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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- package/lib/servers/model/server/structure-wrapper.js +6 -6
- package/lib/servers/model/server/structure-wrapper.js.map +1 -1
- package/lib/servers/model/server.js +3 -3
- package/lib/servers/model/server.js.map +1 -1
- package/lib/servers/model/utils/fetch-props-pdbe.js +4 -4
- package/lib/servers/model/utils/fetch-props-pdbe.js.map +1 -1
- package/lib/servers/model/utils/writer.js +2 -2
- package/lib/servers/model/utils/writer.js.map +1 -1
- package/lib/servers/plugin-state/api-schema.js +2 -2
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- package/lib/servers/volume/pack/main.js +4 -4
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- package/lib/servers/volume/pack/writer.js.map +1 -1
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- package/lib/servers/volume/server/api.js +7 -7
- package/lib/servers/volume/server/api.js.map +1 -1
- package/lib/servers/volume/server/local-api.js +1 -1
- package/lib/servers/volume/server/local-api.js.map +1 -1
- package/lib/servers/volume/server/query/encode.js +3 -3
- package/lib/servers/volume/server/query/encode.js.map +1 -1
- package/lib/servers/volume/server/query/execute.js +5 -5
- package/lib/servers/volume/server/query/execute.js.map +1 -1
- package/lib/servers/volume/server/version.js +1 -1
- package/lib/servers/volume/server/version.js.map +1 -1
- package/lib/servers/volume/server/web-api.js +7 -7
- package/lib/servers/volume/server/web-api.js.map +1 -1
- package/lib/servers/volume/server/web-schema.js +6 -6
- package/lib/servers/volume/server/web-schema.js.map +1 -1
- package/lib/servers/volume/server.js +2 -2
- package/lib/servers/volume/server.js.map +1 -1
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- package/lib/tests/browser/font-atlas.js.map +1 -1
- package/lib/tests/browser/index.html +36 -36
- package/lib/tests/browser/render-shape.js +1 -1
- package/lib/tests/browser/render-shape.js.map +1 -1
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- package/lib/tests/browser/render-structure.js.map +1 -1
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- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.js +0 -40
- package/lib/commonjs/mol-model/structure/model/properties/utils/guess-element.js.map +0 -1
- package/lib/commonjs/mol-repr/structure/visual/aromatic-ring-mesh.js +0 -3
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return atomId1 < atomId2 ? "".concat(compId, ":").concat(atomId1, "-").concat(atomId2) : "".concat(compId, ":").concat(atomId2, "-").concat(atomId1);
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+
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@@ -27,7 +27,7 @@ function ensureAvailable(path, url, forceDownload) {
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return [4 /*yield*/, (0, node_fetch_1.default)(url)];
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@@ -52,7 +52,7 @@ function ensureAvailable(path, url, forceDownload) {
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console.log("done downloading ".concat(url));
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@@ -1 +1 @@
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-
