molstar 2.3.5 → 2.3.9
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +20 -20
- package/README.md +176 -176
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +94 -94
- package/build/viewer/molstar.css +1 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.d.ts +290 -1
- package/lib/apps/viewer/index.html +94 -94
- package/lib/apps/viewer/index.js +91 -5
- package/lib/apps/viewer/index.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/cli/chem-comp-dict/util.js +2 -2
- package/lib/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/cli/cif2bcif/converter.js +2 -2
- package/lib/cli/cif2bcif/converter.js.map +1 -1
- package/lib/cli/cifschema/index.js +12 -12
- package/lib/cli/cifschema/index.js.map +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/cli/cifschema/util/generate.js +21 -21
- package/lib/cli/cifschema/util/generate.js.map +1 -1
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/cli/cifschema/util/schema.js.map +1 -1
- package/lib/cli/lipid-params/index.js +3 -3
- package/lib/cli/lipid-params/index.js.map +1 -1
- package/lib/cli/state-docs/index.js +4 -4
- package/lib/cli/state-docs/index.js.map +1 -1
- package/lib/cli/state-docs/pd-to-md.js +10 -10
- package/lib/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/cli/structure-info/model.js +18 -18
- package/lib/cli/structure-info/model.js.map +1 -1
- package/lib/cli/structure-info/volume.js +1 -1
- package/lib/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
- package/lib/commonjs/apps/viewer/index.d.ts +289 -0
- package/lib/commonjs/apps/viewer/index.js +91 -5
- package/lib/commonjs/apps/viewer/index.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +3 -3
- package/lib/commonjs/cli/chem-comp-dict/create-table.js.map +1 -1
- package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
- package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/index.js +0 -0
- package/lib/commonjs/cli/cifschema/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
- package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +3 -3
- package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/index.js +4 -4
- package/lib/commonjs/cli/state-docs/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
- package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/commonjs/cli/structure-info/model.js +18 -18
- package/lib/commonjs/cli/structure-info/model.js.map +1 -1
- package/lib/commonjs/cli/structure-info/volume.js +1 -1
- package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
- package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/examples/task.js.map +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
- package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
- package/lib/commonjs/extensions/cellpack/curve.js +2 -2
- package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
- package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
- package/lib/commonjs/extensions/cellpack/model.js +203 -65
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
- package/lib/commonjs/extensions/cellpack/preset.js +12 -15
- package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/property.js +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
- package/lib/commonjs/extensions/cellpack/representation.js +47 -0
- package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
- package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
- package/lib/commonjs/extensions/cellpack/state.js +234 -27
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
- package/lib/commonjs/extensions/cellpack/util.js +34 -6
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
- package/lib/commonjs/extensions/g3d/data.js +2 -2
- package/lib/commonjs/extensions/g3d/data.js.map +1 -1
- package/lib/commonjs/extensions/g3d/model.js +2 -2
- package/lib/commonjs/extensions/g3d/model.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/controls.js +2 -2
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
- package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +4 -4
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +7 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +11 -11
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +15 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +2 -2
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +4 -4
- package/lib/commonjs/mol-canvas3d/canvas3d.js +3 -3
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +1 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db/table.js.map +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
- package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
- package/lib/commonjs/mol-data/int/tuple.js +1 -1
- package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +1 -0
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
- package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
- package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +7 -45
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
- package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +2 -2
- package/lib/commonjs/mol-gl/scene.js +1 -1
- package/lib/commonjs/mol-gl/scene.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +8 -8
- package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
- package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
- package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +6 -4
- package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/extensions.js +5 -1
- package/lib/commonjs/mol-gl/webgl/extensions.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +14 -12
- package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js +2 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/shader.js +3 -3
- package/lib/commonjs/mol-gl/webgl/shader.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/state.d.ts +4 -1
- package/lib/commonjs/mol-gl/webgl/state.js +25 -1
- package/lib/commonjs/mol-gl/webgl/state.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/texture.js +2 -2
- package/lib/commonjs/mol-gl/webgl/texture.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/uniform.js +2 -2
- package/lib/commonjs/mol-gl/webgl/uniform.js.map +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js +1 -1
- package/lib/commonjs/mol-io/common/file-handle.js.map +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js +1 -1
- package/lib/commonjs/mol-io/common/typed-array.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/ccp4/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/binary/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/data-model.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/data-model.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +12 -12
- package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
- package/lib/commonjs/mol-io/reader/cif/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/text/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/text/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/dcd/parser.js +2 -2
- package/lib/commonjs/mol-io/reader/dcd/parser.js.map +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js +1 -1
- package/lib/commonjs/mol-io/reader/ply/schema.js.map +1 -1
- package/lib/commonjs/mol-io/reader/result.js +1 -1
- package/lib/commonjs/mol-io/reader/result.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js +3 -3
- package/lib/commonjs/mol-io/writer/cif/encoder/text.js.map +1 -1
- package/lib/commonjs/mol-io/writer/cif/encoder.js +5 -5
- package/lib/commonjs/mol-io/writer/cif/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol/encoder.js +4 -4
- package/lib/commonjs/mol-io/writer/mol/encoder.js.map +1 -1
- package/lib/commonjs/mol-io/writer/mol2/encoder.js +6 -6
- package/lib/commonjs/mol-io/writer/mol2/encoder.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js +9 -2
- package/lib/commonjs/mol-math/geometry/primitives/axes3d.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js +8 -8
- package/lib/commonjs/mol-math/geometry/spacegroup/construction.js.map +1 -1
