,2BAAa,EAAb,IAAa,EAAE;QAA3B,IAAM,EAAE,sBAAA;QACT,IAAM,CAAC,GAAG,IAAI,CAAC,QAAQ,EAAE,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YAChC,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,EAAE,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,CAAE,CAAC,CAAC;SACxC;QACD,KAAK,EAAE,CAAC;QACR,SAAS,CAAC,SAAS,CAAC,MAAM,CAAC,GAAG,gBAAgB,CAAC,MAAM,CAAC,
|
|
1
|
+
{"version":3,"file":"assembly.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/property/assembly.ts"],"names":[],"mappings":"AAAA;;;;GAIG;AAEH,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,kCAAkC,CAAC;AACtE,OAAO,EAAE,gBAAgB,EAAE,MAAM,8CAA8C,CAAC;AAChF,OAAO,EAAE,QAAQ,EAAiC,MAAM,wDAAwD,CAAC;AACjH,OAAO,EAAE,OAAO,IAAI,CAAC,EAAE,MAAM,8BAA8B,CAAC;AAC5D,OAAO,EAAE,mBAAmB,EAAE,MAAM,8BAA8B,CAAC;AAQnE,MAAM,UAAU,gBAAgB,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,qBAAqC;IACrJ,IAAI,CAAC,oBAAoB,CAAC,SAAS;QAAE,OAAO,EAAE,CAAC;IAE/C,IAAM,QAAQ,GAAG,WAAW,CAAC,qBAAqB,CAAC,CAAC;IACpD,IAAM,UAAU,GAAe,EAAE,CAAC;IAClC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,oBAAoB,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QACrD,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG,cAAc,CAAC,oBAAoB,EAAE,wBAAwB,EAAE,CAAC,EAAE,QAAQ,CAAC,CAAC;KAC/G;IACD,OAAO,UAAU,CAAC;AACtB,CAAC;AAKD,SAAS,cAAc,CAAC,oBAAoC,EAAE,wBAA2C,EAAE,KAAa,EAAE,QAAkB;IACxI,IAAM,EAAE,GAAG,oBAAoB,CAAC,EAAE,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAChD,IAAM,OAAO,GAAG,oBAAoB,CAAC,OAAO,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC;IAC1D,IAAM,UAAU,GAAgB,EAAE,CAAC;IAE3B,IAAA,WAAW,GAAoC,wBAAwB,YAA5D,EAAE,eAAe,GAAmB,wBAAwB,gBAA3C,EAAE,YAAY,GAAK,wBAAwB,aAA7B,CAA8B;IAEhF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,wBAAwB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAClE,IAAI,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,EAAE;YAAE,SAAS;QAC1C,UAAU,CAAC,UAAU,CAAC,MAAM,CAAC,GAAG;YAC5B,UAAU,EAAE,EAAE;YACd,UAAU,EAAE,eAAe,CAAC,KAAK,CAAC,CAAC,CAAC;YACpC,OAAO,EAAE,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;SACjC,CAAC;KACL;IAED,OAAO,QAAQ,CAAC,MAAM,CAAC,EAAE,EAAE,OAAO,EAAE,sBAAsB,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;AACtF,CAAC;AAED,SAAS,sBAAsB,CAAC,UAAuB,EAAE,QAAkB;IACvE,OAAO;QACH,IAAM,MAAM,GAAoB,EAAE,CAAC;QAEnC,IAAI,cAAc,GAAG,CAAC,CAAC;QACvB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,UAAU,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACxC,IAAM,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC;YAC1B,IAAM,YAAY,GAAG,iBAAiB,CAAC,GAAG,CAAC,UAAU,CAAC,CAAC;YACvD,IAAM,aAAa,GAAG,eAAe,CAAC,YAAY,CAAC,CAAC;YACpD,IAAM,SAAS,GAAG,oBAAoB,CAAC,QAAQ,EAAE,aAAa,EAAE,cAAc,EAAE,GAAG,CAAC,UAAU,CAAC,CAAC;YAChG,IAAM,QAAQ,GAAG,CAAC,CAAC,UAAU,CAAC,KAAK,CAAC,EAAE,SAAS,EAAE,CAAC,CAAC,IAAI,CAAC,GAAG,CACvD,CAAC,CAAC,IAAI,CAAC,EAAE,CAAC,UAAA,GAAG,IAAI,OAAA,mBAAmB,CAAC,IAAI,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAAnD,CAAmD,EAAE,gBAAgB,CAAC,WAAW,CAAC,EACnG,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,UAAA,GAAG,IAAI,OAAA,mBAAmB,CAAC,KAAK,CAAC,aAAa,CAAC,GAAG,CAAC,OAAO,CAAC,EAApD,CAAoD,EAAE,GAAG,CAAC,OAAO,CAAC,CACzF,EAAE,CAAC,CAAC;YACL,MAAM,CAAC,MAAM,CAAC,MAAM,CAAC,GAAG,EAAE,QAAQ,UAAA,EAAE,SAAS,WAAA,EAAE,CAAC;YAChD,cAAc,IAAI,SAAS,CAAC,MAAM,CAAC;SACtC;QAED,OAAO,MAAM,CAAC;IAClB,CAAC,CAAC;AACN,CAAC;AAED,SAAS,WAAW,CAAC,qBAAqC;IAC9C,IAAA,EAAE,GAA8B,qBAAqB,GAAnD,EAAE,MAAM,GAAsB,qBAAqB,OAA3C,EAAE,MAAM,GAAc,qBAAqB,OAAnC,EAAE,OAAO,GAAK,qBAAqB,QAA1B,CAA2B;IAC9D,IAAM,QAAQ,GAAG,IAAI,GAAG,EAAgB,CAAC;IAEzC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,qBAAqB,CAAC,SAAS,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAC/D,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,OAAO,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QACvE,IAAI,CAAC,cAAc,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,IAAI,CAAC,QAAQ,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;QAC1B,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;KAChC;IAED,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,eAAe,CAAC,YAAwB;IAC7C,IAAM,GAAG,GAAe,EAAE,CAAC;IAC3B,IAAM,SAAS,GAAa,EAAE,CAAC;IAC/B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,CAAC,MAAM,EAAE,CAAC,EAAE;QAAE,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC;IAChE,gBAAgB,CAAC,YAAY,EAAE,GAAG,EAAE,YAAY,CAAC,MAAM,GAAG,CAAC,EAAE,SAAS,CAAC,CAAC;IACxE,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,gBAAgB,CAAC,aAAyB,EAAE,IAAgB,EAAE,CAAS,EAAE,OAAiB;IAC/F,IAAI,CAAC,GAAG,CAAC,EAAE;QACP,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QACrC,OAAO;KACV;IAED,IAAM,GAAG,GAAG,aAAa,CAAC,CAAC,CAAC,EAAE,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC;IAC/C,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,EAAE,CAAC,EAAE,EAAE;QAC1B,OAAO,CAAC,CAAC,CAAC,GAAG,GAAG,CAAC,CAAC,CAAC,CAAC;QACpB,gBAAgB,CAAC,aAAa,EAAE,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE,OAAO,CAAC,CAAC;KACzD;AACL,CAAC;AAED,SAAS,oBAAoB,CAAC,QAAkB,EAAE,aAAyB,EAAE,UAAkB,EAAE,UAAkB;IAC/G,IAAM,SAAS,GAAuB,EAAE,CAAC;IAEzC,IAAI,KAAK,GAAG,UAAU,CAAC;IACvB,KAAiB,UAAa,EAAb,+BAAa,EAAb,2BAAa,EAAb,IAAa,EAAE;QAA3B,IAAM,EAAE,sBAAA;QACT,IAAM,CAAC,GAAG,IAAI,CAAC,QAAQ,EAAE,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YAChC,IAAI,CAAC,GAAG,CAAC,CAAC,EAAE,CAAC,EAAE,QAAQ,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,CAAE,CAAC,CAAC;SACxC;QACD,KAAK,EAAE,CAAC;QACR,SAAS,CAAC,SAAS,CAAC,MAAM,CAAC,GAAG,gBAAgB,CAAC,MAAM,CAAC,cAAO,KAAK,CAAE,EAAE,CAAC,EAAE,EAAE,QAAQ,EAAE,EAAE,EAAE,EAAE,UAAU,EAAE,MAAM,EAAE,KAAK,EAAE,QAAQ,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;KAC3I;IAED,OAAO,SAAS,CAAC;AACrB,CAAC;AAED,SAAS,iBAAiB,CAAC,KAAa;IACpC,0DAA0D;IAC1D,4BAA4B;IAE5B,IAAM,OAAO,GAAG,qBAAqB,EAAE,MAAM,GAAa,EAAE,EAAE,GAAG,GAAe,EAAE,CAAC;IAEnF,IAAI,CAAM,CAAC;IACX,OAAO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|
|
@@ -67,7 +67,7 @@ function getNcsOperators(struct_ncs_oper) {
|
|
|
67
67
|
if (struct_ncs_oper.code.value(i) === 'given' && !Mat3.isIdentity(m) && !Vec3.isZero(v))
|
|
68
68
|
continue;
|
|
69
69
|
var ncsId = id.value(i);
|
|
70
|
-
opers[opers.length] = SymmetryOperator.ofRotationAndOffset("ncs_"
|
|
70
|
+
opers[opers.length] = SymmetryOperator.ofRotationAndOffset("ncs_".concat(ncsId), m, v, ncsId);
|
|
71
71
|
}
|
|
72
72
|
return opers;
|
|
73
73
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/property/symmetry.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,OAAO,EAAE,YAAY,EAAE,MAAM,yCAAyC,CAAC;AACvE,OAAO,EAAE,UAAU,EAAE,cAAc,EAAE,gBAAgB,EAAE,MAAM,4BAA4B,CAAC;AAC1F,OAAO,EAAE,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,MAAM,kCAAkC,CAAC;AAEtE,OAAO,EAAE,gBAAgB,EAAE,MAAM,YAAY,CAAC;AAE9C,OAAO,EAAE,sBAAsB,EAAE,MAAM,oBAAoB,CAAC;AAG5D,OAAO,EAAE,aAAa,EAAE,CAAC;AAEzB,IAAU,aAAa,CA6BtB;AA7BD,WAAU,aAAa;IACN,wBAAU,GAA6B;QAChD,IAAI,EAAE,gBAAgB;KACzB,CAAC;IAEW,sBAAQ,GAAG,sBAAsB,CAAC,MAAM,CAAW,cAAA,UAAU,CAAC,CAAC;IAY5E,SAAgB,QAAQ,CAAC,IAAU;QAC/B,IAAM,UAAU,GAAG,gBAAgB,CAAC,IAAI,CAAC,oBAAoB,EAAE,IAAI,CAAC,wBAAwB,EAAE,IAAI,CAAC,qBAAqB,CAAC,CAAC;QAC1H,IAAM,UAAU,GAAG,aAAa,CAAC,IAAI,CAAC,QAAQ,EAAE,IAAI,CAAC,IAAI,CAAC,CAAC;QAC3D,IAAM,yBAAyB,GAAG,4BAA4B,CAAC,IAAI,CAAC,UAAU,EAAE,UAAU,CAAC,CAAC;QAC5F,OAAO,EAAE,UAAU,YAAA,EAAE,UAAU,YAAA,EAAE,yBAAyB,2BAAA,EAAE,YAAY,EAAE,eAAe,CAAC,IAAI,CAAC,eAAe,CAAC,EAAE,CAAC;IACtH,CAAC;IALe,sBAAQ,WAKvB,CAAA;IAED,SAAgB,QAAQ,CAAC,IAAU,EAAE,eAAqB;QACtD,IAAM,SAAS,GAAG,cAAc,CAAC,MAAM,CAAC,KAAK,EAAE,IAAI,EAAE,eAAe,CAAC,CAAC;QACtE,IAAM,UAAU,GAAG,UAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;QAChD,OAAO,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,YAAA,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAC5E,CAAC;IAJe,sBAAQ,WAIvB,CAAA;AACL,CAAC,EA7BS,aAAa,KAAb,aAAa,QA6BtB;AAED,SAAS,4BAA4B,CAAC,UAA6C,EAAE,UAAsB;IACvG,IAAI,UAAU,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC;IAC7C,0FAA0F;IAC1F,OAAO,KAAK,CAAC;AACjB,CAAC;AAED,SAAS,yBAAyB,CAAC,QAAyC;IACxE,IAAM,WAAW,GAAG,QAAQ,CAAC,mBAAmB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC3D,IAAM,SAAS,GAAG,QAAQ,CAAC,sBAAsB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC5D,IAAI,