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/util.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,sDAA6B;AAC7B,sDAA6B;AAC7B,kDAAyB;AACzB,sDAA6B;AAC7B,uEAA+B;AAC/B,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,QAAQ,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;AAC7C,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAE/C,2CAA0C;AAE1C,+CAA8C;AAC9C,+CAAoD;AACpD,0DAAgE;AAEhE,SAAsB,eAAe,CAAC,IAAY,EAAE,GAAW,EAAE,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;;;yBAC9E,CAAA,aAAa,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,IAAI,CAAC,CAAA,EAArC,wBAAqC;oBACrC,OAAO,CAAC,GAAG,CAAC,
|
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1
|
+
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../../src/cli/chem-comp-dict/util.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;;AAEH,sDAA6B;AAC7B,sDAA6B;AAC7B,kDAAyB;AACzB,sDAA6B;AAC7B,uEAA+B;AAC/B,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,QAAQ,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;AAC7C,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAE/C,2CAA0C;AAE1C,+CAA8C;AAC9C,+CAAoD;AACpD,0DAAgE;AAEhE,SAAsB,eAAe,CAAC,IAAY,EAAE,GAAW,EAAE,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;;;yBAC9E,CAAA,aAAa,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,IAAI,CAAC,CAAA,EAArC,wBAAqC;oBACrC,OAAO,CAAC,GAAG,CAAC,sBAAe,GAAG,QAAK,CAAC,CAAC;oBACxB,qBAAM,IAAA,oBAAK,EAAC,GAAG,CAAC,EAAA;;oBAAvB,IAAI,GAAG,SAAgB;oBAC7B,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,QAAQ,CAAC,EAAE;wBAC1B,EAAE,CAAC,SAAS,CAAC,QAAQ,CAAC,CAAC;qBAC1B;yBACG,GAAG,CAAC,QAAQ,CAAC,KAAK,CAAC,EAAnB,wBAAmB;oBACb,KAAA,SAAS,CAAA;0BAAC,IAAI;oBAAE,KAAA,CAAA,KAAA,IAAI,CAAA,CAAC,UAAU,CAAA;oBAAC,qBAAM,IAAI,CAAC,MAAM,EAAE,EAAA;wBAAzD,qBAAM,4BAAgB,cAAgB,SAAmB,EAAC,GAAC,EAAA;;oBAA3D,SAA2D,CAAC;;;oBAEtD,KAAA,SAAS,CAAA;0BAAC,IAAI;oBAAE,qBAAM,IAAI,CAAC,IAAI,EAAE,EAAA;wBAAvC,qBAAM,4BAAgB,SAAiB,GAAC,EAAA;;oBAAxC,SAAwC,CAAC;;;oBAE7C,OAAO,CAAC,GAAG,CAAC,2BAAoB,GAAG,CAAE,CAAC,CAAC;;;;;;CAE9C;AAdD,0CAcC;AAED,SAAsB,mBAAmB,CAAC,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;wBAC3D,qBAAM,eAAe,CAAC,QAAQ,EAAE,OAAO,EAAE,aAAa,CAAC,EAAA;;oBAAvD,SAAuD,CAAC;oBACxD,qBAAM,eAAe,CAAC,SAAS,EAAE,QAAQ,EAAE,aAAa,CAAC,EAAA;;oBAAzD,SAAyD,CAAC;;;;;CAC7D;AAHD,kDAGC;AAED,SAAsB,oBAAoB,CAA4B,IAAY,EAAE,MAAS;;;;;;oBACpE,KAAA,QAAQ,CAAA;oBAAC,qBAAM,QAAQ,CAAC,IAAI,EAAE,MAAM,CAAC,EAAA;wBAA3C,qBAAM,kBAAS,SAA4B,EAAC,EAAA;;oBAArD,MAAM,GAAG,SAA4C;oBAC3D,sBAAO,SAAG,CAAC,oBAAoB,CAAC,MAAM,EAAE,MAAM,CAAC,MAAM,CAAC,EAAC;;;;CAC1D;AAHD,oDAGC;AAED,SAAsB,OAAO;;;YACzB,sBAAO,oBAAoB,CAAC,QAAQ,EAAE,gBAAU,CAAC,EAAC;;;CACrD;AAFD,0BAEC;AAED,SAAsB,QAAQ;;;YAC1B,sBAAO,oBAAoB,CAAC,SAAS,EAAE,gBAAU,CAAC,EAAC;;;CACtD;AAFD,4BAEC;AAED,SAAe,QAAQ,CAAC,IAAyB;;;;;;oBACvC,IAAI,GAAG,SAAG,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;oBAC7B,OAAO,CAAC,IAAI,CAAC,WAAW,CAAC,CAAC;oBACX,qBAAM,IAAI,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,OAAO,CAAC,GAAG,CAAC,mBAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,EAA/B,CAA+B,EAAE,GAAG,CAAC,EAAA;;oBAAlE,MAAM,GAAG,SAAyD;oBACxE,OAAO,CAAC,OAAO,CAAC,WAAW,CAAC,CAAC;oBAC7B,IAAI,MAAM,CAAC,OAAO;wBAAE,MAAM,MAAM,CAAC;oBACjC,sBAAO,MAAM,EAAC;;;;CACjB;AAED,SAAgB,aAAa,CAAC,IAAY,EAAE,QAAmC,EAAE,MAAc;IAAd,uBAAA,EAAA,cAAc;IAC3F,IAAM,OAAO,GAAG,eAAS,CAAC,aAAa,CAAC,EAAE,MAAM,QAAA,EAAE,WAAW,EAAE,MAAM,EAAE,CAAC,CAAC;IACzE,eAAS,CAAC,OAAO,CAAC,aAAa,CAAC,OAAO,EAAE,IAAI,EAAE,QAAQ,CAAC,CAAC;IACzD,OAAO,OAAO,CAAC,OAAO,EAAE,CAAC;AAC7B,CAAC;AAJD,sCAIC;AAED,IAAM,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,SAAS,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,YAAY,CAAC,CAAC;AAC5E,IAAM,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,QAAQ,EAAE,gBAAgB,CAAC,CAAC;AACvD,IAAM,SAAS,GAAG,IAAI,CAAC,IAAI,CAAC,QAAQ,EAAE,oBAAoB,CAAC,CAAC;AAC5D,IAAM,OAAO,GAAG,2DAA2D,CAAC;AAC5E,IAAM,QAAQ,GAAG,+DAA+D,CAAC"}
