molstar 2.3.6 → 2.4.0
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/build/viewer/molstar.css +1 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/index.d.ts +1 -1
- package/lib/apps/viewer/index.js +3 -3
- 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 +20 -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 +8 -8
- package/lib/commonjs/apps/viewer/index.js +3 -3
- 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/cifschema/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +20 -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.d.ts +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/model.js +15 -15
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/state.js +5 -5
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.js +4 -4
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -3
- 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 +3 -3
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +28 -18
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +31 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +87 -15
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +27 -18
- 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/ui.js +24 -20
- package/lib/commonjs/extensions/geo-export/ui.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.d.ts +1 -0
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +31 -21
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +2 -2
- package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +7 -6
- package/lib/commonjs/extensions/mp4-export/ui.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 +2 -2
- 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.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.js +7 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +22 -21
- 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 +5 -5
- 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/draw.js +3 -11
- package/lib/commonjs/mol-canvas3d/passes/draw.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +1 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/util.js +1 -1
- package/lib/commonjs/mol-canvas3d/util.js.map +1 -1
- package/lib/commonjs/mol-data/db/table.js +1 -1
- package/lib/commonjs/mol-data/db/table.js.map +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js +1 -1
- package/lib/commonjs/mol-data/int/_spec/sorted-ranges.spec.js.map +1 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.d.ts +3 -3
- package/lib/commonjs/mol-data/int/impl/sorted-array.d.ts +1 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +2 -2
- package/lib/commonjs/mol-data/int/impl/sorted-array.js.map +1 -1
- package/lib/commonjs/mol-data/int/tuple.js +1 -1
- package/lib/commonjs/mol-data/int/tuple.js.map +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js +1 -1
- package/lib/commonjs/mol-data/util/_spec/interval-iterator.spec.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/base.d.ts +13 -1
- package/lib/commonjs/mol-geo/geometry/base.js +37 -2
- package/lib/commonjs/mol-geo/geometry/base.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +9 -2
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +154 -35
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.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/overpaint-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +7 -3
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +162 -27
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +3 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.d.ts +7 -2
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +10 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.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/gl.shim.js +4 -4