- package/lib/commonjs/mol-math/geometry/spacegroup/tables.js +1 -1
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+
{"version":3,"file":"parser.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/ccp4/parser.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,8CAAyD;AAEzD,oCAAmD;AACnD,wDAAsD;AACtD,sEAAoE;AACpE,kEAAqK;AAErK,SAAsB,cAAc,CAAC,IAAgB;;;;;;oBAC3C,UAAU,GAAG,IAAI,CAAC;oBACL,qBAAM,IAAI,CAAC,UAAU,CAAC,CAAC,EAAE,UAAU,CAAC,EAAA;;oBAA/C,MAAM,GAAK,CAAA,SAAoC,CAAA,OAAzC;oBAGR,GAAG,GAAG,MAAM,CAAC,YAAY,CAC3B,MAAM,CAAC,SAAS,CAAC,EAAE,GAAG,CAAC,CAAC,EAAE,MAAM,CAAC,SAAS,CAAC,EAAE,GAAG,CAAC,GAAG,CAAC,CAAC,EACtD,MAAM,CAAC,SAAS,CAAC,EAAE,GAAG,CAAC,GAAG,CAAC,CAAC,EAAE,MAAM,CAAC,SAAS,CAAC,EAAE,GAAG,CAAC,GAAG,CAAC,CAAC,CAC7D,CAAC;oBACF,IAAI,GAAG,KAAK,MAAM,EAAE;wBAChB,MAAM,IAAI,KAAK,CAAC,0CAA0C,CAAC,CAAC;qBAC/D;oBAIK,MAAM,GAAG,CAAC,MAAM,CAAC,SAAS,CAAC,EAAE,GAAG,CAAC,CAAC,EAAE,MAAM,CAAC,SAAS,CAAC,EAAE,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;oBACpE,YAAY,GAAG,KAAK,CAAC;oBACzB,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,EAAE,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,EAAE,EAAE;wBACtC,YAAY,GAAG,IAAI,CAAC;qBACvB;yBAAM,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,EAAE,IAAI,MAAM,CAAC,CAAC,CAAC,KAAK,EAAE,EAAE;wBAC7C,YAAY,GAAG,KAAK,CAAC;qBACxB;yBAAM;wBACG,MAAM,GAAG,MAAM,CAAC,WAAW,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;wBACzC,IAAI,MAAM,IAAI,EAAE;4BAAE,YAAY,GAAG,IAAI,CAAC;qBACzC;oBAEK,OAAO,GAAG,YAAY,CAAC,CAAC,CAAC,UAAC,CAAS,IAAK,OAAA,MAAM,CAAC,WAAW,CAAC,CAAC,GAAG,CAAC,CAAC,EAAzB,CAAyB,CAAC,CAAC,CAAC,UAAC,CAAS,IAAK,OAAA,MAAM,CAAC,WAAW,CAAC,CAAC,GAAG,CAAC,CAAC,EAAzB,CAAyB,CAAC;oBAC7G,SAAS,GAAG,YAAY,CAAC,CAAC,CAAC,UAAC,CAAS,IAAK,OAAA,MAAM,CAAC,WAAW,CAAC,CAAC,GAAG,CAAC,CAAC,EAAzB,CAAyB,CAAC,CAAC,CAAC,UAAC,CAAS,IAAK,OAAA,MAAM,CAAC,WAAW,CAAC,CAAC,GAAG,CAAC,CAAC,EAAzB,CAAyB,CAAC;oBAE/G,MAAM,GAAe;wBACvB,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;wBACd,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;wBACd,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;wBAEd,IAAI,EAAE,OAAO,CAAC,CAAC,CAAC;wBAEhB,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC;wBACnB,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC;wBACnB,OAAO,EAAE,OAAO,CAAC,CAAC,CAAC;wBAEnB,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;wBACd,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;wBACd,EAAE,EAAE,OAAO,CAAC,CAAC,CAAC;wBAEd,OAAO,EAAE,SAAS,CAAC,EAAE,CAAC;wBACtB,OAAO,EAAE,SAAS,CAAC,EAAE,CAAC;wBACtB,OAAO,EAAE,SAAS,CAAC,EAAE,CAAC;wBAEtB,KAAK,EAAE,SAAS,CAAC,EAAE,CAAC;wBACpB,IAAI,EAAE,SAAS,CAAC,EAAE,CAAC;wBACnB,KAAK,EAAE,SAAS,CAAC,EAAE,CAAC;wBAEpB,IAAI,EAAE,OAAO,CAAC,EAAE,CAAC;wBACjB,IAAI,EAAE,OAAO,CAAC,EAAE,CAAC;wBACjB,IAAI,EAAE,OAAO,CAAC,EAAE,CAAC;wBAEjB,IAAI,EAAE,SAAS,CAAC,EAAE,CAAC;wBACnB,IAAI,EAAE,SAAS,CAAC,EAAE,CAAC;wBACnB,KAAK,EAAE,SAAS,CAAC,EAAE,CAAC;wBAEpB,IAAI,EAAE,OAAO,CAAC,EAAE,CAAC;wBAEjB,MAAM,EAAE,OAAO,CAAC,EAAE,CAAC;wBAEnB,MAAM,EAAE,OAAO,CAAC,EAAE,CAAC;wBAEnB,MAAM,EAAE,EAAE;wBACV,MAAM,EAAE,EAAE;wBAEV,SAAS,EAAE,OAAO,CAAC,EAAE,CAAC;wBACtB,SAAS,EAAE,OAAO,CAAC,EAAE,CAAC;wBAEtB,kDAAkD;wBAClD,OAAO,EAAE,SAAS,CAAC,EAAE,CAAC;wBACtB,OAAO,EAAE,SAAS,CAAC,EAAE,CAAC;wBACtB,OAAO,EAAE,SAAS,CAAC,EAAE,CAAC;wBAEtB,GAAG,KAAA;wBACH,MAAM,QAAA;wBAEN,IAAI,EAAE,SAAS,CAAC,EAAE,CAAC;wBAEnB,sBAAsB;wBACtB,0BAA0B;qBAC7B,CAAC;oBAEF,sBAAO,EAAE,MAAM,QAAA,EAAE,YAAY,cAAA,EAAE,EAAC;;;;CACnC;AAvFD,wCAuFC;AAED,SAAsB,cAAc,CAAC,MAAkB,EAAE,MAA+B,EAAE,IAAgB,EAAE,UAAkB,EAAE,MAAc,EAAE,YAAqB;;;;;;yBAC7J,aAAa,CAAC,MAAM,CAAC,EAArB,wBAAqB;oBAEf,eAAe,GAAG,CAAC,GAAG,MAAM,CAAC;oBACnC,oDAAoD;oBACpD,qBAAM,IAAI,CAAC,UAAU,CAAC,UAAU,EAAE,MAAM,CAAC,UAAU,EAAE,MAAM,EAAE,eAAe,CAAC,EAAA;;oBAD7E,oDAAoD;oBACpD,SAA6E,CAAC;oBAExE,IAAI,GAAG,IAAI,SAAS,CAAC,MAAM,CAAC,YAAY,CAAC,MAAM,EAAE,eAAe,CAAC,CAAC;oBAElE,EAAE,GAAG,CAAC,MAAM,CAAC,IAAI,GAAG,MAAM,CAAC,IAAI,CAAC,GAAG,KAAK,CAAC;oBACzC,EAAE,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC,IAAI,GAAG,MAAM,CAAC,IAAI,GAAG,EAAE,CAAC,CAAC;oBAClD,KAAS,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,MAAM,EAAE,CAAC,GAAG,EAAE,EAAE,EAAE,CAAC,EAAE;wBACtC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC,GAAG,EAAE,GAAG,IAAI,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC;qBACxC;;wBAED,qBAAM,IAAA,4BAAc,EAAC,MAAM,EAAE,IAAI,EAAE,UAAU,EAAE,MAAM,EAAE,CAAC,EAAE,YAAY,CAAC,EAAA;;oBAAvE,SAAuE,CAAC;;;;;;CAE/E;AAjBD,wCAiBC;AAED,SAAS,eAAe,CAAC,IAAY;IACjC,QAAQ,IAAI,EAAE;QACV,KAAK,CAAC,CAAC,CAAC,OAAO,iCAAmB,CAAC,IAAI,CAAC;QACxC,KAAK,CAAC,CAAC,CAAC,OAAO,iCAAmB,CAAC,KAAK,CAAC;QACzC,KAAK,CAAC,CAAC,CAAC,OAAO,iCAAmB,CAAC,OAAO,CAAC;QAC3C,KAAK,CAAC,CAAC,CAAC,MAAM,IAAI,KAAK,CAAC,6CAA6C,CAAC,CAAC;QACvE,KAAK,CAAC,CAAC,CAAC,MAAM,IAAI,KAAK,CAAC,0CAA0C,CAAC,CAAC;QACpE,KAAK,CAAC,CAAC,CAAC,iCAAmB,CAAC,MAAM,CAAC;QACnC,KAAK,EAAE,CAAC,CAAC,MAAM,IAAI,KAAK,CAAC,qEAAqE,CAAC,CAAC;KACnG;IACD,MAAM,IAAI,KAAK,CAAC,wBAAiB,IAAI,MAAG,CAAC,CAAC;AAC9C,CAAC;AAED,6FAA6F;AAC7F,SAAS,aAAa,CAAC,MAAkB;IACrC,OAAO,MAAM,CAAC,SAAS,KAAK,CAAC,GAAG,IAAI,MAAM,CAAC,SAAS,KAAK,GAAG,CAAC;AACjE,CAAC;AAED,SAAgB,gBAAgB,CAAC,MAAkB;IAC/C,OAAO,aAAa,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,iCAAmB,CAAC,OAAO,CAAC,CAAC,CAAC,eAAe,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;AAC9F,CAAC;AAFD,4CAEC;AAED,SAAgB,iBAAiB,CAAC,MAAkB;IAChD,OAAO,GAAG,GAAG,CAAC,GAAG,MAAM,CAAC,MAAM,CAAC;AACnC,CAAC;AAFD,8CAEC;AAED,SAAe,aAAa,CAAC,IAAgB,EAAE,IAAY,EAAE,GAAmB;;;;;wBAC5E,qBAAM,GAAG,CAAC,MAAM,CAAC,EAAE,OAAO,EAAE,8BAA8B,EAAE,CAAC,EAAA;;oBAA7D,SAA6D,CAAC;oBAE7B,qBAAM,cAAc,CAAC,IAAI,CAAC,EAAA;;oBAArD,KAA2B,SAA0B,EAAnD,MAAM,YAAA,EAAE,YAAY,kBAAA;oBACtB,MAAM,GAAG,iBAAiB,CAAC,MAAM,CAAC,CAAC;oBACnC,QAAQ,GAAG,eAAe,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;oBACxC,SAAS,GAAG,gBAAgB,CAAC,MAAM,CAAC,CAAC;oBAErC,KAAK,GAAG,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,GAAG,MAAM,CAAC,EAAE,CAAC;oBAC1C,eAAe,GAAG,IAAA,gCAAkB,EAAC,QAAQ,CAAC,CAAC;oBAC/C,SAAS,GAAG,KAAK,GAAG,eAAe,CAAC;oBAEpC,MAAM,GAAG,IAAA,2CAA6B,EAAC,KAAK,EAAE,SAAS,CAAC,CAAC;oBAC/D,cAAc,CAAC,MAAM,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,EAAE,SAAS,EAAE,YAAY,CAAC,CAAC;oBAEhE,MAAM,GAAa,EAAE,MAAM,QAAA,EAAE,MAAM,EAAE,MAAM,CAAC,MAAM,EAAE,IAAI,EAAE,IAAI,CAAC,IAAI,EAAE,CAAC;oBAC5E,sBAAO,MAAM,EAAC;;;;CACjB;AAED,SAAgB,SAAS,CAAC,IAAgB,EAAE,IAAY;IAAxD,iBAQC;IAPG,OAAO,eAAI,CAAC,MAAM,CAAmB,oBAAoB,EAAE,UAAM,GAAG;;;;;;oBAErD,KAAA,CAAA,KAAA,qBAAM,CAAA,CAAC,OAAO,CAAA;oBAAC,qBAAM,aAAa,CAAC,IAAI,EAAE,IAAI,EAAE,GAAG,CAAC,EAAA;wBAA1D,sBAAO,cAAe,SAAoC,EAAC,EAAC;;;oBAE5D,sBAAO,qBAAM,CAAC,KAAK,CAAC,GAAC,CAAC,EAAC;;;;SAE9B,CAAC,CAAC;AACP,CAAC;AARD,8BAQC;AAED,SAAgB,KAAK,CAAC,MAAkB,EAAE,IAAY;IAClD,OAAO,SAAS,CAAC,wBAAU,CAAC,UAAU,CAAC,4BAAY,CAAC,cAAc,CAAC,MAAM,CAAC,EAAE,IAAI,CAAC,EAAE,MAAM,CAAC,MAAM,CAAC,CAAC;AACtG,CAAC;AAFD,sBAEC"}
|
|
@@ -50,7 +50,7 @@ function parseCifBinary(data) {
|
|
|
50
50
|
try {
|
|
51
51
|
unpacked = (0, decode_1.decodeMsgPack)(data);
|
|
52
52
|
if (!checkVersions(minVersion, unpacked.version.match(/(\d)\.(\d)\.\d/).slice(1).map(function (v) { return +v; }))) {
|
|
53
|
-
return [2 /*return*/, result_1.ReaderResult.error("Unsupported format version. Current "
|
|
53
|
+
return [2 /*return*/, result_1.ReaderResult.error("Unsupported format version. Current ".concat(unpacked.version, ", required ").concat(minVersion.join('.'), "."))];
|
|
54
54
|
}
|
|
55
55
|
file = Data.CifFile(unpacked.dataBlocks.map(function (block) {
|
|
56
56
|