|
|
@@ -17,8 +17,8 @@ var mol_task_1 = require("../../mol-task");
|
|
|
17
17
|
var binary_cif_1 = require("../../mol-io/common/binary-cif");
|
|
18
18
|
var encoder_1 = require("../../mol-io/writer/cif/encoder");
|
|
19
19
|
function showProgress(p) {
|
|
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|
-
process.stdout.write("\r"
|
|
21
|
-
process.stdout.write("\r"
|
|
20
|
+
process.stdout.write("\r".concat(new Array(80).join(' ')));
|
|
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|
+
process.stdout.write("\r".concat(mol_task_1.Progress.format(p)));
|
|
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22
|
}
|
|
23
23
|
var readFileAsync = util.promisify(fs.readFile);
|
|
24
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|
var unzipAsync = util.promisify(zlib.unzip);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"converter.js","sourceRoot":"","sources":["../../../../src/cli/cif2bcif/converter.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,+CAA+F;AAC/F,+CAA0E;AAC1E,sDAA6B;AAC7B,kDAAyB;AACzB,sDAA6B;AAC7B,2CAAgE;AAChE,6DAAsF;AAEtF,2DAA2D;AAG3D,SAAS,YAAY,CAAC,CAAW;IAC7B,OAAO,CAAC,MAAM,CAAC,KAAK,CAAC,
|
|
1
|
+
{"version":3,"file":"converter.js","sourceRoot":"","sources":["../../../../src/cli/cif2bcif/converter.ts"],"names":[],"mappings":";AAAA;;;;;GAKG;;;;AAEH,+CAA+F;AAC/F,+CAA0E;AAC1E,sDAA6B;AAC7B,kDAAyB;AACzB,sDAA6B;AAC7B,2CAAgE;AAChE,6DAAsF;AAEtF,2DAA2D;AAG3D,SAAS,YAAY,CAAC,CAAW;IAC7B,OAAO,CAAC,MAAM,CAAC,KAAK,CAAC,YAAK,IAAI,KAAK,CAAC,EAAE,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,CAAE,CAAC,CAAC;IACrD,OAAO,CAAC,MAAM,CAAC,KAAK,CAAC,YAAK,mBAAQ,CAAC,MAAM,CAAC,CAAC,CAAC,CAAE,CAAC,CAAC;AACpD,CAAC;AAED,IAAM,aAAa,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,QAAQ,CAAC,CAAC;AAClD,IAAM,UAAU,GAAG,IAAI,CAAC,SAAS,CAAyB,IAAI,CAAC,KAAK,CAAC,CAAC;AAEtE,SAAe,QAAQ,CAAC,GAAmB,EAAE,QAAgB;;;;;;oBACnD,IAAI,GAAG,QAAQ,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;yBACjC,QAAQ,CAAC,KAAK,CAAC,QAAQ,CAAC,EAAxB,wBAAwB;oBACZ,qBAAM,aAAa,CAAC,QAAQ,CAAC,EAAA;;oBAArC,KAAK,GAAG,SAA6B;yBACrC,IAAI,EAAJ,wBAAI;oBAAU,qBAAM,UAAU,CAAC,KAAK,CAAC,EAAA;;oBAA/B,KAAK,GAAG,SAAuB,CAAC;;wBACnC,qBAAM,SAAG,CAAC,WAAW,CAAC,IAAI,UAAU,CAAC,KAAK,CAAC,CAAC,CAAC,YAAY,CAAC,GAAG,CAAC,EAAA;wBAArE,sBAAO,SAA8D,EAAC;;oBAElE,GAAG,SAAQ,CAAC;yBACZ,IAAI,EAAJ,wBAAI;oBACe,KAAA,UAAU,CAAA;oBAAC,qBAAM,aAAa,CAAC,QAAQ,CAAC,EAAA;wBAA9C,qBAAM,kBAAW,SAA6B,EAAC,EAAA;;oBAAtD,IAAI,GAAG,SAA+C;oBAC5D,GAAG,GAAG,IAAI,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC;;wBAEtB,qBAAM,aAAa,CAAC,QAAQ,EAAE,MAAM,CAAC,EAAA;;oBAA3C,GAAG,GAAG,SAAqC,CAAC;;yBAEzC,qBAAM,SAAG,CAAC,SAAS,CAAC,GAAG,CAAC,CAAC,YAAY,CAAC,GAAG,CAAC,EAAA;yBAAjD,sBAAO,SAA0C,EAAC;;;;CAEzD;AAED,SAAe,MAAM,CAAC,GAAmB,EAAE,QAAgB;;;;;wBACxC,qBAAM,QAAQ,CAAC,GAAG,EAAE,QAAQ,CAAC,EAAA;;oBAAtC,MAAM,GAAG,SAA6B;oBAC5C,IAAI,MAAM,CAAC,OAAO,EAAE;wBAChB,MAAM,IAAI,KAAK,CAAC,MAAM,CAAC,QAAQ,EAAE,CAAC,CAAC;qBACtC;oBACD,sBAAO,MAAM,CAAC,MAAM,EAAC;;;;CACxB;AAED,SAAS,2BAA2B,CAAC,GAAgB,EAAE,MAAyB;IAC5E,OAAO;QACH,IAAI,EAAE,GAAG,CAAC,IAAI;QACd,QAAQ,EAAE,cAAM,OAAA,eAAS,CAAC,gBAAgB,CAAC,MAAM,EAAE,EAAE,IAAI,EAAE,GAAG,EAAE,QAAQ,EAAE,GAAG,CAAC,QAAQ,EAAE,CAAC,EAAzE,CAAyE;KAC5F,CAAC;AACN,CAAC;AAED,SAAS,QAAQ,CAAC,IAAY,EAAE,KAAe;IAC3C,IAAM,IAAI,GAAG,IAAA,qBAAe,EAAC,KAAK,CAAC,CAAC;IACpC,IAAI,IAAI,CAAC,OAAO,CAAC,KAAK,KAAK,EAAE;QACzB,OAAO,