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +1 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- 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/compute/marching-cubes/isosurface.js +3 -3
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/util.d.ts +25 -6
- package/lib/commonjs/mol-gl/compute/util.js +76 -21
- package/lib/commonjs/mol-gl/compute/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/cylinders.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/direct-volume.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/image.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/lines.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/mesh.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/points.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/schema.d.ts +16 -0
- package/lib/commonjs/mol-gl/renderable/schema.js +8 -0
- package/lib/commonjs/mol-gl/renderable/schema.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/spheres.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/text.d.ts +8 -0
- package/lib/commonjs/mol-gl/renderable/texture-mesh.d.ts +22 -13
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +1 -1
- package/lib/commonjs/mol-gl/renderable/texture-mesh.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/renderer.js +3 -0
- package/lib/commonjs/mol-gl/renderer.js.map +1 -1
- package/lib/commonjs/mol-gl/scene.js +1 -1
- package/lib/commonjs/mol-gl/scene.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.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/chunks/color-vert-params.glsl.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +1 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/accumulate.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/compute/color-smoothing/normalize.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/mesh.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader-code.js +8 -8
- package/lib/commonjs/mol-gl/shader-code.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +5 -5
- package/lib/commonjs/mol-gl/webgl/buffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/compat.js +3 -3
- package/lib/commonjs/mol-gl/webgl/compat.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +2 -2
- package/lib/commonjs/mol-gl/webgl/context.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js +1 -1
- package/lib/commonjs/mol-gl/webgl/framebuffer.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +14 -12
- package/lib/commonjs/mol-gl/webgl/program.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/render-item.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js +2 -2
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +2 -2
- 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-gl/webgl/vertex-array.d.ts +3 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.js +9 -2
- package/lib/commonjs/mol-gl/webgl/vertex-array.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.d.ts +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/_spec/sdf.spec.js +51 -0
- package/lib/commonjs/mol-io/reader/_spec/sdf.spec.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 +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.d.ts +8 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js +15 -5
- package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js.map +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/density-server.d.ts +3 -3
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +4 -4
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +7 -7
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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