CAAC,QAAQ,CAAC,mBAAmB,CAAC,CAAC,SAAS;QAAE,OAAO,SAAS,CAAC;IAC/D,IAAI,CAAC,QAAQ,CAAC,sBAAsB,CAAC,CAAC,SAAS;QAAE,OAAO,WAAW,CAAC;IACpE,OAAO,SAAS,CAAC;AACrB,CAAC;AAED,SAAS,aAAa,CAAC,QAAyC,EAAE,IAAiC;IAC/F,IAAI,QAAQ,CAAC,SAAS,KAAK,CAAC,IAAI,IAAI,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,UAAU,CAAC,MAAM,CAAC;IAC/E,IAAM,YAAY,GAAG,yBAAyB,CAAC,QAAQ,CAAC,CAAC;IACzD,IAAM,SAAS,GAAG,cAAc,CAAC,MAAM,CAAC,YAAY,EAChD,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EACnF,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,EAAE,EAAE,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,GAAG,CAAC,CAAC,CAAC;IAEzI,OAAO,UAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;AACxC,CAAC;AAED,SAAS,eAAe,CAAC,eAAuD;IAC5E,IAAI,eAAe,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC,CAAC;IAC3C,IAAA,EAAE,GAAqB,eAAe,GAApC,EAAE,MAAM,GAAa,eAAe,OAA5B,EAAE,MAAM,GAAK,eAAe,OAApB,CAAqB;IAE/C,IAAM,WAAW,GAAG,YAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,EAAE,WAAW,GAAG,YAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,CAAC;IAEvH,IAAM,KAAK,GAAuB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,eAAe,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QAChD,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAI,CAAC,gBAAgB,CAAC,6BAA6B,CAAC,CAAC,EAAE,CAAC,CAAC;YAAE,SAAS;QACpE,4CAA4C;QAC5C,IAAI,eAAe,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,OAAO,IAAI,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC;YAAE,SAAS;QAClG,IAAM,KAAK,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAC1B,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,gBAAgB,CAAC,mBAAmB,CAAC,
|
|
1
|
+
{"version":3,"file":"symmetry.js","sourceRoot":"","sources":["../../../../src/mol-model-formats/structure/property/symmetry.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;AAEH,OAAO,EAAE,YAAY,EAAE,MAAM,yCAAyC,CAAC;AACvE,OAAO,EAAE,UAAU,EAAE,cAAc,EAAE,gBAAgB,EAAE,MAAM,4BAA4B,CAAC;AAC1F,OAAO,EAAE,MAAM,EAAE,IAAI,EAAE,IAAI,EAAE,MAAM,kCAAkC,CAAC;AAEtE,OAAO,EAAE,gBAAgB,EAAE,MAAM,YAAY,CAAC;AAE9C,OAAO,EAAE,sBAAsB,EAAE,MAAM,oBAAoB,CAAC;AAG5D,OAAO,EAAE,aAAa,EAAE,CAAC;AAEzB,IAAU,aAAa,CA6BtB;AA7BD,WAAU,aAAa;IACN,wBAAU,GAA6B;QAChD,IAAI,EAAE,gBAAgB;KACzB,CAAC;IAEW,sBAAQ,GAAG,sBAAsB,CAAC,MAAM,CAAW,cAAA,UAAU,CAAC,CAAC;IAY5E,SAAgB,QAAQ,CAAC,IAAU;QAC/B,IAAM,UAAU,GAAG,gBAAgB,CAAC,IAAI,CAAC,oBAAoB,EAAE,IAAI,CAAC,wBAAwB,EAAE,IAAI,CAAC,qBAAqB,CAAC,CAAC;QAC1H,IAAM,UAAU,GAAG,aAAa,CAAC,IAAI,CAAC,QAAQ,EAAE,IAAI,CAAC,IAAI,CAAC,CAAC;QAC3D,IAAM,yBAAyB,GAAG,4BAA4B,CAAC,IAAI,CAAC,UAAU,EAAE,UAAU,CAAC,CAAC;QAC5F,OAAO,EAAE,UAAU,YAAA,EAAE,UAAU,YAAA,EAAE,yBAAyB,2BAAA,EAAE,YAAY,EAAE,eAAe,CAAC,IAAI,CAAC,eAAe,CAAC,EAAE,CAAC;IACtH,CAAC;IALe,sBAAQ,WAKvB,CAAA;IAED,SAAgB,QAAQ,CAAC,IAAU,EAAE,eAAqB;QACtD,IAAM,SAAS,GAAG,cAAc,CAAC,MAAM,CAAC,KAAK,EAAE,IAAI,EAAE,eAAe,CAAC,CAAC;QACtE,IAAM,UAAU,GAAG,UAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;QAChD,OAAO,EAAE,UAAU,EAAE,EAAE,EAAE,UAAU,YAAA,EAAE,yBAAyB,EAAE,KAAK,EAAE,CAAC;IAC5E,CAAC;IAJe,sBAAQ,WAIvB,CAAA;AACL,CAAC,EA7BS,aAAa,KAAb,aAAa,QA6BtB;AAED,SAAS,4BAA4B,CAAC,UAA6C,EAAE,UAAsB;IACvG,IAAI,UAAU,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC;IAC7C,0FAA0F;IAC1F,OAAO,KAAK,CAAC;AACjB,CAAC;AAED,SAAS,yBAAyB,CAAC,QAAyC;IACxE,IAAM,WAAW,GAAG,QAAQ,CAAC,mBAAmB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC3D,IAAM,SAAS,GAAG,QAAQ,CAAC,sBAAsB,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;IAC5D,IAAI,CAAC,QAAQ,CAAC,mBAAmB,CAAC,CAAC,SAAS;QAAE,OAAO,SAAS,CAAC;IAC/D,IAAI,CAAC,QAAQ,CAAC,sBAAsB,CAAC,CAAC,SAAS;QAAE,OAAO,WAAW,CAAC;IACpE,OAAO,SAAS,CAAC;AACrB,CAAC;AAED,SAAS,aAAa,CAAC,QAAyC,EAAE,IAAiC;IAC/F,IAAI,QAAQ,CAAC,SAAS,KAAK,CAAC,IAAI,IAAI,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,UAAU,CAAC,MAAM,CAAC;IAC/E,IAAM,YAAY,GAAG,yBAAyB,CAAC,QAAQ,CAAC,CAAC;IACzD,IAAM,SAAS,GAAG,cAAc,CAAC,MAAM,CAAC,YAAY,EAChD,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EACnF,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,EAAE,EAAE,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,EAAE,GAAG,GAAG,CAAC,CAAC,CAAC;IAEzI,OAAO,UAAU,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;AACxC,CAAC;AAED,SAAS,eAAe,CAAC,eAAuD;IAC5E,IAAI,eAAe,CAAC,SAAS,KAAK,CAAC;QAAE,OAAO,KAAK,CAAC,CAAC;IAC3C,IAAA,EAAE,GAAqB,eAAe,GAApC,EAAE,MAAM,GAAa,eAAe,OAA5B,EAAE,MAAM,GAAK,eAAe,OAApB,CAAqB;IAE/C,IAAM,WAAW,GAAG,YAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,EAAE,WAAW,GAAG,YAAY,CAAC,eAAe,CAAC,MAAM,CAAC,KAAK,CAAC;IAEvH,IAAM,KAAK,GAAuB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,eAAe,CAAC,SAAS,EAAE,CAAC,EAAE,EAAE;QAChD,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAM,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,EAAE,EAAE,WAAW,EAAE,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;QAC9D,IAAI,CAAC,gBAAgB,CAAC,6BAA6B,CAAC,CAAC,EAAE,CAAC,CAAC;YAAE,SAAS;QACpE,4CAA4C;QAC5C,IAAI,eAAe,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,OAAO,IAAI,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC;YAAE,SAAS;QAClG,IAAM,KAAK,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;QAC1B,KAAK,CAAC,KAAK,CAAC,MAAM,CAAC,GAAG,gBAAgB,CAAC,mBAAmB,CAAC,cAAO,KAAK,CAAE,EAAE,CAAC,EAAE,CAAC,EAAE,KAAK,CAAC,CAAC;KAC3F;IACD,OAAO,KAAK,CAAC;AACjB,CAAC"}
|
|
@@ -29,7 +29,7 @@ function getTypedArrayCtor(header) {
|
|
|
29
29
|
case TypedArrayValueType.Int16: return Int16Array;
|
|
30
30
|
case TypedArrayValueType.Uint16: return Uint16Array;
|
|
31
31
|
}
|
|
32
|
-
throw Error(valueType
|
|
32
|
+
throw Error("".concat(valueType, " is not a supported value format."));
|
|
33
33
|
}
|
|
34
34
|
export function volumeFromCcp4(source, params) {
|
|
35
35
|
var _this = this;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"ccp4.js","sourceRoot":"","sources":["../../../src/mol-model-formats/volume/ccp4.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAGH,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,cAAc,EAAE,KAAK,EAAE,MAAM,yBAAyB,CAAC;AAChE,OAAO,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,+BAA+B,CAAC;AAE7D,OAAO,EAAE,QAAQ,EAAE,MAAM,qBAAqB,CAAC;AAC/C,OAAO,EAAE,gBAAgB,EAAE,MAAM,iCAAiC,CAAC;AACnE,OAAO,EAAE,mBAAmB,EAAE,MAAM,iCAAiC,CAAC;AACtE,OAAO,EAAE,QAAQ,EAAE,QAAQ,EAAE,SAAS,EAAE,QAAQ,EAAE,MAAM,sBAAsB,CAAC;AAE/E,OAAO,EAAE,gBAAgB,EAAE,MAAM,iCAAiC,CAAC;AAEnE,mFAAmF;AACnF,MAAM,UAAU,aAAa,CAAC,MAAkB;IAC5C,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,EAAE;QAC5E,OAAO,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,CAAC,CAAC;KACtE;SAAM;QACH,OAAO,IAAI,CAAC,MAAM,CACd,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,CAChD,CAAC;KACL;AACL,CAAC;AAED,SAAS,iBAAiB,CAAC,MAAkB;IACzC,IAAM,SAAS,GAAG,gBAAgB,CAAC,MAAM,CAAC,CAAC;IAC3C,QAAQ,SAAS,EAAE;QACf,KAAK,mBAAmB,CAAC,OAAO,CAAC,CAAC,OAAO,YAAY,CAAC;QACtD,KAAK,mBAAmB,CAAC,IAAI,CAAC,CAAC,OAAO,SAAS,CAAC;QAChD,KAAK,mBAAmB,CAAC,KAAK,CAAC,CAAC,OAAO,UAAU,CAAC;QAClD,KAAK,mBAAmB,CAAC,MAAM,CAAC,CAAC,OAAO,WAAW,CAAC;KACvD;IACD,MAAM,KAAK,
|
|
1
|
+
{"version":3,"file":"ccp4.js","sourceRoot":"","sources":["../../../src/mol-model-formats/volume/ccp4.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAGH,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,cAAc,EAAE,KAAK,EAAE,MAAM,yBAAyB,CAAC;AAChE,OAAO,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,+BAA+B,CAAC;AAE7D,OAAO,EAAE,QAAQ,EAAE,MAAM,qBAAqB,CAAC;AAC/C,OAAO,EAAE,gBAAgB,EAAE,MAAM,iCAAiC,CAAC;AACnE,OAAO,EAAE,mBAAmB,EAAE,MAAM,iCAAiC,CAAC;AACtE,OAAO,EAAE,QAAQ,EAAE,QAAQ,EAAE,SAAS,EAAE,QAAQ,EAAE,MAAM,sBAAsB,CAAC;AAE/E,OAAO,EAAE,gBAAgB,EAAE,MAAM,iCAAiC,CAAC;AAEnE,mFAAmF;AACnF,MAAM,UAAU,aAAa,CAAC,MAAkB;IAC5C,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,IAAI,MAAM,CAAC,OAAO,KAAK,GAAG,EAAE;QAC5E,OAAO,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,CAAC,CAAC;KACtE;SAAM;QACH,OAAO,IAAI,CAAC,MAAM,CACd,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,EAC7C,MAAM,CAAC,OAAO,GAAG,CAAC,MAAM,CAAC,OAAO,GAAG,MAAM,CAAC,EAAE,CAAC,CAChD,CAAC;KACL;AACL,CAAC;AAED,SAAS,iBAAiB,CAAC,MAAkB;IACzC,IAAM,SAAS,GAAG,gBAAgB,CAAC,MAAM,CAAC,CAAC;IAC3C,QAAQ,SAAS,EAAE;QACf,KAAK,mBAAmB,CAAC,OAAO,CAAC,CAAC,OAAO,YAAY,CAAC;