EAAE,IAAI,MAAA,EAAE,IAAI,aAA0B,EAAE,KAAK,EAAE,KAAK,CAAC,GAAG,EAAE,SAAS,EAAE,KAAK,CAAC,SAAS,EAAE,CAAC;KACjG;SAAM,IAAI,IAAI,CAAC,OAAO,CAAC,KAAK,OAAO,EAAE;QAClC,IAAM,OAAO,GAAG,IAAA,+BAAkB,EAAC,KAAK,CAAC,YAAY,CAAC,EAAE,KAAK,EAAE,YAAY,EAAE,CAAC,CAAC,CAAC;QAChF,OAAO,eAAS,CAAC,KAAK,CAAC,KAAK,CAAC,IAAI,EAAE,KAAK,CAAC,KAAK,EAAE,EAAE,SAAS,EAAE,KAAK,CAAC,SAAS,EAAE,OAAO,SAAA,EAAE,UAAU,EAAE,YAAY,EAAE,CAAC,CAAC;KACtH;SAAM;QACH,IAAM,OAAO,GAAG,IAAA,6BAAgB,EAAC,KAAK,CAAC,UAAU,CAAC,EAAE,KAAK,EAAE,UAAU,EAAE,CAAC,CAAC,CAAC;QAC1E,OAAO,eAAS,CAAC,KAAK,CAAC,GAAG,CAAC,IAAI,EAAE,KAAK,CAAC,GAAG,EAAE,EAAE,SAAS,EAAE,KAAK,CAAC,SAAS,EAAE,OAAO,SAAA,EAAE,UAAU,EAAE,UAAU,EAAE,CAAC,CAAC;KAChH;AACL,CAAC;AAED,SAAgB,OAAO,CAAC,IAAY,EAAE,MAAc,EAAE,KAA8B,EAAE,MAAe;IAArG,iBA8CC;IA9CqC,uBAAA,EAAA,cAAc;IAChD,OAAO,eAAI,CAAC,MAAM,CAAa,WAAW,EAAE,UAAM,GAAG;;;;;oBAC3C,gBAAgB,GAA2B,KAAK;wBAClD,CAAC,CAAC,eAAS,CAAC,oCAAoC,CAAC,KAAK,CAAC;wBACvD,CAAC,CAAC,EAAE,GAAG,EAAE,UAAC,CAAC,EAAE,CAAC,IAAK,OAAA,KAAK,CAAC,EAAN,CAAM,EAAE,CAAC;oBACpB,qBAAM,MAAM,CAAC,GAAG,EAAE,IAAI,CAAC,EAAA;;oBAA7B,GAAG,GAAG,SAAuB;oBAE7B,OAAO,GAAG,eAAS,CAAC,aAAa,CAAC;wBACpC,MAAM,EAAE,CAAC,MAAM;wBACf,WAAW,EAAE,wBAAwB;wBACrC,0BAA0B,EAAE,IAAI;wBAChC,qBAAqB,EAAE,gBAAgB;qBAC1C,CAAC,CAAC;oBAEH,IAAI,MAAM,EAAE;wBACR,OAAO,CAAC,SAAS,CAAC,kBAAQ,CAAC,QAAQ,CAAC,MAAM,CAAC,CAAC,CAAC;qBAChD;oBAEG,WAAW,GAAG,CAAC,CAAC;oBACpB,WAA0B,EAAV,KAAA,GAAG,CAAC,MAAM,EAAV,cAAU,EAAV,IAAU,EAAE;wBAAjB,CAAC;wBACR,WAAW,IAAI,CAAC,CAAC,aAAa,CAAC,MAAM,CAAC;wBACtC,WAA+B,EAAf,KAAA,CAAC,CAAC,aAAa,EAAf,cAAe,EAAf,IAAe;4BAApB,CAAC;4BAAqB,WAAW,IAAI,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC,UAAU,CAAC,MAAM,CAAC;yBAAA;qBACrF;oBAEG,OAAO,GAAG,CAAC,CAAC;0BACU,EAAV,KAAA,GAAG,CAAC,MAAM;;;yBAAV,CAAA,cAAU,CAAA;oBAAf,CAAC;oBACR,OAAO,CAAC,cAAc,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC;0BACF,EAAf,KAAA,CAAC,CAAC,aAAa;;;yBAAf,CAAA,cAAe,CAAA;oBAApB,CAAC;oBACF,GAAG,GAAG,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC;oBACtB,MAAM,GAAsB,EAAE,CAAC;0BACP,EAAd,KAAA,GAAG,CAAC,UAAU;;;yBAAd,CAAA,cAAc,CAAA;oBAAnB,CAAC;oBACR,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC,EAAE,GAAG,CAAC,QAAQ,CAAC,CAAC,CAAE,CAAC,CAAC,CAAC;oBAC3C,OAAO,EAAE,CAAC;yBACN,GAAG,CAAC,YAAY,EAAhB,wBAAgB;oBAAE,qBAAM,GAAG,CAAC,MAAM,CAAC,EAAE,OAAO,EAAE,aAAa,EAAE,OAAO,SAAA,EAAE,GAAG,EAAE,WAAW,EAAE,CAAC,EAAA;;oBAAvE,SAAuE,CAAC;;;oBAHlF,IAAc,CAAA;;;oBAM9B,OAAO,CAAC,aAAa,CAAC,2BAA2B,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,EAAE,MAAM,CAAC,CAAC,CAAC;oBAC5E,OAAO,EAAE,CAAC;yBACN,GAAG,CAAC,YAAY,EAAhB,wBAAgB;oBAAE,qBAAM,GAAG,CAAC,MAAM,CAAC,EAAE,OAAO,EAAE,aAAa,EAAE,OAAO,SAAA,EAAE,GAAG,EAAE,WAAW,EAAE,CAAC,EAAA;;oBAAvE,SAAuE,CAAC;;;oBAXlF,IAAe,CAAA;;;oBAFnB,IAAU,CAAA;;yBAgB1B,qBAAM,GAAG,CAAC,MAAM,CAAC,cAAc,CAAC,EAAA;;oBAAhC,SAAgC,CAAC;oBAC3B,GAAG,GAAG,OAAO,CAAC,OAAO,EAAgB,CAAC;oBAC5C,qBAAM,GAAG,CAAC,MAAM,CAAC,SAAS,CAAC,EAAA;;oBAA3B,SAA2B,CAAC;oBAC5B,sBAAO,GAAG,EAAC;;;SACd,CAAC,CAAC,GAAG,CAAC,YAAY,EAAE,GAAG,CAAC,CAAC;AAC9B,CAAC;AA9CD,0BA8CC"}
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|
File without changes
|
|
@@ -63,7 +63,7 @@ function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImpo
|
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|
63
63
|
mmcifDicVersion = getDicVersion(mmcifDic.result.blocks[0]);
|
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64
64
|
ihmDicVersion = getDicVersion(ihmDic.result.blocks[0]);
|
|
65
65
|
carbDicVersion = 'draft';
|
|
66
|
-
version = "Dictionary versions: mmCIF "
|
|
66
|
+