- package/lib/servers/plugin-state/api-schema.js.map +1 -1
- package/lib/servers/plugin-state/index.js +1 -1
- package/lib/servers/plugin-state/index.js.map +1 -1
- package/lib/servers/volume/pack/format/dsn6.js +1 -1
- package/lib/servers/volume/pack/format/dsn6.js.map +1 -1
- package/lib/servers/volume/pack/main.js +4 -4
- package/lib/servers/volume/pack/main.js.map +1 -1
- package/lib/servers/volume/pack/writer.js +1 -1
- package/lib/servers/volume/pack/writer.js.map +1 -1
- package/lib/servers/volume/pack.js +1 -1
- package/lib/servers/volume/pack.js.map +1 -1
- 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
- package/lib/tests/browser/font-atlas.js +1 -1
- package/lib/tests/browser/font-atlas.js.map +1 -1
- package/lib/tests/browser/render-shape.js +1 -1
- package/lib/tests/browser/render-shape.js.map +1 -1
- package/lib/tests/browser/render-structure.js +1 -1
- package/lib/tests/browser/render-structure.js.map +1 -1
- package/lib/tsconfig.commonjs.tsbuildinfo +1 -1
- package/package.json +29 -30
- package/CHANGELOG.md +0 -191
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@@ -105,7 +105,7 @@ var Viewer = /** @class */ (function () {
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? document.getElementById(elementOrId)
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: elementOrId;
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if (!element)
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-
throw new Error("Could not get element with id '"
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+
throw new Error("Could not get element with id '".concat(elementOrId, "'"));
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this.plugin = createPlugin(element, spec);
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this.plugin.customState = {
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colorPalette: {
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@@ -1 +1 @@
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-
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+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../src/apps/docking-viewer/index.ts"],"names":[],"mappings":"AAAA;;;;;GAKG;;AAEH,OAAO,EAAE,SAAS,EAAE,MAAM,2BAA2B,CAAC;AAEtD,OAAO,EAAE,iBAAiB,IAAI,GAAG,EAAE,oBAAoB,EAAE,MAAM,gCAAgC,CAAC;AAChG,OAAO,EAAE,YAAY,EAAE,MAAM,qBAAqB,CAAC;AAGnD,OAAO,EAAE,mBAAmB,EAAgB,MAAM,0BAA0B,CAAC;AAC7E,OAAO,EAAE,eAAe,EAAE,MAAM,2BAA2B,CAAC;AAC5D,OAAO,EAAE,cAAc,EAAE,MAAM,2BAA2B,CAAC;AAC3D,OAAO,EAAE,YAAY,EAAE,MAAM,yBAAyB,CAAC;AACvD,OAAO,EAAE,UAAU,EAAE,MAAM,uBAAuB,CAAC;AACnD,OAAO,EAAE,WAAW,EAAE,MAAM,iBAAiB,CAAC;AAC9C,OAAO,EAAE,IAAI,EAAE,MAAM,gBAAgB,CAAC;AACtC,OAAO,EAAE,KAAK,EAAE,MAAM,sBAAsB,CAAC;AAC7C,OAAO,EAAE,UAAU,EAAE,MAAM,4BAA4B,CAAC;AACxD,OAAO,EAAE,eAAe,IAAI,EAAE,EAAE,MAAM,iCAAiC,CAAC;AACxE,OAAO,yBAAyB,CAAC;AACjC,OAAO,EAAE,UAAU,EAAE,MAAM,6BAA6B,CAAC;AACzD,OAAO,cAAc,CAAC;AACtB,OAAO,EAAE,WAAW,EAAE,eAAe,EAAE,iBAAiB,EAAE,MAAM,YAAY,CAAC;AAE7E,OAAO,CAAC,+BAA+B,CAAC,CAAC;AAEzC,OAAO,EAAE,cAAc,IAAI,OAAO,EAAE,MAAM,0BAA0B,CAAC;AACrE,OAAO,EAAE,YAAY,EAAE,iBAAiB,EAAE,MAAM,sBAAsB,CAAC;AACvE,OAAO,EAAE,MAAM,IAAI,aAAa,EAAE,CAAC;AAEnC,IAAM,oBAAoB,GAAG;IACzB,UAAU,EAAE,UAAU,CAAC,EAAE,CAAC;IAC1B,gBAAgB,EAAE,IAAI;IACtB,kBAAkB,EAAE,IAAI;IACxB,qBAAqB,EAAE,IAAI;IAC3B,qBAAqB,EAAE,UAAyC;IAChE,kBAAkB,EAAE,IAAI;IACxB,aAAa,EAAE,IAAI;IACnB,mBAAmB,EAAE,IAAI;IAEzB,kBAAkB,EAAE,YAAY,CAAC,QAAQ,CAAC,UAAU,CAAC,YAAY;IACjE,oBAAoB,EAAE,YAAY,CAAC,QAAQ,CAAC,YAAY,CAAC,YAAY;IACrE,oBAAoB,EAAE,YAAY,CAAC,QAAQ,CAAC,YAAY,CAAC,YAAY;IACrE,yBAAyB,EAAE,YAAY,CAAC,QAAQ,CAAC,iBAAiB,CAAC,YAAY;IAC/E,qBAAqB,EAAE,YAAY,CAAC,QAAQ,CAAC,aAAa,CAAC,YAAY;IACvE,iBAAiB,EAAE,YAAY,CAAC,KAAK,CAAC,aAAa,CAAC,YAAY;IAChE,qBAAqB,EAAE,YAAY,CAAC,eAAe,CAAC,aAAa,CAAC,YAAY;IAC9E,WAAW,EAAE,YAAY,CAAC,QAAQ,CAAC,kBAAkB,CAAC,YAAY;IAClE,YAAY,EAAE,YAAY,CAAC,QAAQ,CAAC,mBAAmB,CAAC,YAAY;CACvE,CAAC;AAEF;IAGI,gBAAY,WAAiC,EAAE,MAA2C,EAAE,WAAkB;QAA9G,iBA4FC;QA5F8C,uBAAA,EAAA,UAAU,KAAK,CAAC,QAAQ,CAAC,EAAE,KAAK,CAAC,QAAQ,CAAC,CAAC;QAAE,4BAAA,EAAA,kBAAkB;;QAC1G,IAAM,CAAC,yBAAQ,oBAAoB,GAAK;YACpC,gBAAgB,EAAE,KAAK;YACvB,kBAAkB,EAAE,KAAK;YACzB,qBAAqB,EAAE,KAAK;YAC5B,kBAAkB,EAAE,IAAI;YACxB,aAAa,EAAE,KAAK;YACpB,mBAAmB,EAAE,IAAI;YAEzB,kBAAkB,EAAE,IAAI;YACxB,oBAAoB,EAAE,KAAK;YAC3B,oBAAoB,EAAE,KAAK;YAC3B,yBAAyB,EAAE,KAAK;YAChC,qBAAqB,EAAE,KAAK;SAC/B,CAAE,CAAC;QACJ,IAAM,WAAW,GAAG,mBAAmB,EAAE,CAAC;QAE1C,IAAM,IAAI,GAAiB;YACvB,OAAO,EAAE,WAAW,CAAC,OAAO;YAC5B,SAAS,EAAE;gBACP,UAAU,CAAC,QAAQ,CAAC,eAAe,CAAC,cAAc,CAAC,aAAa,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,CAAC;gBAClF,UAAU,CAAC,QAAQ,CAAC,eAAe,CAAC,cAAc,CAAC,wBAAwB,CAAC;gBAC5E,UAAU,CAAC,QAAQ,CAAC,eAAe,CAAC,MAAM,CAAC,SAAS,CAAC;gBAErD,UAAU,CAAC,QAAQ,CAAC,eAAe,CAAC,WAAW,CAAC,aAAa,CAAC;gBAC9D,UAAU,CAAC,QAAQ,CAAC,eAAe,CAAC,WAAW,CAAC,YAAY,CAAC;gBAC7D,UAAU,CAAC,QAAQ,CAAC,eAAe,CAAC,WAAW,CAAC,kBAAkB,CAAC;aACtE;YACD,UAAU,EAAE,WAAW,CAAC,UAAU;YAClC,kBAAkB,EAAE,WAAW,CAAC,kBAAkB;YAClD,MAAM,EAAE;gBACJ,OAAO,EAAE;oBACL,UAAU,EAAE,CAAC,CAAC,gBAAgB;oBAC9B,YAAY,EAAE,CAAC,CAAC,kBAAkB;oBAClC,eAAe,EAAE,CAAC,CAAC,qBAAqB;iBAC3C;aACJ;YACD,UAAU,wBACH,WAAW,CAAC,UAAU,KACzB,QAAQ,wBACD,MAAA,WAAW,CAAC,UAAU,0CAAE,QAAQ,KACnC,GAAG,EAAE,CAAC,CAAC,kBAAkB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EAC9C,MAAM,EAAE,CAAC,CAAC,aAAa,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EAC5C,IAAI,EAAE,CAAC,CAAC,mBAAmB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,KAEpD,WAAW,EAAE,CAAC,CAAC,qBAAqB,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,EACzD,QAAQ,EAAE;oBACN,IAAI,EAAE,iBAAiB;iBAC1B,GACJ;YACD,MAAM,EAAE;gBACJ,CAAC,YAAY,CAAC,QAAQ,CAAC,UAAU,EAAE,CAAC,CAAC,kBAAkB,CAAC;gBACxD,CAAC,YAAY,CAAC,QAAQ,CAAC,YAAY,EAAE,CAAC,CAAC,oBAAoB,CAAC;gBAC5D,CAAC,YAAY,CAAC,QAAQ,CAAC,YAAY,EAAE,CAAC,CAAC,oBAAoB,CAAC;gBAC5D,CAAC,YAAY,CAAC,QAAQ,CAAC,iBAAiB,EAAE,CAAC,CAAC,yBAAyB,CAAC;gBACtE,CAAC,YAAY,CAAC,QAAQ,CAAC,aAAa,EAAE,CAAC,CAAC,qBAAqB,CAAC;gBAC9D,CAAC,YAAY,CAAC,KAAK,CAAC,aAAa,EAAE,CAAC,CAAC,iBAAiB,CAAC;gBACvD,CAAC,YAAY,CAAC,KAAK,CAAC,aAAa,EAAE,CAAC,CAAC,iBAAiB,CAAC;gBACvD,CAAC,YAAY,CAAC,eAAe,CAAC,aAAa,EAAE,CAAC,CAAC,qBAAqB,CAAC;gBACrE,CAAC,YAAY,CAAC,QAAQ,CAAC,kBAAkB,EAAE,CAAC,CAAC,WAAW,CAAC;gBACzD,CAAC,YAAY,CAAC,QAAQ,CAAC,mBAAmB,EAAE,CAAC,CAAC,YAAY,CAAC;gBAC3D,CAAC,WAAW,EAAE,WAAW,CAAC;aAC7B;SACJ,CAAC;QAEF,IAAM,OAAO,GAAG,OAAO,WAAW,KAAK,QAAQ;YAC3C,CAAC,CAAC,QAAQ,CAAC,cAAc,CAAC,WAAW,CAAC;YACtC,CAAC,CAAC,WAAW,CAAC;QAClB,IAAI,CAAC,OAAO;YAAE,MAAM,IAAI,KAAK,CAAC,yCAAkC,WAAW,MAAG,CAAC,CAAC;QAChF,IAAI,CAAC,MAAM,GAAG,YAAY,CAAC,OAAO,EAAE,IAAI,CAAC,CAAC;QAEzC,IAAI,CAAC,MAAM,CAAC,WAAmB,GAAG;YAC/B,YAAY,EAAE;gBACV,IAAI,EAAE,QAAQ;gBACd,MAAM,EAAE,EAAE,IAAI,EAAE,EAAE,MAAM,QAAA,EAAE,EAAE;aAC/B;SACJ,CAAC;QAEF,IAAI,CAAC,MAAM,CAAC,SAAS,CAAC,QAAQ,CAAC,WAAW,CAAC,SAAS,CAAC,UAAA,CAAC;YAClD,IAAI,CAAC,EAAE;gBACH,cAAc,CAAC,QAAQ,CAAC,WAAW,CAAC,KAAI,CAAC,MAAM,EAAE,EAAE,QAAQ,EAAE;wBACzD,QAAQ,wBACD,KAAI,CAAC,MAAM,CAAC,QAAS,CAAC,KAAK,CAAC,QAAQ,KACvC,eAAe,EAAE,UAAU,CAAC,KAAK,GACpC;wBACD,MAAM,wBACC,KAAI,CAAC,MAAM,CAAC,QAAS,CAAC,KAAK,CAAC,MAAM,KACrC,MAAM,EAAE,EAAE,IAAI,EAAE,EAAE,IAAI,EAAE,KAAK,EAAE,MAAM,EAAE,EAAE,EAAE,EAAE,GAChD;qBACJ,EAAE,CAAC,CAAC;aACR;QACL,CAAC,CAAC,CAAC;IACP,CAAC;IAEK,+CAA8B,GAApC,UAAqC,OAA+E;;;;;;;wBAC1G,UAAU,GAAsB,EAAE,CAAC;8BACM,EAAP,mBAAO;;;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|