var cats = Object.create(null);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"parser.js","sourceRoot":"","sources":["../../../../../../src/mol-io/reader/cif/binary/parser.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,+DAAsC;AAEtC,iCAAgC;AAChC,uCAAsD;AACtD,yDAA+D;AAC/D,iDAA4C;AAE5C,SAAS,aAAa,CAAC,GAAa,EAAE,OAAiB;IACnD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE,EAAE;QACxB,IAAI,GAAG,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC;YAAE,OAAO,KAAK,CAAC;KACzC;IACD,OAAO,IAAI,CAAC;AAChB,CAAC;AAED,SAAS,QAAQ,CAAC,IAAqB;IACnC,IAAM,GAAG,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IAChC,IAAM,KAAK,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IAClC,KAAkB,UAAY,EAAZ,KAAA,IAAI,CAAC,OAAO,EAAZ,cAAY,EAAZ,IAAY;QAAzB,IAAM,GAAG,SAAA;QAAkB,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,GAAG,GAAG,CAAC;KAAA;IACpD,OAAO;QACH,QAAQ,EAAE,IAAI,CAAC,QAAQ;QACvB,IAAI,EAAE,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC;QACzB,UAAU,EAAE,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,EAAN,CAAM,CAAC;QACzC,QAAQ,YAAC,IAAI;YACT,IAAM,GAAG,GAAG,GAAG,CAAC,IAAI,CAAC,CAAC;YACtB,IAAI,CAAC,GAAG;gBAAE,OAAO,KAAK,CAAC,CAAC;YACxB,IAAI,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC;gBAAE,OAAO,KAAK,CAAC,IAAI,CAAC,CAAC;YACtC,KAAK,CAAC,IAAI,CAAC,GAAG,IAAA,aAAK,EAAC,GAAG,CAAC,CAAC;YACzB,OAAO,KAAK,CAAC,IAAI,CAAC,CAAC;QACvB,CAAC;KACJ,CAAC;AACN,CAAC;AAED,SAAgB,cAAc,CAAC,IAAgB;IAA/C,iBAmBC;IAlBG,OAAO,eAAI,CAAC,MAAM,CAAuB,iBAAiB,EAAE,UAAM,GAAG;;;YAC3D,UAAU,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;YAE1B,IAAI;gBACM,QAAQ,GAAG,IAAA,sBAAa,EAAC,IAAI,CAAgB,CAAC;gBACpD,IAAI,CAAC,aAAa,CAAC,UAAU,EAAE,QAAQ,CAAC,OAAO,CAAC,KAAK,CAAC,gBAAgB,CAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,EAAF,CAAE,CAAC,CAAC,EAAE;oBAC7F,sBAAO,qBAAM,CAAC,KAAK,CAAe,
|
|
1
|
+
{"version":3,"file":"parser.js","sourceRoot":"","sources":["../../../../../../src/mol-io/reader/cif/binary/parser.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,+DAAsC;AAEtC,iCAAgC;AAChC,uCAAsD;AACtD,yDAA+D;AAC/D,iDAA4C;AAE5C,SAAS,aAAa,CAAC,GAAa,EAAE,OAAiB;IACnD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE,EAAE;QACxB,IAAI,GAAG,CAAC,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,CAAC;YAAE,OAAO,KAAK,CAAC;KACzC;IACD,OAAO,IAAI,CAAC;AAChB,CAAC;AAED,SAAS,QAAQ,CAAC,IAAqB;IACnC,IAAM,GAAG,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IAChC,IAAM,KAAK,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IAClC,KAAkB,UAAY,EAAZ,KAAA,IAAI,CAAC,OAAO,EAAZ,cAAY,EAAZ,IAAY;QAAzB,IAAM,GAAG,SAAA;QAAkB,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,GAAG,GAAG,CAAC;KAAA;IACpD,OAAO;QACH,QAAQ,EAAE,IAAI,CAAC,QAAQ;QACvB,IAAI,EAAE,IAAI,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC;QACzB,UAAU,EAAE,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,EAAN,CAAM,CAAC;QACzC,QAAQ,YAAC,IAAI;YACT,IAAM,GAAG,GAAG,GAAG,CAAC,IAAI,CAAC,CAAC;YACtB,IAAI,CAAC,GAAG;gBAAE,OAAO,KAAK,CAAC,CAAC;YACxB,IAAI,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC;gBAAE,OAAO,KAAK,CAAC,IAAI,CAAC,CAAC;YACtC,KAAK,CAAC,IAAI,CAAC,GAAG,IAAA,aAAK,EAAC,GAAG,CAAC,CAAC;YACzB,OAAO,KAAK,CAAC,IAAI,CAAC,CAAC;QACvB,CAAC;KACJ,CAAC;AACN,CAAC;AAED,SAAgB,cAAc,CAAC,IAAgB;IAA/C,iBAmBC;IAlBG,OAAO,eAAI,CAAC,MAAM,CAAuB,iBAAiB,EAAE,UAAM,GAAG;;;YAC3D,UAAU,GAAG,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;YAE1B,IAAI;gBACM,QAAQ,GAAG,IAAA,sBAAa,EAAC,IAAI,CAAgB,CAAC;gBACpD,IAAI,CAAC,aAAa,CAAC,UAAU,EAAE,QAAQ,CAAC,OAAO,CAAC,KAAK,CAAC,gBAAgB,CAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,EAAF,CAAE,CAAC,CAAC,EAAE;oBAC7F,sBAAO,qBAAM,CAAC,KAAK,CAAe,8CAAuC,QAAQ,CAAC,OAAO,wBAAc,UAAU,CAAC,IAAI,CAAC,GAAG,CAAC,MAAG,CAAC,EAAC;iBACnI;gBACK,IAAI,GAAG,IAAI,CAAC,OAAO,CAAC,QAAQ,CAAC,UAAU,CAAC,GAAG,CAAC,UAAA,KAAK;oBACnD,IAAM,IAAI,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;oBACjC,KAAkB,UAAgB,EAAhB,KAAA,KAAK,CAAC,UAAU,EAAhB,cAAgB,EAAhB,IAAgB;wBAA7B,IAAM,GAAG,SAAA;wBAAsB,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC,GAAG,CAAC,CAAC;qBAAA;oBAC7E,OAAO,IAAI,CAAC,QAAQ,CAAC,KAAK,CAAC,UAAU,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,EAAhB,CAAgB,CAAC,EAAE,IAAI,EAAE,KAAK,CAAC,MAAM,CAAC,CAAC;gBAC1F,CAAC,CAAC,CAAC,CAAC;gBACJ,sBAAO,qBAAM,CAAC,OAAO,CAAC,IAAI,CAAC,EAAC;aAC/B;YAAC,OAAO,CAAC,EAAE;gBACR,sBAAO,qBAAM,CAAC,KAAK,CAAe,EAAE,GAAG,CAAC,CAAC,EAAC;aAC7C;;;SACJ,CAAC,CAAC;AACP,CAAC;AAnBD,wCAmBC"}
|
|
@@ -200,7 +200,7 @@ var CifField;
|
|
|
200
200
|
float = function (row) { return NaN; };
|
|
201
201
|
break;
|
|
202
202
|
default:
|
|
203
|
-
throw new Error("unsupported valueType '"
|
|
203
|
+
throw new Error("unsupported valueType '".concat(column.schema.valueType, "'"));
|
|
204
204
|
}
|
|
205
205
|
return {
|
|
206
206
|
__array: void 0,
|
|
@@ -228,16 +228,16 @@ function tensorFieldNameGetter(field, rank, zeroIndexed, namingVariant) {
|
|
|
228
228
|
switch (rank) {
|
|
229
229
|
case 1:
|
|
230
230
|
return namingVariant === 'brackets'
|
|
231
|
-
? function (i) { return field
|
|
232
|
-
: function (i) { return field
|
|
231
|
+
? function (i) { return "".concat(field, "[").concat(i + offset, "]"); }
|
|
232
|
+
: function (i) { return "".concat(field, "_").concat(i + offset); };
|
|
233
233
|
case 2:
|
|
234
234
|
return namingVariant === 'brackets'
|
|
235
|
-
? function (i, j) { return field
|
|
236
|
-
: function (i, j) { return field
|
|
235
|
+
? function (i, j) { return "".concat(field, "[").concat(i + offset, "][").concat(j + offset, "]"); }
|
|
236
|
+
: function (i, j) { return "".concat(field, "_").concat(i + offset).concat(j + offset); };
|
|
237
237
|
case 3:
|
|
238
238
|
return namingVariant === 'brackets'
|
|
239
|
-
? function (i, j, k) { return field
|
|
240
|
-
: function (i, j, k) { return field
|
|
239
|
+
? function (i, j, k) { return "".concat(field, "[").concat(i + offset, "][").concat(j + offset, "][").concat(k + offset, "]"); }
|
|
240
|
+
: function (i, j, k) { return "".concat(field, "_").concat(i + offset).concat(j + offset).concat(k + offset); };
|
|
241
241
|
default:
|
|
242
242
|
throw new Error('Tensors with rank > 3 or rank 0 are currently not supported.');
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|
243
243
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}
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|
@@ -1 +1 @@
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1
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-
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1
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AAM,IAAI,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,IAAI,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QAC7D,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,EAAE,CAAC,EAAE,EAAE;YAC3B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,EAAE,CAAC,EAAE,EAAE;gBAC3B,IAAM,CAAC,GAAG,QAAQ,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;gBAC3C,KAAK,CAAC,GAAG,CAAC,GAAG,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;aAClD;SACJ;KACJ;SAAM,IAAI,KAAK,CAAC,IAAI,KAAK,CAAC,EAAE;QACzB,IAAM,EAAE,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;QACnF,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;YACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;gBACzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;oBACzB,IAAM,CAAC,GAAG,QAAQ,CAAC,QAAQ,CAAC,OAAO,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;oBAC9C,KAAK,CAAC,GAAG,CAAC,GAAG,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;iBACrD;aACJ;SACJ;KACJ;SAAM;QACH,MAAM,IAAI,KAAK,CAAC,8DAA8D,CAAC,CAAC;KACnF;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AA/BD,8BA+BC;AAED,SAAgB,eAAe,CAAC,KAAe;IAC3C,IAAI,UAAU,GAAG,CAAC,EAAE,qBAAqB,GAAG,KAAK,EAAE,cAAc,GAAG,CAAC,CAAC;IACtE,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,EAAE,GAAG,KAAK,CAAC,QAAQ,EAAE,CAAC,GAAG,EAAE,EAAE,CAAC,EAAE,EAAE;QAC9C,IAAM,CAAC,GAAG,KAAK,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC;QAC7B,IAAI,CAAC,oBAA6B,EAAE;YAChC,cAAc,EAAE,CAAC;YACjB,SAAS;SACZ;QACD,IAAM,IAAI,GAAG,IAAA,6BAAa,EAAC,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QACzC,IAAI,IAAI,gBAAmB;YAAE,SAAS;aACjC,IAAI,IAAI,kBAAqB;YAAE,UAAU,EAAE,CAAC;aAC5C;YAAE,qBAAqB,GAAG,IAAI,CAAC;YAAC,MAAM;SAAE;KAChD;IAED,wEAAwE;IACxE,IAAI,qBAAqB,IAAI,cAAc,KAAK,KAAK,CAAC,QAAQ;QAAE,OAAO,WAAM,CAAC,MAAM,CAAC,GAAG,CAAC;IACzF,IAAI,UAAU,GAAG,CAAC;QAAE,OAAO,WAAM,CAAC,MAAM,CAAC,KAAK,CAAC;IAC/C,OAAO,WAAM,CAAC,MAAM,CAAC,GAAG,CAAC;AAC7B,CAAC;AAlBD,0CAkBC"}
|
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@@ -479,7 +479,7 @@ export declare const BIRD_Schema: {
|
|
|
479
479
|
/**
|
|
480
480
|
* An identifier for the wwPDB site creating or modifying the molecule.