version = "Dictionary versions: mmCIF ".concat(mmcifDicVersion, ", IHM ").concat(ihmDicVersion, ", CARB ").concat(carbDicVersion, ".");
|
|
67
67
|
frames = (0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)((0, tslib_1.__spreadArray)([], mmcifDic.result.blocks[0].saveFrames, true), ihmDic.result.blocks[0].saveFrames, true), carbBranchDic.result.blocks[0].saveFrames, true), carbCompDic.result.blocks[0].saveFrames, true);
|
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68
68
|
schema = (0, cif_dic_1.generateSchema)(frames);
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|
69
69
|
return [4 /*yield*/, runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases)];
|
|
@@ -89,7 +89,7 @@ function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbIm
|
|
|
89
89
|
if (cifCoreDic.isError)
|
|
90
90
|
throw cifCoreDic;
|
|
91
91
|
cifCoreDicVersion = getDicVersion(cifCoreDic.result.blocks[0]);
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|
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|
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version = "Dictionary versions: CifCore "
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+
version = "Dictionary versions: CifCore ".concat(cifCoreDicVersion, ".");
|
|
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|
frames = (0, tslib_1.__spreadArray)([], cifCoreDic.result.blocks[0].saveFrames, true);
|
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94
94
|
return [4 /*yield*/, resolveImports(frames, DIC_DIR)];
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95
|
case 3:
|
|
@@ -158,7 +158,7 @@ function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, mo
|
|
|
158
158
|
throw dic;
|
|
159
159
|
dicVersion = getDicVersion(dic.result.blocks[0]);
|
|
160
160
|
dicName = getDicNamespace(dic.result.blocks[0]);
|
|
161
|
-
version = "Dictionary versions: "
|
|
161
|
+
version = "Dictionary versions: ".concat(dicName, " ").concat(dicVersion, ".");
|
|
162
162
|
frames = (0, tslib_1.__spreadArray)([], dic.result.blocks[0].saveFrames, true);
|
|
163
163
|
return [4 /*yield*/, resolveImports(frames, path.dirname(dicPath))];
|
|
164
164
|
case 2:
|
|
@@ -297,7 +297,7 @@ function ensureDicAvailable(dicPath, dicUrl) {
|
|
|
297
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|
case 0:
|
|
298
298
|
if (!(FORCE_DIC_DOWNLOAD || !fs.existsSync(dicPath))) return [3 /*break*/, 3];
|
|
299
299
|
name_1 = dicUrl.substr(dicUrl.lastIndexOf('/') + 1);
|
|
300
|
-
console.log("downloading "
|
|
300
|
+
console.log("downloading ".concat(name_1, "..."));
|
|
301
301
|
return [4 /*yield*/, (0, node_fetch_1.default)(dicUrl)];
|
|
302
302
|
case 1:
|
|
303
303
|
data = _d.sent();
|
|
@@ -309,7 +309,7 @@ function ensureDicAvailable(dicPath, dicUrl) {
|
|
|
309
309
|
return [4 /*yield*/, data.text()];
|
|
310
310
|
case 2:
|
|
311
311
|
_b.apply(_a, _c.concat([_d.sent()]));
|
|
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|
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console.log("done downloading "
|
|
312
|
+
console.log("done downloading ".concat(name_1));
|
|
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|
_d.label = 3;
|
|
314
314
|
case 3: return [2 /*return*/];
|
|
315
315
|
}
|
|
@@ -317,19 +317,19 @@ function ensureDicAvailable(dicPath, dicUrl) {
|
|
|
317
317
|
});
|
|
318
318
|
}
|
|
319
319
|
var DIC_DIR = path.resolve(__dirname, '../../../../build/dics/');
|
|
320
|
-
var MMCIF_DIC_PATH = DIC_DIR