@@ -24,7 +24,7 @@ export { PLUGIN_VERSION as version } from '../../mol-plugin/version';
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|
24
24
|
export { setDebugMode, setProductionMode } from '../../mol-util/debug';
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|
25
25
|
declare const DefaultViewerOptions: {
|
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26
26
|
customFormats: [string, DataFormatProvider<any, any, any>][];
|
|
27
|
-
extensions: ("g3d" | "
|
|
27
|
+
extensions: ("cellpack" | "g3d" | "geo-export" | "mp4-export" | "pdbe-structure-quality-report" | "dnatco-confal-pyramids" | "rcsb-assembly-symmetry" | "rcsb-validation-report" | "anvil-membrane-orientation")[];
|
|
28
28
|
layoutIsExpanded: boolean;
|
|
29
29
|
layoutShowControls: boolean;
|
|
30
30
|
layoutShowRemoteState: boolean;
|
package/lib/apps/viewer/index.js
CHANGED
|
@@ -123,11 +123,11 @@ var Viewer = /** @class */ (function () {
|
|
|
123
123
|
? document.getElementById(elementOrId)
|
|
124
124
|
: elementOrId;
|
|
125
125
|
if (!element)
|
|
126
|
-
throw new Error("Could not get element with id '"
|
|
126
|
+
throw new Error("Could not get element with id '".concat(elementOrId, "'"));
|
|
127
127
|
this.plugin = createPlugin(element, spec);
|
|
128
128
|
}
|
|
129
129
|
Viewer.prototype.setRemoteSnapshot = function (id) {
|
|
130
|
-
var url = this.plugin.config.get(PluginConfig.State.CurrentServer)
|
|
130
|
+
var url = "".concat(this.plugin.config.get(PluginConfig.State.CurrentServer), "/get/").concat(id);
|
|
131
131
|
return PluginCommands.State.Snapshots.Fetch(this.plugin, { url: url });
|
|
132
132
|
};
|
|
133
133
|
Viewer.prototype.loadSnapshotFromUrl = function (url, type) {
|
|
@@ -288,7 +288,7 @@ var Viewer = /** @class */ (function () {
|
|
|
288
288
|
return __generator(this, function (_b) {
|
|
289
289
|
plugin = this.plugin;
|
|
290
290
|
if (!plugin.dataFormats.get(format)) {
|
|
291
|
-
throw new Error("Unknown density format: "
|
|
291
|
+
throw new Error("Unknown density format: ".concat(format));
|
|
292
292
|
}
|
|
293
293
|
if (options === null || options === void 0 ? void 0 : options.isLazy) {
|
|
294
294
|
update = this.plugin.build();
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -25,7 +25,7 @@ function extractIonNames(ccd) {
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return ionNames;
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}
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function writeIonNamesFile(filePath, ionNames) {
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-
var output = "/**\n * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated ion names params file. Names extracted from CCD components.\n *\n * @author molstar/chem-comp-dict/create-table cli\n */\n\nexport const IonNames = new Set("
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+
var output = "/**\n * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated ion names params file. Names extracted from CCD components.\n *\n * @author molstar/chem-comp-dict/create-table cli\n */\n\nexport const IonNames = new Set(".concat(JSON.stringify(ionNames).replace(/"/g, "'").replace(/,/g, ', '), ");\n");
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writeFile(filePath, output);
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}
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function run(out, forceDownload) {
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@@ -1 +1 @@
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1
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-