|
|
481
481
|
*/
|
|
482
|
-
processing_site: Schema.Aliased<"
|
|
482
|
+
processing_site: Schema.Aliased<"PDBe" | "RCSB" | "BMRB" | "PDBJ" | "PDBC">;
|
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483
483
|
/**
|
|
484
484
|
* The action associated with this audit record.
|
|
485
485
|
*/
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@@ -10,8 +10,8 @@ export declare const DensityServer_Header_Schema: {
|
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10
10
|
server_version: Schema.Str;
|
|
11
11
|
datetime_utc: Schema.Str;
|
|
12
12
|
guid: Schema.Str;
|
|
13
|
-
is_empty: Schema.Aliased<"
|
|
14
|
-
has_error: Schema.Aliased<"
|
|
13
|
+
is_empty: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
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14
|
+
has_error: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
15
15
|
error: Schema.Str;
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|
16
16
|
query_source_id: Schema.Str;
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17
17
|
query_type: Schema.Aliased<"cell" | "box">;
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@@ -32,7 +32,7 @@ export declare const mmCIF_chemComp_schema: {
|
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32
32
|
formula: Column.Schema.Str;
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|
33
33
|
formula_weight: Column.Schema.Float;
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34
34
|
id: Column.Schema.Str;
|
|
35
|
-
mon_nstd_flag: Column.Schema.Aliased<"
|
|
35
|
+
mon_nstd_flag: Column.Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
36
36
|
name: Column.Schema.Str;
|
|
37
37
|
pdbx_synonyms: Column.Schema.List<string>;
|
|
38
38
|
};
|
|
@@ -478,7 +478,7 @@ export declare const mmCIF_Schema: {
|
|
|
478
478
|
* _chem_comp.mon_nstd_parent, _chem_comp.mon_nstd_class and
|
|
479
479
|
* _chem_comp.mon_nstd_details data items.
|
|
480
480
|
*/
|
|
481
|
-
mon_nstd_flag: Schema.Aliased<"
|
|
481
|
+
mon_nstd_flag: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
482
482
|
/**
|
|
483
483
|
* The full name of the component.
|
|
484
484
|
*/
|
|
@@ -786,12 +786,12 @@ export declare const mmCIF_Schema: {
|
|
|
786
786
|
* one monomer-to-monomer link different from that implied by
|
|
787
787
|
* _entity_poly.type.
|
|
788
788
|
*/
|
|
789
|
-
nstd_linkage: Schema.Aliased<"
|
|
789
|
+
nstd_linkage: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
790
790
|
/**
|
|
791
791
|
* A flag to indicate whether the polymer contains at least
|
|
792
792
|
* one monomer that is not considered standard.
|
|
793
793
|
*/
|
|
794
|
-
nstd_monomer: Schema.Aliased<"
|
|
794
|
+
nstd_monomer: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
795
795
|
/**
|
|
796
796
|
* The type of the polymer.
|
|
797
797
|
*/
|
|
@@ -885,7 +885,7 @@ export declare const mmCIF_Schema: {
|
|
|
885
885
|
* A flag to indicate whether this monomer in the polymer is
|
|
886
886
|
* heterogeneous in sequence.
|
|
887
887
|
*/
|
|
888
|
-
hetero: Schema.Aliased<"
|
|
888
|
+
hetero: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
889
889
|
/**
|
|
890
890
|
* This data item is a pointer to _chem_comp.id in the CHEM_COMP
|
|
891
891
|
* category.
|
|
@@ -1420,7 +1420,7 @@ export declare const mmCIF_Schema: {
|
|
|
1420
1420
|
* those that are given in the data block (in which case the value
|
|
1421
1421
|
* of code is 'generate').
|
|
1422
1422
|
*/
|
|
1423
|
-
code: Schema.Aliased<"
|
|
1423
|
+
code: Schema.Aliased<"generate" | "given">;
|
|
1424
1424
|
/**
|
|
1425
1425
|
* A description of special aspects of the noncrystallographic
|
|
1426
1426
|
* symmetry operator.
|
|
@@ -1886,7 +1886,7 @@ export declare const mmCIF_Schema: {
|
|
|
1886
1886
|
/**
|
|
1887
1887
|
* The identifying content type of the related entry.
|
|
1888
1888
|
*/
|
|
1889
|
-
content_type: Schema.Aliased<"other" | "minimized average structure" | "representative structure" | "ensemble" | "derivative structure" | "native structure" | "associated EM volume" | "other EM volume" | "associated NMR restraints" | "associated structure factors" | "associated SAS data" | "protein target sequence and/or protocol data" | "
|
|
1889
|
+
content_type: Schema.Aliased<"split" | "other" | "minimized average structure" | "representative structure" | "ensemble" | "derivative structure" | "native structure" | "associated EM volume" | "other EM volume" | "associated NMR restraints" | "associated structure factors" | "associated SAS data" | "protein target sequence and/or protocol data" | "re-refinement" | "complete structure" | "unspecified">;
|
|
1890
1890
|
};
|
|
1891
1891
|
/**
|
|
1892
1892
|
* The PDBX_ENTITY_NONPOLY category provides a mapping between
|
|
@@ -2660,7 +2660,7 @@ export declare const mmCIF_Schema: {
|
|
|
2660
2660
|
* A flag to indicate whether this monomer in the entity is
|
|
2661
2661
|
* heterogeneous in sequence.
|
|
2662
2662
|
*/
|
|
2663
|
-
hetero: Schema.Aliased<"
|
|
2663
|
+
hetero: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
2664
2664
|
/**
|
|
2665
2665
|
* This data item is a pointer to _chem_comp.id in the CHEM_COMP
|
|
2666
2666
|
* category.
|
|
@@ -2779,7 +2779,7 @@ export declare const mmCIF_Schema: {
|
|
|
2779
2779
|
* A flag to indicate whether this monomer in the entity is
|
|
2780
2780
|
* heterogeneous in sequence.
|
|
2781
2781
|
*/
|
|
2782
|
-
hetero: Schema.Aliased<"
|
|
2782
|
+
hetero: Schema.Aliased<"y" | "no" | "n" | "yes">;
|
|
2783
2783
|
/**
|
|
2784
2784
|
* Pointer to _atom_site.label_asym_id.
|
|
2785
2785
|
*/
|
|
@@ -3083,7 +3083,7 @@ export declare const mmCIF_Schema: {
|
|
|
3083
3083
|
/**
|
|
3084
3084
|
* The primitive object used to model this segment.
|
|
3085
3085
|
*/
|
|
3086
|
-
model_object_primitive: Schema.Aliased<"
|
|
3086
|
+
model_object_primitive: Schema.Aliased<"sphere" | "other" | "atomistic" | "gaussian">;
|
|
3087
3087
|
/**
|
|
3088
3088
|
* The identifier for the starting structural model.
|
|
3089
3089
|
* This data item is a pointer to _ihm_starting_model_details.starting_model_id
|
|
@@ -3343,11 +3343,11 @@ export declare const mmCIF_Schema: {
|
|
|
3343
3343
|
/**
|
|
3344
3344
|
* The type of post modeling analysis being carried out.
|
|
3345
3345
|
*/
|
|
3346
|
-
type: Schema.Aliased<"filter" | "
|
|
3346
|
+
type: Schema.Aliased<"filter" | "none" | "other" | "cluster" | "rescore" | "validation">;
|
|
3347
3347
|
/**
|
|
3348
3348
|
* The parameter/feature used in the post modeling analysis.
|
|
3349
3349
|
*/
|
|
3350
|
-
feature: Schema.Aliased<"
|
|
3350
|
+
feature: Schema.Aliased<"none" | "other" | "energy/score" | "RMSD" | "dRMSD">;
|
|
3351
3351
|
/**
|
|
3352
3352
|
* The number of models at the beginning of the post processing step.
|
|
3353
3353
|
*/
|
|
@@ -3566,7 +3566,7 @@ export declare const mmCIF_Schema: {
|
|
|
3566
3566
|
/**
|
|
3567
3567
|
* The application / utilization of the dataset group in modeling.
|
|
3568
3568
|
*/
|
|
3569
|
-
application: Schema.Aliased<"filter" | "
|
|
3569
|
+
application: Schema.Aliased<"filter" | "representation" | "other" | "validation" | "restraint" | "sampling">;
|
|
3570
3570
|
/**
|
|
3571
3571
|
* Additional details regarding the dataset group.