QACtD,KAAK,mBAAmB,CAAC,IAAI,CAAC,CAAC,OAAO,SAAS,CAAC;QAChD,KAAK,mBAAmB,CAAC,KAAK,CAAC,CAAC,OAAO,UAAU,CAAC;QAClD,KAAK,mBAAmB,CAAC,MAAM,CAAC,CAAC,OAAO,WAAW,CAAC;KACvD;IACD,MAAM,KAAK,CAAC,UAAG,SAAS,sCAAmC,CAAC,CAAC;AACjE,CAAC;AAED,MAAM,UAAU,cAAc,CAAC,MAAgB,EAAE,MAA8E;IAA/H,iBAiDC;IAhDG,OAAO,IAAI,CAAC,MAAM,CAAS,eAAe,EAAE,UAAM,GAAG;;;YACzC,MAAM,GAAa,MAAM,OAAnB,EAAE,MAAM,GAAK,MAAM,OAAX,CAAY;YAC5B,IAAI,GAAG,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,EAAE,MAAM,CAAC,OAAO,CAAC,CAAC;YACzE,IAAI,MAAM,IAAI,MAAM,CAAC,SAAS;gBAAE,IAAI,CAAC,GAAG,CAAC,IAAI,EAAE,IAAI,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC;YACjE,MAAM,GAAG,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,EAAE,QAAQ,CAAC,MAAM,CAAC,IAAI,CAAC,EAAE,QAAQ,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC;YAC5F,UAAU,GAAG,MAAM,CAAC,IAAI,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI,CAAC;YACnD,IAAI,GAAG,cAAc,CAAC,MAAM,CAAC,UAAU,IAAI,KAAK,EAAE,IAAI,EAAE,MAAM,CAAC,CAAC;YAEhE,uBAAuB,GAAG,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,IAAI,GAAG,CAAC,EAAE,MAAM,CAAC,IAAI,GAAG,CAAC,EAAE,MAAM,CAAC,IAAI,GAAG,CAAC,CAAC,CAAC;YACzF,cAAc,GAAG,MAAM,CAAC,uCAAuC,CAAC,uBAAuB,CAAC,CAAC;YAEzF,IAAI,GAAG,CAAC,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,CAAC,CAAC;YACzC,MAAM,GAAG,cAAc,CAAC,CAAC,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,EAAE,MAAM,CAAC,EAAE,CAAC,CAAC,CAAC;YAC3D,MAAM,GAAG,aAAa,CAAC,MAAM,CAAC,CAAC;YACrC,IAAI,MAAM,aAAN,MAAM,uBAAN,MAAM,CAAE,MAAM;gBAAE,IAAI,CAAC,GAAG,CAAC,MAAM,EAAE,MAAM,EAAE,MAAM,CAAC,MAAM,CAAC,CAAC;YACtD,UAAU,GAAG,cAAc,CAAC,MAAM,CAAC,CAAC;YAEpC,WAAW,GAAG,IAAI,CAAC,MAAM,CAAC,UAAU,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,UAAU,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,UAAU,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;YACrG,eAAe,GAAG,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;YAE7F,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,MAAM,EAAE,MAAM,CAAC,eAAe,CAAC,uBAAuB,CAAC,EAAE,iBAAiB,CAAC,MAAM,CAAC,CAAC,CAAC;YACzG,IAAI,GAAG,MAAM,CAAC,MAAM,CAAC,KAAK,EAAE,MAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC;YAOlD,SAAS,GAAG,MAAM,CAAC,IAAI,KAAK,CAAC,IAAI,MAAM,CAAC,IAAI,KAAK,CAAC,IAAI,MAAM,CAAC,KAAK,KAAK,CAAC,IAAI,MAAM,CAAC,IAAI,KAAK,CAAC,CAAC;YAEpG,sBAAO;oBACH,KAAK,EAAE,MAAM,aAAN,MAAM,uBAAN,MAAM,CAAE,KAAK;oBACpB,OAAO,EAAE,MAAM,aAAN,MAAM,uBAAN,MAAM,CAAE,OAAO;oBACxB,IAAI,EAAE;wBACF,SAAS,EAAE,EAAE,IAAI,EAAE,YAAY,EAAE,IAAI,MAAA,EAAE,aAAa,EAAE,KAAK,CAAC,MAAM,CAAC,WAAW,EAAE,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,IAAI,EAAE,EAAE,WAAW,EAAE,eAAe,CAAC,CAAC,EAAE;wBACtI,KAAK,EAAE,IAAI;wBACX,KAAK,EAAE;4BACH,GAAG,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI;4BACvE,GAAG,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI;4BACvE,IAAI,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,KAAK,CAAC,IAAI,SAAS,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,KAAK;4BAC3E,KAAK,EAAE,CAAC,KAAK,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,MAAM,CAAC,IAAI,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,IAAI;yBACpF;qBACJ;oBACD,UAAU,EAAE,UAAU,CAAC,MAAM,CAAC,MAAM,CAAC;oBACrC,gBAAgB,EAAE,IAAI,gBAAgB,EAAE;oBACxC,aAAa,EAAE,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC;iBACrC,EAAC;;SACL,CAAC,CAAC;AACP,CAAC;AAED,EAAE;AAEF,OAAO,EAAE,UAAU,EAAE,CAAC;AAItB,IAAU,UAAU,CAQnB;AARD,WAAU,UAAU;IAChB,SAAgB,EAAE,CAAC,CAAe;QAC9B,OAAO,CAAA,CAAC,aAAD,CAAC,uBAAD,CAAC,CAAE,IAAI,MAAK,MAAM,CAAC;IAC9B,CAAC;IAFe,aAAE,KAEjB,CAAA;IAED,SAAgB,MAAM,CAAC,IAAc;QACjC,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,IAAI,CAAC,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,CAAC;IACzD,CAAC;IAFe,iBAAM,SAErB,CAAA;AACL,CAAC,EARS,UAAU,KAAV,UAAU,QAQnB"}
|
|
@@ -68,7 +68,7 @@ var CustomElementProperty;
|
|
|
68
68
|
color: color,
|
|
69
69
|
props: props,
|
|
70
70
|
contextHash: contextHash,
|
|
71
|
-
description: "Assign element colors based on '"
|
|
71
|
+
description: "Assign element colors based on '".concat(modelProperty.label, "' data.")