|
|
320
|
+
var MMCIF_DIC_PATH = "".concat(DIC_DIR, "/mmcif_pdbx_v50.dic");
|
|
321
321
|
var MMCIF_DIC_URL = 'http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic';
|
|
322
|
-
var IHM_DIC_PATH = DIC_DIR
|
|
322
|
+
var IHM_DIC_PATH = "".concat(DIC_DIR, "/ihm-extension.dic");
|
|
323
323
|
var IHM_DIC_URL = 'https://raw.githubusercontent.com/ihmwg/IHM-dictionary/master/ihm-extension.dic';
|
|
324
|
-
var CARB_BRANCH_DIC_PATH = DIC_DIR
|
|
324
|
+
var CARB_BRANCH_DIC_PATH = "".concat(DIC_DIR, "/entity_branch-extension.dic");
|
|
325
325
|
var CARB_BRANCH_DIC_URL = 'https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/entity_branch-extension.dic';
|
|
326
|
-
var CARB_COMP_DIC_PATH = DIC_DIR
|
|
326
|
+
var CARB_COMP_DIC_PATH = "".concat(DIC_DIR, "/chem_comp-extension.dic");
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327
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var CARB_COMP_DIC_URL = 'https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/chem_comp-extension.dic';
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328
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-
var CIF_CORE_DIC_PATH = DIC_DIR
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328
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+
var CIF_CORE_DIC_PATH = "".concat(DIC_DIR, "/cif_core.dic");
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329
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var CIF_CORE_DIC_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic';
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330
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-
var CIF_CORE_ENUM_PATH = DIC_DIR
|
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330
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+
var CIF_CORE_ENUM_PATH = "".concat(DIC_DIR, "/templ_enum.cif");
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331
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var CIF_CORE_ENUM_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_enum.cif';
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332
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-
var CIF_CORE_ATTR_PATH = DIC_DIR
|
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332
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+
var CIF_CORE_ATTR_PATH = "".concat(DIC_DIR, "/templ_attr.cif");
|
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333
333
|
var CIF_CORE_ATTR_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_attr.cif';
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334
334
|
var parser = new argparse.ArgumentParser({
|
|
335
335
|
add_help: true,
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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|
|
1
|
+
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@@ -89,7 +89,7 @@ function getFieldType(type, description, values, container) {
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|
89
89
|
case 'Integer':
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|
90
90
|
return wrapContainer('int', ',', description, container);
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|
91
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|
}
|
|
92
|
-
console.log("unknown type '"
|
|
92
|
+
console.log("unknown type '".concat(type, "'"));
|
|
93
93
|
return (0, schema_1.StrCol)(description);
|
|
94
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|
}