|
|
3572
3572
|
*/
|
|
@@ -24,7 +24,7 @@ var FieldPath;
|
|
|
24
24
|
FieldPath.equal = equal;
|
|
25
25
|
function create(category, field, asCanonical) {
|
|
26
26
|
if (asCanonical === void 0) { asCanonical = false; }
|
|
27
|
-
var p = ""
|
|
27
|
+
var p = "".concat(category).concat(field ? ".".concat(field) : '');
|
|
28
28
|
return asCanonical ? canonical(p) : p;
|
|
29
29
|
}
|
|
30
30
|
FieldPath.create = create;
|
|
@@ -86,13 +86,13 @@ function createListColumn(schema, category, key) {
|
|
|
86
86
|
}
|
|
87
87
|
function createTensorColumn(schema, category, key) {
|
|
88
88
|
var space = schema.space;
|
|
89
|
-
var zeroOffset = (category.fieldNames.includes(key
|
|
90
|
-
category.fieldNames.includes(key
|
|
91
|
-
category.fieldNames.includes(key
|
|
89
|
+
var zeroOffset = (category.fieldNames.includes("".concat(key, "[0]")) ||
|
|
90
|
+
category.fieldNames.includes("".concat(key, "[0][0]")) ||
|
|
91
|
+
category.fieldNames.includes("".concat(key, "[0][0][0]")));
|
|
92
92
|
var fst = zeroOffset ? 0 : 1;
|
|
93
|
-
var namingVariant = (category.fieldNames.includes(key
|
|
94
|
-
category.fieldNames.includes(key
|
|
95
|
-
category.fieldNames.includes(key
|
|
93
|
+
var namingVariant = (category.fieldNames.includes("".concat(key, "_1")) ||
|
|
94
|
+
category.fieldNames.includes("".concat(key, "_11")) ||
|
|
95
|
+
category.fieldNames.includes("".concat(key, "_111"))) ? 'underscore' : 'brackets';
|
|
96
96
|
var getName = Data.tensorFieldNameGetter(key, space.rank, zeroOffset, namingVariant);
|
|
97
97
|
var first = category.getField(getName(fst, fst, fst)) || db_1.Column.Undefined(category.rowCount, schema);
|
|
98
98
|
var value = function (row) { return Data.getTensor(category, space, row, getName); };
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"schema.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/cif/schema.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,2CAAkG;AAClG,mEAA0D;AAC1D,8CAA+C;AAC/C,8DAAqC;AAErC,IAAiB,SAAS,CAazB;AAbD,WAAiB,SAAS;IACtB,SAAgB,SAAS,CAAC,IAAY;QAClC,OAAO,IAAI,CAAC,OAAO,CAAC,GAAG,EAAE,GAAG,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,CAAC,OAAO,CAAC,UAAU,EAAE,EAAE,CAAC,CAAC;IAC7E,CAAC;IAFe,mBAAS,YAExB,CAAA;IAED,SAAgB,KAAK,CAAC,KAAa,EAAE,KAAa;QAC9C,OAAO,SAAS,CAAC,KAAK,CAAC,KAAK,SAAS,CAAC,KAAK,CAAC,CAAC;IACjD,CAAC;IAFe,eAAK,QAEpB,CAAA;IAED,SAAgB,MAAM,CAAC,QAAgB,EAAE,KAAa,EAAE,WAAmB;QAAnB,4BAAA,EAAA,mBAAmB;QACvE,IAAM,CAAC,GAAG,
|
|
1
|
+
{"version":3,"file":"schema.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/cif/schema.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,2CAAkG;AAClG,mEAA0D;AAC1D,8CAA+C;AAC/C,8DAAqC;AAErC,IAAiB,SAAS,CAazB;AAbD,WAAiB,SAAS;IACtB,SAAgB,SAAS,CAAC,IAAY;QAClC,OAAO,IAAI,CAAC,OAAO,CAAC,GAAG,EAAE,GAAG,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,CAAC,OAAO,CAAC,UAAU,EAAE,EAAE,CAAC,CAAC;IAC7E,CAAC;IAFe,mBAAS,YAExB,CAAA;IAED,SAAgB,KAAK,CAAC,KAAa,EAAE,KAAa;QAC9C,OAAO,SAAS,CAAC,KAAK,CAAC,KAAK,SAAS,CAAC,KAAK,CAAC,CAAC;IACjD,CAAC;IAFe,eAAK,QAEpB,CAAA;IAED,SAAgB,MAAM,CAAC,QAAgB,EAAE,KAAa,EAAE,WAAmB;QAAnB,4BAAA,EAAA,mBAAmB;QACvE,IAAM,CAAC,GAAG,UAAG,QAAQ,SAAG,KAAK,CAAC,CAAC,CAAC,WAAI,KAAK,CAAE,CAAC,CAAC,CAAC,EAAE,CAAE,CAAC;QACnD,OAAO,WAAW,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAC1C,CAAC;IAHe,gBAAM,SAGrB,CAAA;AACL,CAAC,EAbgB,SAAS,GAAT,iBAAS,KAAT,iBAAS,QAazB;AAED,SAAgB,oBAAoB,CAAiC,MAAc,EAAE,IAAkB,EAAE,OAAyB;IAC9H,IAAM,GAAG,GAA+B,EAAE,CAAC;IAC3C,KAAmB,UAAW,EAAX,KAAA,IAAI,CAAC,MAAM,EAAX,cAAW,EAAX,IAAW,EAAE;QAA3B,IAAM,IAAI,SAAA;QACX,GAAG,CAAC,IAAI,CAAC,MAAM,CAAC,GAAG,UAAU,CAAC,MAAM,EAAE,IAAI,EAAE,OAAO,CAAC,CAAC;KACxD;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAND,oDAMC;AAED,SAAgB,UAAU,CAAoF,MAAc,EAAE,KAAoB,EAAE,OAAyB;IACzK,OAAO,cAAc,CAAC,MAAM,EAAE,KAAK,EAAE,OAAO,CAAU,CAAC;AAC3D,CAAC;AAFD,gCAEC;AAED,SAAgB,OAAO,CAAuE,MAAc,EAAE,QAA0B;IACpI,OAAO,IAAI,aAAa,CAAC,QAAQ,EAAE,MAAM,EAAE,IAAI,CAAQ,CAAC;AAC5D,CAAC;AAFD,0BAEC;AAID,SAAS,aAAa,CAAC,CAAgB;IACnC,QAAQ,CAAC,CAAC,SAAS,EAAE;QACjB,KAAK,KAAK,CAAC,CAAC,OAAO,UAAC,CAAC,EAAE,CAAC,EAAE,CAAC,IAAK,OAAA,YAAY,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,aAAa,CAAC,EAA1C,CAA0C,CAAC;QAC3E,KAAK,KAAK,CAAC,CAAC,OAAO,UAAC,CAAC,EAAE,CAAC,EAAE,CAAC,IAAK,OAAA,YAAY,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,UAAU,CAAC,EAAvC,CAAuC,CAAC;QACxE,KAAK,OAAO,CAAC,CAAC,OAAO,UAAC,CAAC,EAAE,CAAC,EAAE,CAAC,IAAK,OAAA,YAAY,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,YAAY,CAAC,EAA3C,CAA2C,CAAC;QAC9E,KAAK,MAAM,CAAC,CAAC,MAAM,IAAI,KAAK,CAAC,+BAA+B,CAAC,CAAC;QAC9D,KAAK,QAAQ,CAAC,CAAC,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACrE;AACL,CAAC;AAED,SAAS,YAAY,CAAI,MAAqB,EAAE,KAAoB,EAAE,KAAyB,EAAE,OAA6B;IAC1H,OAAO;QACH,MAAM,QAAA;QACN,OAAO,EAAE,KAAK,CAAC,OAAO;QACtB,SAAS,EAAE,KAAK,CAAC,SAAS;QAC1B,QAAQ,EAAE,KAAK,CAAC,QAAQ;QACxB,KAAK,OAAA;QACL,SAAS,EAAE,KAAK,CAAC,SAAS;QAC1B,cAAc,EAAE,KAAK,CAAC,cAAc;QACpC,OAAO,SAAA;KACV,CAAC;AACN,CAAC;AAED,SAAS,gBAAgB,CAA4B,MAA6B,EAAE,QAA0B,EAAE,GAAW;IACvH,IAAM,SAAS,GAAG,MAAM,CAAC,SAAS,CAAC;IACnC,IAAM,SAAS,GAAG,MAAM,CAAC,SAAS,CAAC;IAEnC,IAAM,CAAC,GAAG,QAAQ,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC;IACjC,IAAM,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,UAAC,GAAW,IAAK,OAAA,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,SAAS,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,EAAnB,CAAmB,CAAC,CAAC,MAAM,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,CAAC,EAAH,CAAG,CAAC,EAA1E,CAA0E,CAAC,CAAC,CAAC,UAAC,GAAW,IAAK,OAAA,EAAE,EAAF,CAAE,CAAC;IACpI,IAAM,OAAO,GAA2B,UAAA,MAAM,IAAI,OAAA,kBAAa,CAAC,kBAAkB,CAAC,QAAQ,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM,CAAC,EAAlE,CAAkE,CAAC;IAErH,OAAO;QACH,MAAM,QAAA;QACN,OAAO,EAAE,KAAK,CAAC;QACf,SAAS,EAAE,CAAC,CAAC,CAAC;QACd,QAAQ,EAAE,QAAQ,CAAC,QAAQ;QAC3B,KAAK,OAAA;QACL,SAAS,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,cAAM,2BAAA,CAA2B;QAC9D,cAAc,EAAE,UAAC,IAAI,EAAE,IAAI,IAAK,OAAA,IAAA,qBAAU,EAAC,KAAK,CAAC,IAAI,CAAC,EAAE,KAAK,CAAC,IAAI,CAAC,CAAC,EAApC,CAAoC;QACpE,OAAO,SAAA;KACV,CAAC;AACN,CAAC;AAED,SAAS,kBAAkB,CAAC,MAA4B,EAAE,QAA0B,EAAE,GAAW;IAC7F,IAAM,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC;IAC3B,IAAM,UAAU,GAAG,CACf,QAAQ,CAAC,UAAU,CAAC,QAAQ,CAAC,UAAG,GAAG,QAAK,CAAC;QACzC,QAAQ,CAAC,UAAU,CAAC,QAAQ,CAAC,UAAG,GAAG,WAAQ,CAAC;QAC5C,QAAQ,CAAC,UAAU,CAAC,QAAQ,CAAC,UAAG,GAAG,cAAW,CAAC,CAClD,CAAC;IACF,IAAM,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAC/B,IAAM,aAAa,GAAG,CAClB,QAAQ,CAAC,UAAU,CAAC,QAAQ,CAAC,UAAG,GAAG,OAAI,CAAC;QACxC,QAAQ,CAAC,UAAU,CAAC,QAAQ,CAAC,UAAG,GAAG,QAAK,CAAC;QACzC,QAAQ,CAAC,UAAU,CAAC,QAAQ,CAAC,UAAG,GAAG,SAAM,CAAC,CAC7C,CAAC,CAAC,CAAC,YAAY,CAAC,CAAC,CAAC,UAAU,CAAC;IAE9B,IAAM,OAAO,GAAG,IAAI,CAAC,qBAAqB,CAAC,GAAG,EAAE,KAAK,CAAC,IAAI,EAAE,UAAU,EAAE,aAAa,CAAC,CAAC;IACvF,IAAM,KAAK,GAAG,QAAQ,CAAC,QAAQ,CAAC,OAAO,CAAC,GAAG,EAAE,GAAG,EAAE,GAAG,CAAC,CAAC,IAAI,WAAM,CAAC,SAAS,CAAC,QAAQ,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;IACvG,IAAM,KAAK,GAAG,UAAC,GAAW,IAAK,OAAA,IAAI,CAAC,SAAS,CAAC,QAAQ,EAAE,KAAK,EAAE,GAAG,EAAE,OAAO,CAAC,EAA7C,CAA6C,CAAC;IAC7E,IAAM,OAAO,GAAmC,UAAA,MAAM,IAAI,OAAA,kBAAa,CAAC,kBAAkB,CAAC,QAAQ,CAAC,QAAQ,EAAE,KAAK,EAAE,MAAM,CAAC,EAAlE,CAAkE,CAAC;IAE7H,OAAO;QACH,MAAM,QAAA;QACN,OAAO,EAAE,KAAK,CAAC;QACf,SAAS,EAAE,KAAK,CAAC,SAAS;QAC1B,QAAQ,EAAE,QAAQ,CAAC,QAAQ;QAC3B,KAAK,OAAA;QACL,SAAS,EAAE,KAAK,CAAC,SAAS;QAC1B,cAAc,EAAE,UAAC,IAAI,EAAE,IAAI,IAAK,OAAA,uBAAM,CAAC,aAAa,CAAC,KAAK,CAAC,IAAI,CAAC,EAAE,KAAK,CAAC,IAAI,CAAC,CAAC,EAA9C,CAA8C;QAC9E,OAAO,SAAA;KACV,CAAC;AACN,CAAC;AAED;IAMI,uBAAY,QAA0B,EAAE,MAAoB,EAAS,UAAmB;QAAnB,eAAU,GAAV,UAAU,CAAS;QACpF,IAAM,SAAS,GAAG,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;QACtC,IAAI,CAAC,SAAS,GAAG,QAAQ,CAAC,QAAQ,CAAC;QACnC,IAAI,CAAC,QAAQ,GAAG,SAAS,CAAC;QAC1B,IAAI,CAAC,OAAO,GAAG,MAAM,CAAC;QACtB,IAAM,KAAK,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;gCACvB,CAAC;YACR,MAAM,CAAC,cAAc,SAAO,CAAC,EAAE;gBAC3B,GAAG,EAAE;oBACD,IAAI,KAAK,CAAC,CAAC,CAAC;wBAAE,OAAO,KAAK,CAAC,CAAC,CAAC,CAAC;oBAC9B,IAAM,KAAK,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;oBACxB,IAAI,KAAK,CAAC,SAAS,KAAK,MAAM,EAAE;wBAC5B,KAAK,CAAC,CAAC,CAAC,GAAG,gBAAgB,CAAC,KAAK,EAAE,QAAQ,EAAE,CAAC,CAAC,CAAC;qBACnD;yBAAM,IAAI,KAAK,CAAC,SAAS,KAAK,QAAQ,EAAE;wBACrC,KAAK,CAAC,CAAC,CAAC,GAAG,kBAAkB,CAAC,KAAK,EAAE,QAAQ,EAAE,CAAC,CAAC,CAAC;qBACrD;yBAAM;wBACH,IAAM,IAAI,GAAG,aAAa,CAAC,KAAK,CAAC,CAAC;wBAClC,IAAM,KAAK,GAAG,QAAQ,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;wBACnC,KAAK,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,EAAE,QAAQ,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,WAAM,CAAC,SAAS,CAAC,QAAQ,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC;qBAC9F;oBACD,OAAO,KAAK,CAAC,CAAC,CAAC,CAAC;gBACpB,CAAC;gBACD,UAAU,EAAE,IAAI;gBAChB,YAAY,EAAE,KAAK;aACtB,CAAC,CAAC;;;QAlBP,KAAgB,UAAS,EAAT,uBAAS,EAAT,uBAAS,EAAT,IAAS;YAApB,IAAM,CAAC,kBAAA;oBAAD,CAAC;SAmBX;IACL,CAAC;IACL,oBAAC;AAAD,CAAC,AAjCD,IAiCC;AAED,SAAS,cAAc,CAAC,MAAuB,EAAE,KAAoB,EAAE,OAAyB;IAC5F,IAAM,MAAM,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IACnC,KAAgB,UAAmB,EAAnB,KAAA,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,EAAnB,cAAmB,EAAnB,IAAmB,EAAE;QAAhC,IAAM,CAAC,SAAA;QACR,MAAM,CAAC,CAAC,CAAC,GAAG,WAAW,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,KAAK,EAAE,OAAO,CAAC,CAAC;KACzD;IACD,OAAO,aAAQ,CAAC,QAAQ,CAAC,KAAK,CAAC,MAAM,EAAE,MAAM,EAAE,MAAM,CAAC,CAAC;AAC3D,CAAC;AAID,SAAS,YAAY,CAAC,KAAoB;IACtC,IAAM,SAAS,GAAG,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IACtC,KAAgB,UAA6B,EAA7B,KAAA,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,UAAU,CAAC,EAA7B,cAA6B,EAA7B,IAA6B,EAAE;QAA1C,IAAM,CAAC,SAAA;QACR,KAAgB,UAA8B,EAA9B,KAAA,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC,UAAU,EAA9B,cAA8B,EAA9B,IAA8B,EAAE;YAA3C,IAAM,CAAC,SAAA;YACR,IAAM,CAAC,GAAG,SAAS,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,EAAE,IAAI,CAAC,CAAC;YACvC,SAAS,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC;SAClD;KACJ;IACD,OAAO,SAAS,CAAC;AACrB,CAAC;AAED,SAAS,QAAQ,CAAC,KAAa,EAAE,QAAgB,EAAE,SAAoB,EAAE,OAAyB;IAC9F,IAAM,IAAI,GAAG,SAAS,CAAC,MAAM,CAAC,QAAQ,EAAE,KAAK,CAAC,CAAC;IAC/C,IAAM,aAAa,GAAG,SAAS,CAAC,SAAS,CAAC,IAAI,CAAC,CAAC;IAChD,IAAI,aAAa,IAAI,SAAS;QAAE,OAAO,SAAS,CAAC,aAAa,CAAC,CAAC;IAChE,IAAI,OAAO,IAAI,IAAI,IAAI,OAAO,EAAE;QAC5B,KAAsB,UAAa,EAAb,KAAA,OAAO,CAAC,IAAI,CAAC,EAAb,cAAa,EAAb,IAAa,EAAE;YAAhC,IAAM,OAAO,SAAA;YACd,IAAM,gBAAgB,GAAG,SAAS,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC;YACtD,IAAI,gBAAgB,IAAI,SAAS;gBAAE,OAAO,SAAS,CAAC,gBAAgB,CAAC,CAAC;SACzE;KACJ;AACL,CAAC;AAED,SAAS,WAAW,CAAC,GAAW,EAAE,MAAoB,EAAE,KAAoB,EAAE,OAAyB;IACnG,IAAI,GAAG,GAAG,KAAK,CAAC,UAAU,CAAC,GAAG,CAAC,CAAC;IAChC,IAAI,OAAO,EAAE;QACT,IAAM,SAAS,GAAG,YAAY,CAAC,KAAK,CAAC,CAAC;QACtC,IAAM,QAAM,GAAmC,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;QACnE,IAAM,UAAU,GAAa,EAAE,CAAC;QAChC,IAAI,QAAQ,GAAG,CAAC,CAAC;QACjB,KAAgB,UAAmB,EAAnB,KAAA,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,EAAnB,cAAmB,EAAnB,IAAmB,EAAE;YAAhC,IAAM,CAAC,SAAA;YACR,IAAM,KAAK,GAAG,QAAQ,CAAC,CAAC,EAAE,GAAG,EAAE,SAAS,EAAE,OAAO,CAAC,CAAC;YACnD,IAAI,KAAK,EAAE;gBACP,QAAM,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC;gBAClB,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;gBACnB,QAAQ,GAAG,KAAK,CAAC,QAAQ,CAAC;aAC7B;SACJ;QACD,GAAG,GAAG;YACF,QAAQ,UAAA;YACR,IAAI,EAAE,GAAG;YACT,UAAU,iCAAM,UAAU,OAAC;YAC3B,QAAQ,EAAR,UAAS,IAAY;gBACjB,OAAO,QAAM,CAAC,IAAI,CAAC,CAAC;YACxB,CAAC;SACJ,CAAC;KACL;IACD,OAAO,IAAI,aAAa,CAAC,GAAG,IAAI,IAAI,CAAC,WAAW,CAAC,KAAK,CAAC,GAAG,CAAC,EAAE,MAAM,EAAE,CAAC,CAAC,GAAG,CAAC,CAAC;AAChF,CAAC"}
|
|
@@ -587,7 +587,7 @@ function handleLoop(tokenizer, ctx) {
|
|
|
587
587
|
return [2 /*return*/, {
|
|
588
588
|
hasError: true,
|
|
589
589
|
errorLine: tokenizer.lineNumber,
|
|
590
|
-
errorMessage: "The number of values for loop starting at line "
|
|
590
|
+
errorMessage: "The number of values for loop starting at line ".concat(loopLine, " is not a multiple of the number of columns.")
|
|
591
591
|
}];
|
|
592
592
|
}
|
|
593
593
|
rowCount = (state.tokenCount / fieldCount) | 0;
|
|
@@ -707,7 +707,7 @@ function parseInternal(data, runtimeCtx) {
|
|
|
707
707
|
case 7:
|
|
708
708
|
// Check if the latest save frame was closed.