|
|
72
72
|
};
|
|
73
73
|
}
|
|
74
74
|
return {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"custom-element-property.js","sourceRoot":"","sources":["../../../src/mol-model-props/common/custom-element-property.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;;AAGH,OAAO,EAAE,gBAAgB,EAAE,MAAM,qCAAqC,CAAC;AAMvE,OAAO,EAAE,UAAU,EAAE,MAAM,oBAAoB,CAAC;AAChD,OAAO,EAAE,mBAAmB,EAAE,MAAM,yBAAyB,CAAC;AAG9D,OAAO,EAAE,wBAAwB,EAAE,MAAM,iCAAiC,CAAC;AAE3E,OAAO,EAAE,qBAAqB,EAAE,CAAC;AAQjC,IAAU,qBAAqB,CAwG9B;AAxGD,WAAU,qBAAqB;IAiB3B,SAAgB,MAAM,CAAI,OAAmB;;QACzC,IAAM,aAAa,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC;QACnD,OAAO;YACH,gBAAgB,EAAE,aAAa;YAC/B,kBAAkB,EAAE,CAAA,MAAA,OAAO,CAAC,QAAQ,0CAAE,QAAQ,KAAI,wBAAwB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC,QAAQ,EAAE,OAAO,CAAC,QAAQ,CAAC,YAAY,CAAC;YACnJ,aAAa,EAAE,OAAO,CAAC,QAAQ,IAAI,mBAAmB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC;SAC1F,CAAC;IACN,CAAC;IAPe,4BAAM,SAOrB,CAAA;IAED,SAAS,mBAAmB,CAAI,OAAmB;QAAnD,iBAcC;QAbG,OAAO,mBAAmB,CAAC,cAAc,CAAC;YACtC,KAAK,EAAE,OAAO,CAAC,KAAK;YACpB,UAAU,EAAE,wBAAwB,CAAC;gBACjC,IAAI,EAAE,OAAO,CAAC,IAAI;aACrB,CAAC;YACF,IAAI,EAAE,OAAO,CAAC,IAAI,IAAI,SAAS;YAC/B,aAAa,EAAE,EAAE;YACjB,SAAS,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,EAAE,CAAC,EAAJ,CAAI;YAChC,YAAY,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,OAAO,CAAC,YAAY,IAAI,CAAC,CAAC,OAAO,CAAC,YAAY,CAAC,IAAI,CAAC,EAArD,CAAqD;YACpF,MAAM,EAAE,UAAO,GAA2B,EAAE,IAAW;;;gCAC5C,qBAAM,OAAO,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,EAAA;gCAAvC,sBAAO,SAAgC,EAAC;;;iBAC3C;SACJ,CAAC,CAAC;IACP,CAAC;IAED,SAAS,wBAAwB,CAAI,aAAyD,EAAE,QAAyB,EAAE,YAAmB;QAE1I,SAAS,QAAQ,CAAC,GAAqB,EAAE,KAAS;YAC9C,IAAI,KAAoB,CAAC;YAEzB,IAAM,QAAQ,GAAG,GAAG,CAAC,SAAS,IAAI,aAAa,CAAC,GAAG,CAAC,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;YAC7E,IAAM,WAAW,GAAG,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,OAAO,CAAC;YAEtC,IAAI,CAAA,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,KAAK,KAAI,GAAG,CAAC,SAAS,EAAE;gBAClC,IAAM,MAAI,GAAG,QAAQ,CAAC,KAAK,CAAC;gBAC5B,KAAK,GAAG,UAAC,QAAkB;oBACvB,IAAI,gBAAgB,CAAC,QAAQ,CAAC,EAAE,CAAC,QAAQ,CAAC,EAAE;wBACxC,IAAM,CAAC,GAAG,MAAI,CAAC,GAAG,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC;wBACrC,IAAI,OAAO,CAAC,KAAK,WAAW;4BAAE,OAAO,QAAQ,CAAC,CAAC,CAAC,CAAC;qBACpD;oBACD,OAAO,YAAY,CAAC;gBACxB,CAAC,CAAC;aACL;iBAAM;gBACH,KAAK,GAAG,cAAM,OAAA,YAAY,EAAZ,CAAY,CAAC;aAC9B;YAED,OAAO;gBACH,OAAO,EAAE,QAAQ;gBACjB,WAAW,EAAE,OAAO;gBACpB,KAAK,EAAE,KAAK;gBACZ,KAAK,EAAE,KAAK;gBACZ,WAAW,aAAA;gBACX,WAAW,EAAE,
|
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1
|
+
{"version":3,"file":"custom-element-property.js","sourceRoot":"","sources":["../../../src/mol-model-props/common/custom-element-property.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;;AAGH,OAAO,EAAE,gBAAgB,EAAE,MAAM,qCAAqC,CAAC;AAMvE,OAAO,EAAE,UAAU,EAAE,MAAM,oBAAoB,CAAC;AAChD,OAAO,EAAE,mBAAmB,EAAE,MAAM,yBAAyB,CAAC;AAG9D,OAAO,EAAE,wBAAwB,EAAE,MAAM,iCAAiC,CAAC;AAE3E,OAAO,EAAE,qBAAqB,EAAE,CAAC;AAQjC,IAAU,qBAAqB,CAwG9B;AAxGD,WAAU,qBAAqB;IAiB3B,SAAgB,MAAM,CAAI,OAAmB;;QACzC,IAAM,aAAa,GAAG,mBAAmB,CAAC,OAAO,CAAC,CAAC;QACnD,OAAO;YACH,gBAAgB,EAAE,aAAa;YAC/B,kBAAkB,EAAE,CAAA,MAAA,OAAO,CAAC,QAAQ,0CAAE,QAAQ,KAAI,wBAAwB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC,QAAQ,EAAE,OAAO,CAAC,QAAQ,CAAC,YAAY,CAAC;YACnJ,aAAa,EAAE,OAAO,CAAC,QAAQ,IAAI,mBAAmB,CAAC,aAAa,EAAE,OAAO,CAAC,QAAQ,CAAC;SAC1F,CAAC;IACN,CAAC;IAPe,4BAAM,SAOrB,CAAA;IAED,SAAS,mBAAmB,CAAI,OAAmB;QAAnD,iBAcC;QAbG,OAAO,mBAAmB,CAAC,cAAc,CAAC;YACtC,KAAK,EAAE,OAAO,CAAC,KAAK;YACpB,UAAU,EAAE,wBAAwB,CAAC;gBACjC,IAAI,EAAE,OAAO,CAAC,IAAI;aACrB,CAAC;YACF,IAAI,EAAE,OAAO,CAAC,IAAI,IAAI,SAAS;YAC/B,aAAa,EAAE,EAAE;YACjB,SAAS,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,EAAE,CAAC,EAAJ,CAAI;YAChC,YAAY,EAAE,UAAC,IAAW,IAAK,OAAA,CAAC,OAAO,CAAC,YAAY,IAAI,CAAC,CAAC,OAAO,CAAC,YAAY,CAAC,IAAI,CAAC,EAArD,CAAqD;YACpF,MAAM,EAAE,UAAO,GAA2B,EAAE,IAAW;;;gCAC5C,qBAAM,OAAO,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,EAAA;gCAAvC,sBAAO,SAAgC,EAAC;;;iBAC3C;SACJ,CAAC,CAAC;IACP,CAAC;IAED,SAAS,wBAAwB,CAAI,aAAyD,EAAE,QAAyB,EAAE,YAAmB;QAE1I,SAAS,QAAQ,CAAC,GAAqB,EAAE,KAAS;YAC9C,IAAI,KAAoB,CAAC;YAEzB,IAAM,QAAQ,GAAG,GAAG,CAAC,SAAS,IAAI,aAAa,CAAC,GAAG,CAAC,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;YAC7E,IAAM,WAAW,GAAG,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,OAAO,CAAC;YAEtC,IAAI,CAAA,QAAQ,aAAR,QAAQ,uBAAR,QAAQ,CAAE,KAAK,KAAI,GAAG,CAAC,SAAS,EAAE;