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|
95
95
|
exports.getFieldType = getFieldType;
|
|
@@ -112,17 +112,17 @@ function getImportFrames(d, imports) {
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|
112
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|
var _loop_1 = function (g) {
|
|
113
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|
var file = g.file, save = g.save;
|
|
114
114
|
if (!file || !save) {
|
|
115
|
-
console.warn("missing 'save' or 'file' for import in '"
|
|
115
|
+
console.warn("missing 'save' or 'file' for import in '".concat(d.header, "'"));
|
|
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|
return "continue";
|
|
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|
}
|
|
118
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|
var importFrames = imports.get(file);
|
|
119
119
|
if (!importFrames) {
|
|
120
|
-
console.warn("missing '"
|
|
120
|
+
console.warn("missing '".concat(file, "' entry in imports"));
|
|
121
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|
return "continue";
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|
122
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tables[categoryName] = { description: description, key: categoryKeyNames, columns: {} };
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if (childName in links && links[childName] !== parentName) {
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|
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}
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349
|
links[childName] = parentName;
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}
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@@ -356,7 +356,7 @@ function generateSchema(frames, imports) {
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|
var _a;
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357
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var d = categories[fullName];
|
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358
|
if (!d) {
|
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|
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console.log("'"
|
|
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|
+
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360
|
return;
|
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361
|
}
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362
|
var categoryName = d.header.substring(d.header[0] === '_' ? 1 : 0, d.header.indexOf('.'));
|
|
@@ -372,7 +372,7 @@ function generateSchema(frames, imports) {
|
|
|
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372
|
fields = tables[categoryName].columns;
|
|
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373
|
}
|
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374
|
else {
|
|
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|
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console.log("category '"
|
|
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|
+
console.log("category '".concat(categoryName, "' has no metadata"));
|
|
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376
|
fields = {};
|
|
377
377
|
tables[categoryName] = {
|
|
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378
|
description: '',
|
|
@@ -382,7 +382,7 @@ function generateSchema(frames, imports) {
|
|
|
382
382
|
}
|
|
383
383
|
var itemAliases = getAliases(d, imports, ctx);
|
|
384
384
|
if (itemAliases)
|
|
385
|
-
aliases[categoryName
|
|
385
|