|
|
709
709
|
if (tokenizer.inSaveFrame) {
|
|
710
|
-
return [2 /*return*/, error(tokenizer.lineNumber, "Unfinished save frame ("
|
|
710
|
+
return [2 /*return*/, error(tokenizer.lineNumber, "Unfinished save frame (".concat(saveFrame.header, ")."))];
|
|
711
711
|
}
|
|
712
712
|
if (blockCtx.categoryNames.length > 0 || saveFrames.length > 0) {
|
|
713
713
|
dataBlocks.push(CifBlock(blockCtx, blockHeader, saveFrames));
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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+
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|
|
@@ -125,7 +125,7 @@ function _parseDcd(data) {
|
|
|
125
125
|
// xyz coordinates
|
|
126
126
|
for (var j = 0; j < 3; ++j) {
|
|
127
127
|
if (dv.getInt32(nextPos, ef) !== natom4) {
|
|
128
|
-
throw new Error("dcd bad format, coord block start: "
|
|
128
|
+
throw new Error("dcd bad format, coord block start: ".concat(i, ", ").concat(j));
|
|
129
129
|
}
|
|
130
130
|
nextPos += 4; // block start
|
|
131
131
|
var c = new Float32Array(data.buffer, nextPos, natom);
|
|
@@ -137,7 +137,7 @@ function _parseDcd(data) {
|
|
|
137
137
|
frame.z = c;
|
|
138
138
|
nextPos += natom4;
|
|
139
139
|
if (dv.getInt32(nextPos, ef) !== natom4) {
|
|
140
|
-
throw new Error("dcd bad format, coord block end: "
|
|
140
|
+
throw new Error("dcd bad format, coord block end: ".concat(i, ", ").concat(j));
|
|
141
141
|
}
|
|
142
142
|
nextPos += 4; // block end
|
|
143
143
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"parser.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/dcd/parser.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,oCAAmD;AACnD,8CAAyC;AAEzC,8CAAoD;AA6BpD,SAAgB,SAAS,CAAC,IAAgB;IACtC,qEAAqE;IAErE,0CAA0C;IAC1C,gEAAgE;IAChE,0EAA0E;IAC1E,6EAA6E;IAC7E,mCAAmC;IACnC,uEAAuE;IACvE,6EAA6E;IAC7E,wBAAwB;IACxB,4BAA4B;IAC5B,wBAAwB;IACxB,6EAA6E;IAC7E,QAAQ;IACR,SAAS;IACT,MAAM;IACN,6EAA6E;IAC7E,mCAAmC;IACnC,kBAAkB;IAClB,kBAAkB;IAClB,6EAA6E;IAE7E,IAAM,EAAE,GAAG,IAAI,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;IAErC,IAAM,MAAM,GAAuB,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IACvD,IAAM,MAAM,GAAe,EAAE,CAAC;IAE9B,IAAI,OAAO,GAAG,CAAC,CAAC;IAEhB,eAAe;IAEf,IAAM,OAAO,GAAG,IAAI,UAAU,CAAC,IAAI,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC;IACnD,IAAM,EAAE,GAAG,OAAO,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,iBAAiB;IAC3D,+DAA+D;IAC/D,IAAI,OAAO,CAAC,CAAC,CAAC,KAAK,EAAE,EAAE;QACnB,IAAM,CAAC,GAAG,IAAI,CAAC,UAAU,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE;YAC3B,EAAE,CAAC,UAAU,CAAC,CAAC,EAAE,EAAE,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC;SAC5C;KACJ;IACD,IAAI,OAAO,CAAC,CAAC,CAAC,KAAK,EAAE,EAAE;QACnB,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;KACzD;IAED,uCAAuC;IACvC,IAAM,YAAY,GAAG,MAAM,CAAC,YAAY,CACpC,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,EAC9B,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,CACjC,CAAC;IACF,IAAI,YAAY,KAAK,MAAM,EAAE;QACzB,MAAM,IAAI,KAAK,CAAC,+BAA+B,CAAC,CAAC;KACpD;IACD,IAAI,QAAQ,GAAG,KAAK,CAAC;IACrB,IAAI,UAAU,GAAG,KAAK,CAAC;IACvB,IAAI,QAAQ,GAAG,KAAK,CAAC;IACrB,4CAA4C;IAC5C,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE;QACnB,QAAQ,GAAG,IAAI,CAAC;QAChB,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,CAAC;YAAE,UAAU,GAAG,IAAI,CAAC;QACzC,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,CAAC;YAAE,QAAQ,GAAG,IAAI,CAAC;KAC1C;IACD,MAAM,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;IACzB,MAAM,CAAC,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;IAC3B,MAAM,CAAC,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;IAC1B,MAAM,CAAC,KAAK,GAAG,OAAO,CAAC,EAAE,CAAC,CAAC;IAE3B,IAAI,QAAQ,EAAE;QACV,MAAM,CAAC,KAAK,GAAG,EAAE,CAAC,UAAU,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;KACxC;SAAM;QACH,MAAM,CAAC,KAAK,GAAG,EAAE,CAAC,UAAU,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;KACxC;IAED,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,EAAE,EAAE;QACpB,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACvD;IACD,OAAO,GAAG,OAAO,GAAG,EAAE,GAAG,CAAC,GAAG,CAAC,CAAC;IAE/B,cAAc;IAEd,IAAM,QAAQ,GAAG,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,CAAC;IAC1C,IAAM,UAAU,GAAG,OAAO,GAAG,CAAC,CAAC;IAC/B,IAAI,CAAC,QAAQ,GAAG,CAAC,CAAC,GAAG,EAAE,KAAK,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,mCAAmC,CAAC,CAAC;KACxD;IACD,MAAM,CAAC,KAAK,GAAG,IAAA,sBAAa,EAAC,IAAI,CAAC,QAAQ,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;IAClE,IAAI,EAAE,CAAC,QAAQ,CAAC,UAAU,GAAG,QAAQ,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,KAAK,QAAQ,EAAE;QAC7D,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACtD;IAED,OAAO,GAAG,OAAO,GAAG,QAAQ,GAAG,CAAC,CAAC;IAEjC,cAAc;IAEd,IAAI,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,KAAK,CAAC,EAAE;QAChC,MAAM,IAAI,KAAK,CAAC,mCAAmC,CAAC,CAAC;KACxD;IACD,MAAM,CAAC,KAAK,GAAG,EAAE,CAAC,QAAQ,CAAC,OAAO,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC;IAC5C,IAAI,EAAE,CAAC,QAAQ,CAAC,OAAO,GAAG,CAAC,EAAE,EAAE,CAAC,KAAK,CAAC,EAAE;QACpC,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACtD;IACD,OAAO,GAAG,OAAO,GAAG,CAAC,GAAG,CAAC,CAAC;IAE1B,oBAAoB;IAEpB,IAAI,MAAM,CAAC,KAAK,GAAG,CAAC,EAAE;QAClB,mDAAmD;QACnD,MAAM,IAAI,KAAK,CAAC,mDAAmD,CAAC,CAAC;KACxE;IAED,SAAS;IACT,IAAM,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC;IAC3B,IAAM,MAAM,GAAG,KAAK,GAAG,CAAC,CAAC;IAEzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;QACzC,IAAM,KAAK,GAAsB,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;QACrD,KAAK,CAAC,YAAY,GAAG,KAAK,CAAC;QAE3B,IAAI,UAAU,EAAE;YACZ,OAAO,IAAI,CAAC,CAAC,CAAC,cAAc;YAC5B,KAAK,CAAC,IAAI,GAAG;gBACT,EAAE,CAAC,UAAU,CAAC,OAAO,EAAE,EAAE,CAAC;gBAC1B,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,EAAE,EAAE,CAAC;gBAC9B,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;gBAClC,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;gBAClC,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;gBAClC,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;aAC5B,CAAC;YACX,OAAO,IAAI,EAAE,CAAC;YACd,OAAO,IAAI,CAAC,CAAC,CAAC,YAAY;SAC7B;QAED,kBAAkB;QAClB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;YACxB,IAAI,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,KAAK,MAAM,EAAE;gBACrC,MAAM,IAAI,KAAK,CAAC,
|
|
1
|
+