gBAClC,IAAM,MAAI,GAAG,QAAQ,CAAC,KAAK,CAAC;gBAC5B,KAAK,GAAG,UAAC,QAAkB;oBACvB,IAAI,gBAAgB,CAAC,QAAQ,CAAC,EAAE,CAAC,QAAQ,CAAC,EAAE;wBACxC,IAAM,CAAC,GAAG,MAAI,CAAC,GAAG,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC;wBACrC,IAAI,OAAO,CAAC,KAAK,WAAW;4BAAE,OAAO,QAAQ,CAAC,CAAC,CAAC,CAAC;qBACpD;oBACD,OAAO,YAAY,CAAC;gBACxB,CAAC,CAAC;aACL;iBAAM;gBACH,KAAK,GAAG,cAAM,OAAA,YAAY,EAAZ,CAAY,CAAC;aAC9B;YAED,OAAO;gBACH,OAAO,EAAE,QAAQ;gBACjB,WAAW,EAAE,OAAO;gBACpB,KAAK,EAAE,KAAK;gBACZ,KAAK,EAAE,KAAK;gBACZ,WAAW,aAAA;gBACX,WAAW,EAAE,0CAAmC,aAAa,CAAC,KAAK,YAAS;aAC/E,CAAC;QACN,CAAC;QAED,OAAO;YACH,IAAI,EAAE,aAAa,CAAC,UAAU,CAAC,IAAI;YACnC,KAAK,EAAE,aAAa,CAAC,KAAK;YAC1B,QAAQ,EAAE,QAAQ;YAClB,OAAO,EAAE,QAAQ;YACjB,SAAS,EAAE,cAAM,OAAA,CAAC,EAAE,CAAC,EAAJ,CAAI;YACrB,aAAa,EAAE,EAAE;YACjB,YAAY,EAAE,UAAC,GAAqB,IAAK,OAAA,CAAC,CAAC,GAAG,CAAC,SAAS,IAAI,CAAC,CAAC,aAAa,CAAC,GAAG,CAAC,GAAG,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,EAArE,CAAqE;YAC9G,sBAAsB,EAAE;gBACpB,MAAM,EAAE,UAAC,GAA2B,EAAE,IAAsB,IAAK,OAAA,IAAI,CAAC,SAAS,CAAC,CAAC,CAAC,aAAa,CAAC,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,KAAK,CAAC,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,OAAO,EAAE,EAAtG,CAAsG;gBACvK,MAAM,EAAE,UAAC,IAAsB,IAAK,OAAA,IAAI,CAAC,SAAS,IAAI,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,gBAAgB,CAAC,SAAS,CAAC,aAAa,CAAC,UAAU,EAAE,KAAK,CAAC,EAAtG,CAAsG;aAC7I;SACJ,CAAC;IACN,CAAC;IAED,SAAS,mBAAmB,CAAI,aAAyD,EAAE,QAAsC;QAC7H,OAAO;YACH,KAAK,EAAE,UAAC,IAAU;gBACd,IAAI,IAAI,CAAC,IAAI,KAAK,cAAc,EAAE;oBAC9B,IAAM,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;oBAC3B,IAAI,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,gBAAgB,CAAC,YAAY,CAAC,aAAa,CAAC,UAAU,CAAC;wBAAE,OAAO;oBACxF,IAAM,IAAI,GAAG,aAAa,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,KAAK,CAAC;oBACnD,IAAM,OAAO,GAAG,CAAC,CAAC,IAAI,CAAC,QAAQ,CAAC,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC;oBAC7D,IAAM,KAAK,GAAG,IAAI,aAAJ,IAAI,uBAAJ,IAAI,CAAE,GAAG,CAAC,OAAO,CAAC,CAAC;oBACjC,IAAI,KAAK,KAAK,SAAS;wBAAE,OAAO;oBAChC,OAAO,QAAQ,CAAC,KAAK,CAAC,CAAC;iBAC1B;gBACD,OAAO;YACX,CAAC;SACJ,CAAC;IACN,CAAC;AACL,CAAC,EAxGS,qBAAqB,KAArB,qBAAqB,QAwG9B"}
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@@ -48,7 +48,7 @@ var CustomProperty;
|
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|
48
48
|
Registry.prototype.get = function (name) {
|
|
49
49
|
var prop = this.providers.get(name);
|
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50
|
if (!prop) {
|
|
51
|
-
throw new Error("Custom property '"
|
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|
+
throw new Error("Custom property '".concat(name, "' is not registered."));
|
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}
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|
return this.providers.get(name);
|
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|
};
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@@ -1 +1 @@
|
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|
1
|
-
{"version":3,"file":"custom-property.js","sourceRoot":"","sources":["../../../src/mol-model-props/common/custom-property.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAIH,OAAO,EAAE,eAAe,IAAI,EAAE,EAAE,MAAM,iCAAiC,CAAC;AAExE,OAAO,EAAE,UAAU,EAAE,MAAM,WAAW,CAAC;AAGvC,OAAO,EAAE,cAAc,EAAE,CAAC;AAE1B,IAAU,cAAc,CAsFvB;AAtFD,WAAU,cAAc;IA4BpB;QAAA;YACY,cAAS,GAAG,UAAU,EAAoC,CAAC,SAAS,EAAE,CAAA;YACtE,4BAAuB,GAAG,IAAI,GAAG,EAAmB,CAAA;QAuDhE,CAAC;QArDG,uDAAuD;QACvD,4BAAS,GAAT,UAAU,IAAW;YACjB,IAAM,gBAAgB,GAAc,EAAE,CAAC;YACvC,IAAM,iBAAiB,GAAuB,EAAE,CAAC;YACjD,IAAM,iBAAiB,GAAa,EAAE,CAAC;YACvC,IAAI,IAAI,EAAE;gBACN,IAAM,MAAM,GAAG,IAAI,CAAC,SAAS,CAAC,MAAM,EAAE,CAAC;gBACvC,OAAO,IAAI,EAAE;oBACT,IAAM,CAAC,GAAG,MAAM,CAAC,IAAI,EAAE,CAAC;oBACxB,IAAI,CAAC,CAAC,IAAI;wBAAE,MAAM;oBAElB,IAAM,QAAQ,GAAG,CAAC,CAAC,KAAK,CAAC;oBACzB,IAAI,CAAC,QAAQ,CAAC,YAAY,CAAC,IAAI,CAAC;wBAAE,SAAS;oBAE3C,IAAI,CAAC,QAAQ,CAAC,QAAQ,EAAE;wBACpB,iBAAiB,CAAC,IAAI,CAAC,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC;wBACnE,IAAI,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,EAAE;4BAC5D,iBAAiB,CAAC,IAAI,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC;yBACpD;qBACJ;oBAED,gBAAgB,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,GAAG,EAAE,CAAC,KAAK,cAC9C,QAAQ,CAAC,SAAS,CAAC,IAAI,CAAC,GAC5B,EAAE,KAAK,EAAE,QAAQ,CAAC,KAAK,EAAE,QAAQ,EAAE,QAAQ,CAAC,QAAQ,EAAE,CAAC,CAAC;iBAC9D;aACJ;YACD,OAAO;gBACH,UAAU,EAAE,EAAE,CAAC,WAAW,CAAC,iBAAiB,EAAE,iBAAiB,CAAC;gBAChE,UAAU,EAAE,EAAE,CAAC,KAAK,CAAC,gBAAgB,EAAE,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;aAC3D,CAAC;QACN,CAAC;QAED,uCAAoB,GAApB,UAAqB,IAAY,EAAE,KAAc;YAC7C,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;QAClD,CAAC;QAED,sBAAG,GAAH,UAAI,IAAY;YACZ,IAAM,IAAI,GAAG,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;YACtC,IAAI,CAAC,IAAI,EAAE;gBACP,MAAM,IAAI,KAAK,CAAC,