+
aliases["".concat(categoryName, ".").concat(itemName)] = itemAliases;
|
|
386
386
|
var description = getDescription(d, imports, ctx) || '';
|
|
387
387
|
// need to use regex to check for matrix or vector items
|
|
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388
|
// as sub_category assignment is missing for some entries
|
|
@@ -392,12 +392,12 @@ function generateSchema(frames, imports) {
|
|
|
392
392
|
}
|
|
393
393
|
else if (FORCE_INT_FIELDS.includes(d.header)) {
|
|
394
394
|
fields[itemName] = (0, schema_1.IntCol)(description);
|
|
395
|
-
console.log("forcing int: "
|
|
395
|
+
console.log("forcing int: ".concat(d.header));
|
|
396
396
|
}
|
|
397
397
|
else if (FORCE_MATRIX_FIELDS.includes(d.header)) {
|
|
398
398
|
fields[itemName] = (0, schema_1.FloatCol)(description);
|
|
399
399
|
fields[FORCE_MATRIX_FIELDS_MAP[d.header]] = (0, schema_1.MatrixCol)(3, 3, description);
|
|
400
|
-
console.log("forcing matrix: "
|
|
400
|
+
console.log("forcing matrix: ".concat(d.header));
|
|
401
401
|
}
|
|
402
402
|
else if (subCategory === 'matrix') {
|
|
403
403
|
fields[itemName.replace(reMatrixField, '')] = (0, schema_1.MatrixCol)(3, 3, description);
|
|
@@ -408,11 +408,11 @@ function generateSchema(frames, imports) {
|
|
|
408
408
|
else {
|
|
409
409
|
if (itemName.match(reMatrixField)) {
|
|
410
410
|
fields[itemName.replace(reMatrixField, '')] = (0, schema_1.MatrixCol)(3, 3, description);
|
|
411
|
-
console.log(d.header
|
|
411
|
+
console.log("".concat(d.header, " should have 'matrix' _item_sub_category.id"));
|
|
412
412
|
}
|
|
413
413
|
else if (itemName.match(reVectorField)) {
|
|
414
414
|
fields[itemName.replace(reVectorField, '')] = (0, schema_1.VectorCol)(3, description);
|
|
415
|
-
console.log(d.header
|
|
415
|
+
console.log("".concat(d.header, " should have 'vector' _item_sub_category.id"));
|
|
416
416
|
}
|
|
417
417
|
else {
|
|
418
418
|
var code = getCode(d, imports, ctx);
|
|
@@ -421,15 +421,15 @@ function generateSchema(frames, imports) {
|
|
|
421
421
|
if (fieldType.type === 'str') {
|
|
422
422
|
if (COMMA_SEPARATED_LIST_FIELDS.includes(d.header)) {
|
|
423
423
|
fieldType = (0, schema_1.ListCol)('str', ',', description);
|
|
424
|
-
console.log("forcing comma separated: "
|
|
424
|
+
console.log("forcing comma separated: ".concat(d.header));
|
|
425
425
|
}
|
|
426
426
|
else if (SPACE_SEPARATED_LIST_FIELDS.includes(d.header)) {
|
|
427
427
|
fieldType = (0, schema_1.ListCol)('str', ' ', description);
|
|
428
|
-
console.log("forcing space separated: "
|
|
428
|
+
console.log("forcing space separated: ".concat(d.header));
|
|
429
429
|
}
|
|
430
430
|
else if (SEMICOLON_SEPARATED_LIST_FIELDS.includes(d.header)) {
|
|
431
431
|
fieldType = (0, schema_1.ListCol)('str', ';', description);
|
|
432
|
-
console.log("forcing space separated: "
|
|
432
|
+
console.log("forcing space separated: ".concat(d.header));
|
|
433
433
|
}
|
|
434
434
|
}
|
|
435
435
|
if (d.header in EXTRA_ENUM_VALUES) {
|
|
@@ -437,7 +437,7 @@ function generateSchema(frames, imports) {
|
|
|
437
437
|
(_a = fieldType.values).push.apply(_a, EXTRA_ENUM_VALUES[d.header]);
|
|
438
438
|
}
|
|
439
439
|
else {
|
|
440
|
-
console.warn("expected enum: "
|
|
440
|
+
console.warn("expected enum: ".concat(d.header));
|
|
441
441
|
}
|
|
442
442
|
}
|
|
443
443
|
fields[itemName] = fieldType;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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