{"version":3,"file":"parser.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/dcd/parser.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,oCAAmD;AACnD,8CAAyC;AAEzC,8CAAoD;AA6BpD,SAAgB,SAAS,CAAC,IAAgB;IACtC,qEAAqE;IAErE,0CAA0C;IAC1C,gEAAgE;IAChE,0EAA0E;IAC1E,6EAA6E;IAC7E,mCAAmC;IACnC,uEAAuE;IACvE,6EAA6E;IAC7E,wBAAwB;IACxB,4BAA4B;IAC5B,wBAAwB;IACxB,6EAA6E;IAC7E,QAAQ;IACR,SAAS;IACT,MAAM;IACN,6EAA6E;IAC7E,mCAAmC;IACnC,kBAAkB;IAClB,kBAAkB;IAClB,6EAA6E;IAE7E,IAAM,EAAE,GAAG,IAAI,QAAQ,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;IAErC,IAAM,MAAM,GAAuB,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;IACvD,IAAM,MAAM,GAAe,EAAE,CAAC;IAE9B,IAAI,OAAO,GAAG,CAAC,CAAC;IAEhB,eAAe;IAEf,IAAM,OAAO,GAAG,IAAI,UAAU,CAAC,IAAI,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC;IACnD,IAAM,EAAE,GAAG,OAAO,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,iBAAiB;IAC3D,+DAA+D;IAC/D,IAAI,OAAO,CAAC,CAAC,CAAC,KAAK,EAAE,EAAE;QACnB,IAAM,CAAC,GAAG,IAAI,CAAC,UAAU,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE;YAC3B,EAAE,CAAC,UAAU,CAAC,CAAC,EAAE,EAAE,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC;SAC5C;KACJ;IACD,IAAI,OAAO,CAAC,CAAC,CAAC,KAAK,EAAE,EAAE;QACnB,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;KACzD;IAED,uCAAuC;IACvC,IAAM,YAAY,GAAG,MAAM,CAAC,YAAY,CACpC,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,EAC9B,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,EAAE,CAAC,QAAQ,CAAC,CAAC,CAAC,CACjC,CAAC;IACF,IAAI,YAAY,KAAK,MAAM,EAAE;QACzB,MAAM,IAAI,KAAK,CAAC,+BAA+B,CAAC,CAAC;KACpD;IACD,IAAI,QAAQ,GAAG,KAAK,CAAC;IACrB,IAAI,UAAU,GAAG,KAAK,CAAC;IACvB,IAAI,QAAQ,GAAG,KAAK,CAAC;IACrB,4CAA4C;IAC5C,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE;QACnB,QAAQ,GAAG,IAAI,CAAC;QAChB,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,CAAC;YAAE,UAAU,GAAG,IAAI,CAAC;QACzC,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,CAAC;YAAE,QAAQ,GAAG,IAAI,CAAC;KAC1C;IACD,MAAM,CAAC,IAAI,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;IACzB,MAAM,CAAC,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;IAC3B,MAAM,CAAC,KAAK,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;IAC1B,MAAM,CAAC,KAAK,GAAG,OAAO,CAAC,EAAE,CAAC,CAAC;IAE3B,IAAI,QAAQ,EAAE;QACV,MAAM,CAAC,KAAK,GAAG,EAAE,CAAC,UAAU,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;KACxC;SAAM;QACH,MAAM,CAAC,KAAK,GAAG,EAAE,CAAC,UAAU,CAAC,EAAE,EAAE,EAAE,CAAC,CAAC;KACxC;IAED,IAAI,OAAO,CAAC,EAAE,CAAC,KAAK,EAAE,EAAE;QACpB,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACvD;IACD,OAAO,GAAG,OAAO,GAAG,EAAE,GAAG,CAAC,GAAG,CAAC,CAAC;IAE/B,cAAc;IAEd,IAAM,QAAQ,GAAG,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,CAAC;IAC1C,IAAM,UAAU,GAAG,OAAO,GAAG,CAAC,CAAC;IAC/B,IAAI,CAAC,QAAQ,GAAG,CAAC,CAAC,GAAG,EAAE,KAAK,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,mCAAmC,CAAC,CAAC;KACxD;IACD,MAAM,CAAC,KAAK,GAAG,IAAA,sBAAa,EAAC,IAAI,CAAC,QAAQ,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CAAC;IAClE,IAAI,EAAE,CAAC,QAAQ,CAAC,UAAU,GAAG,QAAQ,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,KAAK,QAAQ,EAAE;QAC7D,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACtD;IAED,OAAO,GAAG,OAAO,GAAG,QAAQ,GAAG,CAAC,CAAC;IAEjC,cAAc;IAEd,IAAI,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,KAAK,CAAC,EAAE;QAChC,MAAM,IAAI,KAAK,CAAC,mCAAmC,CAAC,CAAC;KACxD;IACD,MAAM,CAAC,KAAK,GAAG,EAAE,CAAC,QAAQ,CAAC,OAAO,GAAG,CAAC,EAAE,EAAE,CAAC,CAAC;IAC5C,IAAI,EAAE,CAAC,QAAQ,CAAC,OAAO,GAAG,CAAC,EAAE,EAAE,CAAC,KAAK,CAAC,EAAE;QACpC,MAAM,IAAI,KAAK,CAAC,iCAAiC,CAAC,CAAC;KACtD;IACD,OAAO,GAAG,OAAO,GAAG,CAAC,GAAG,CAAC,CAAC;IAE1B,oBAAoB;IAEpB,IAAI,MAAM,CAAC,KAAK,GAAG,CAAC,EAAE;QAClB,mDAAmD;QACnD,MAAM,IAAI,KAAK,CAAC,mDAAmD,CAAC,CAAC;KACxE;IAED,SAAS;IACT,IAAM,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC;IAC3B,IAAM,MAAM,GAAG,KAAK,GAAG,CAAC,CAAC;IAEzB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,CAAC,IAAI,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;QACzC,IAAM,KAAK,GAAsB,MAAM,CAAC,MAAM,CAAC,IAAI,CAAC,CAAC;QACrD,KAAK,CAAC,YAAY,GAAG,KAAK,CAAC;QAE3B,IAAI,UAAU,EAAE;YACZ,OAAO,IAAI,CAAC,CAAC,CAAC,cAAc;YAC5B,KAAK,CAAC,IAAI,GAAG;gBACT,EAAE,CAAC,UAAU,CAAC,OAAO,EAAE,EAAE,CAAC;gBAC1B,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,EAAE,EAAE,CAAC;gBAC9B,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;gBAClC,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;gBAClC,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;gBAClC,EAAE,CAAC,UAAU,CAAC,OAAO,GAAG,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC;aAC5B,CAAC;YACX,OAAO,IAAI,EAAE,CAAC;YACd,OAAO,IAAI,CAAC,CAAC,CAAC,YAAY;SAC7B;QAED,kBAAkB;QAClB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,CAAC,EAAE,EAAE,CAAC,EAAE;YACxB,IAAI,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,KAAK,MAAM,EAAE;gBACrC,MAAM,IAAI,KAAK,CAAC,6CAAsC,CAAC,eAAK,CAAC,CAAE,CAAC,CAAC;aACpE;YACD,OAAO,IAAI,CAAC,CAAC,CAAC,cAAc;YAC5B,IAAM,CAAC,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,MAAM,EAAE,OAAO,EAAE,KAAK,CAAC,CAAC;YACxD,IAAI,CAAC,KAAK,CAAC;gBAAE,KAAK,CAAC,CAAC,GAAG,CAAC,CAAC;iBACpB,IAAI,CAAC,KAAK,CAAC;gBAAE,KAAK,CAAC,CAAC,GAAG,CAAC,CAAC;;gBACzB,KAAK,CAAC,CAAC,GAAG,CAAC,CAAC;YAEjB,OAAO,IAAI,MAAM,CAAC;YAClB,IAAI,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,KAAK,MAAM,EAAE;gBACrC,MAAM,IAAI,KAAK,CAAC,2CAAoC,CAAC,eAAK,CAAC,CAAE,CAAC,CAAC;aAClE;YACD,OAAO,IAAI,CAAC,CAAC,CAAC,YAAY;SAC7B;QAED,IAAI,QAAQ,EAAE;YACV,IAAM,KAAK,GAAG,EAAE,CAAC,QAAQ,CAAC,OAAO,EAAE,EAAE,CAAC,CAAC;YACvC,OAAO,IAAI,CAAC,GAAG,KAAK,GAAG,CAAC,CAAC,CAAC,iCAAiC;SAC9D;QAED,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;KACtB;IACD,OAAO,EAAE,MAAM,QAAA,EAAE,MAAM,QAAA,EAAE,CAAC;AAC9B,CAAC;AA9JD,8BA8JC;AAED,SAAgB,QAAQ,CAAC,IAAgB;IAAzC,iBASC;IARG,OAAO,eAAI,CAAC,MAAM,CAAkB,WAAW,EAAE,UAAM,GAAG;;;YACtD,IAAI;gBACM,OAAO,GAAG,SAAS,CAAC,IAAI,CAAC,CAAC;gBAChC,sBAAO,qBAAM,CAAC,OAAO,CAAC,OAAO,CAAC,EAAC;aAClC;YAAC,OAAO,CAAC,EAAE;gBACR,sBAAO,qBAAM,CAAC,KAAK,CAAC,CAAC,CAAC,EAAC;aAC1B;;;SACJ,CAAC,CAAC;AACP,CAAC;AATD,4BASC"}
|
|
@@ -24,7 +24,7 @@ export declare const PlyTypeByteLength: {
|
|
|
24
24
|
};
|
|
25
25
|
export declare type PlyType = keyof typeof PlyTypeByteLength;
|
|
26
26
|
export declare const PlyTypes: Set<string>;
|
|
27
|
-
export declare function PlyType(str: string): "
|
|
27
|
+
export declare function PlyType(str: string): "ushort" | "float" | "int" | "float32" | "uint8" | "int32" | "uint16" | "uint32" | "char" | "double" | "int8" | "uchar" | "short" | "uint" | "int16" | "float64";
|
|
28
28
|
export interface PlyFile {
|
|
29
29
|
readonly comments: ReadonlyArray<string>;
|
|
30
30
|
readonly elementNames: ReadonlyArray<string>;
|
|
@@ -29,7 +29,7 @@ exports.PlyTypeByteLength = {
|
|
|
29
29
|
exports.PlyTypes = new Set(Object.keys(exports.PlyTypeByteLength));
|
|
30
30
|
function PlyType(str) {
|
|
31
31
|
if (!exports.PlyTypes.has(str))
|
|
32
|
-
throw new Error("unknown ply type '"
|
|
32
|
+
throw new Error("unknown ply type '".concat(str, "'"));
|
|
33
33
|
return str;
|
|
34
34
|
}
|
|
35
35
|
exports.PlyType = PlyType;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"schema.js","sourceRoot":"","sources":["../../../../../src/mol-io/reader/ply/schema.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAIH,yCAAyC;AACzC,kDAAkD;AAErC,QAAA,iBAAiB,GAAG;IAC7B,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,KAAK,EAAE,CAAC;IACR,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IAEX,MAAM,EAAE,CAAC;IACT,OAAO,EAAE,CAAC;IACV,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,OAAO,EAAE,CAAC;IACV,QAAQ,EAAE,CAAC;IACX,SAAS,EAAE,CAAC;IACZ,SAAS,EAAE,CAAC;CACf,CAAC;AAEW,QAAA,QAAQ,GAAG,IAAI,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,yBAAiB,CAAC,CAAC,CAAC;AAChE,SAAgB,OAAO,CAAC,GAAW;IAC/B,IAAI,CAAC,gBAAQ,CAAC,GAAG,CAAC,GAAG,CAAC;QAAE,MAAM,IAAI,KAAK,CAAC,
|
|
1
|
+
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@@ -1 +1 @@
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1
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1
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