|
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1
|
+
{"version":3,"file":"custom-property.js","sourceRoot":"","sources":["../../../src/mol-model-props/common/custom-property.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAIH,OAAO,EAAE,eAAe,IAAI,EAAE,EAAE,MAAM,iCAAiC,CAAC;AAExE,OAAO,EAAE,UAAU,EAAE,MAAM,WAAW,CAAC;AAGvC,OAAO,EAAE,cAAc,EAAE,CAAC;AAE1B,IAAU,cAAc,CAsFvB;AAtFD,WAAU,cAAc;IA4BpB;QAAA;YACY,cAAS,GAAG,UAAU,EAAoC,CAAC,SAAS,EAAE,CAAA;YACtE,4BAAuB,GAAG,IAAI,GAAG,EAAmB,CAAA;QAuDhE,CAAC;QArDG,uDAAuD;QACvD,4BAAS,GAAT,UAAU,IAAW;YACjB,IAAM,gBAAgB,GAAc,EAAE,CAAC;YACvC,IAAM,iBAAiB,GAAuB,EAAE,CAAC;YACjD,IAAM,iBAAiB,GAAa,EAAE,CAAC;YACvC,IAAI,IAAI,EAAE;gBACN,IAAM,MAAM,GAAG,IAAI,CAAC,SAAS,CAAC,MAAM,EAAE,CAAC;gBACvC,OAAO,IAAI,EAAE;oBACT,IAAM,CAAC,GAAG,MAAM,CAAC,IAAI,EAAE,CAAC;oBACxB,IAAI,CAAC,CAAC,IAAI;wBAAE,MAAM;oBAElB,IAAM,QAAQ,GAAG,CAAC,CAAC,KAAK,CAAC;oBACzB,IAAI,CAAC,QAAQ,CAAC,YAAY,CAAC,IAAI,CAAC;wBAAE,SAAS;oBAE3C,IAAI,CAAC,QAAQ,CAAC,QAAQ,EAAE;wBACpB,iBAAiB,CAAC,IAAI,CAAC,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,QAAQ,CAAC,KAAK,CAAC,CAAC,CAAC;wBACnE,IAAI,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,EAAE;4BAC5D,iBAAiB,CAAC,IAAI,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC;yBACpD;qBACJ;oBAED,gBAAgB,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,CAAC,GAAG,EAAE,CAAC,KAAK,cAC9C,QAAQ,CAAC,SAAS,CAAC,IAAI,CAAC,GAC5B,EAAE,KAAK,EAAE,QAAQ,CAAC,KAAK,EAAE,QAAQ,EAAE,QAAQ,CAAC,QAAQ,EAAE,CAAC,CAAC;iBAC9D;aACJ;YACD,OAAO;gBACH,UAAU,EAAE,EAAE,CAAC,WAAW,CAAC,iBAAiB,EAAE,iBAAiB,CAAC;gBAChE,UAAU,EAAE,EAAE,CAAC,KAAK,CAAC,gBAAgB,EAAE,EAAE,MAAM,EAAE,IAAI,EAAE,CAAC;aAC3D,CAAC;QACN,CAAC;QAED,uCAAoB,GAApB,UAAqB,IAAY,EAAE,KAAc;YAC7C,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,CAAC,CAAC;QAClD,CAAC;QAED,sBAAG,GAAH,UAAI,IAAY;YACZ,IAAM,IAAI,GAAG,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;YACtC,IAAI,CAAC,IAAI,EAAE;gBACP,MAAM,IAAI,KAAK,CAAC,2BAAoB,IAAI,yBAAsB,CAAC,CAAC;aACnE;YACD,OAAO,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;QACpC,CAAC;QAED,2BAAQ,GAAR,UAAS,QAAkC,EAAE,iBAA0B;YACnE,IAAI,CAAC,SAAS,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,QAAQ,CAAC,CAAC;YACvD,IAAI,CAAC,uBAAuB,CAAC,GAAG,CAAC,QAAQ,CAAC,UAAU,CAAC,IAAI,EAAE,iBAAiB,CAAC,CAAC;QAClF,CAAC;QAED,6BAAU,GAAV,UAAW,IAAY;YACnB,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;YAC5B,IAAI,CAAC,uBAAuB,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;QAC9C,CAAC;QACL,eAAC;IAAD,CAAC,AAzDD,IAyDC;IAzDY,uBAAQ,WAyDpB,CAAA;AACL,CAAC,EAtFS,cAAc,KAAd,cAAc,QAsFvB"}
|
|
@@ -91,7 +91,7 @@ var InteractionsInterContacts = /** @class */ (function (_super) {
|
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|
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91
|
return this.elementKeyIndex.get(this.getElementKey(index, unit.id)) || [];
|
|
92
92
|
};
|
|
93
93
|
InteractionsInterContacts.prototype.getElementKey = function (index, unitId) {
|
|
94
|
-
return index
|
|
94
|
+
return "".concat(index, "|").concat(unitId);
|
|
95
95
|
};
|
|
96
96
|
return InteractionsInterContacts;
|
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97
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|
}(InterUnitGraph));
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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|
@@ -82,8 +82,8 @@ function hydrophobicRefiner(structure, interactions) {
|
|
|
82
82
|
var elementB = infoB.members[infoB.offsets[infoB.feature]];
|
|
83
83
|
var residueA = infoA.unit.getResidueIndex(elementA);
|
|
84
84
|
var residueB = infoB.unit.getResidueIndex(elementB);
|
|
85
|
-
var keyA = elementA
|
|
86
|
-
var keyB = elementB
|
|
85
|
+
var keyA = "".concat(elementA, "|").concat(infoA.unit.id, "|").concat(residueB, "|").concat(infoB.unit.id, "|A");
|
|
86
|
+
var keyB = "".concat(elementB, "|").concat(infoB.unit.id, "|").concat(residueA, "|").concat(infoA.unit.id, "|B");
|
|
87
87
|
var dist = Features.distance(infoA, infoB);
|
|
88
88
|
handleResidueContact(dist, edge, keyA, map, set);
|
|
89
89
|
handleResidueContact(dist, edge, keyB, map, set);
|