{"version":3,"file":"create-ions.js","sourceRoot":"","sources":["../../../src/cli/chem-comp-dict/create-ions.ts"],"names":[],"mappings":";AACA;;;;GAIG;;AAEH,OAAO,KAAK,QAAQ,MAAM,UAAU,CAAC;AACrC,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,IAAI,MAAM,MAAM,CAAC;AACxB,OAAO,EAAE,MAAM,IAAI,CAAC;AACpB,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAI/C,OAAO,EAAE,mBAAmB,EAAE,OAAO,EAAE,MAAM,QAAQ,CAAC;AAEtD,SAAS,eAAe,CAAC,GAAmC;IACxD,IAAM,QAAQ,GAAa,EAAE,CAAC;IAC9B,KAAK,IAAM,CAAC,IAAI,GAAG,EAAE;QACT,IAAA,SAAS,GAAK,GAAG,CAAC,CAAC,CAAC,UAAX,CAAY;QAC7B,IAAI,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,EAAE;YACxD,QAAQ,CAAC,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;SACxC;KACJ;IACD,yDAAyD;IACzD,QAAQ,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,CAAC,CAAC;IAC5B,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,iBAAiB,CAAC,QAAgB,EAAE,QAAkB;IAC3D,IAAM,MAAM,GAAG,
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1
|
+
{"version":3,"file":"create-ions.js","sourceRoot":"","sources":["../../../src/cli/chem-comp-dict/create-ions.ts"],"names":[],"mappings":";AACA;;;;GAIG;;AAEH,OAAO,KAAK,QAAQ,MAAM,UAAU,CAAC;AACrC,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,IAAI,MAAM,MAAM,CAAC;AACxB,OAAO,EAAE,MAAM,IAAI,CAAC;AACpB,OAAO,CAAC,gBAAgB,CAAC,CAAC,IAAI,EAAE,CAAC;AACjC,IAAM,SAAS,GAAG,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,SAAS,CAAC,CAAC;AAI/C,OAAO,EAAE,mBAAmB,EAAE,OAAO,EAAE,MAAM,QAAQ,CAAC;AAEtD,SAAS,eAAe,CAAC,GAAmC;IACxD,IAAM,QAAQ,GAAa,EAAE,CAAC;IAC9B,KAAK,IAAM,CAAC,IAAI,GAAG,EAAE;QACT,IAAA,SAAS,GAAK,GAAG,CAAC,CAAC,CAAC,UAAX,CAAY;QAC7B,IAAI,SAAS,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,WAAW,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,EAAE;YACxD,QAAQ,CAAC,IAAI,CAAC,SAAS,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;SACxC;KACJ;IACD,yDAAyD;IACzD,QAAQ,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,CAAC,CAAC;IAC5B,OAAO,QAAQ,CAAC;AACpB,CAAC;AAED,SAAS,iBAAiB,CAAC,QAAgB,EAAE,QAAkB;IAC3D,IAAM,MAAM,GAAG,+RAQe,IAAI,CAAC,SAAS,CAAC,QAAQ,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,IAAI,CAAC,SAChG,CAAC;IACE,SAAS,CAAC,QAAQ,EAAE,MAAM,CAAC,CAAC;AAChC,CAAC;AAED,SAAe,GAAG,CAAC,GAAW,EAAE,aAAqB;IAArB,8BAAA,EAAA,qBAAqB;;;;;wBACjD,qBAAM,mBAAmB,CAAC,aAAa,CAAC,EAAA;;oBAAxC,SAAwC,CAAC;oBAC7B,qBAAM,OAAO,EAAE,EAAA;;oBAArB,GAAG,GAAG,SAAe;oBACrB,QAAQ,GAAG,eAAe,CAAC,GAAG,CAAC,CAAC;oBACtC,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,EAAE;wBACnC,EAAE,CAAC,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC;qBACnC;oBACD,iBAAiB,CAAC,GAAG,EAAE,QAAQ,CAAC,CAAC;;;;;CACpC;AAED,IAAM,MAAM,GAAG,IAAI,QAAQ,CAAC,cAAc,CAAC;IACvC,QAAQ,EAAE,IAAI;IACd,WAAW,EAAE,qCAAqC;CACrD,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,KAAK,EAAE;IACvB,IAAI,EAAE,6BAA6B;CACtC,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,iBAAiB,EAAE,IAAI,EAAE;IACzC,MAAM,EAAE,YAAY;IACpB,IAAI,EAAE,iCAAiC;CAC1C,CAAC,CAAC;AAKH,IAAM,IAAI,GAAS,MAAM,CAAC,UAAU,EAAE,CAAC;AAEvC,GAAG,CAAC,IAAI,CAAC,GAAG,EAAE,IAAI,CAAC,aAAa,CAAC,CAAC"}
|
|
@@ -18,10 +18,10 @@ import { mmCIF_chemCompBond_schema } from '../../mol-io/reader/cif/schema/mmcif-
|
|
|
18
18
|
import { ccd_chemCompAtom_schema } from '../../mol-io/reader/cif/schema/ccd-extras';
|
|
19
19
|
import { ensureDataAvailable, getEncodedCif, readCCD, readPVCD } from './util';
|
|
20
20
|
function ccbKey(compId, atomId1, atomId2) {
|
|
21
|
-
return atomId1 < atomId2 ? compId
|
|
21
|
+
return atomId1 < atomId2 ? "".concat(compId, ":").concat(atomId1, "-").concat(atomId2) : "".concat(compId, ":").concat(atomId2, "-").concat(atomId1);
|
|
22
22
|
}
|
|
23
23
|
function ccaKey(compId, atomId) {
|
|
24
|
-
return compId
|
|
24
|
+
return "".concat(compId, ":").concat(atomId);
|
|
25
25
|
}
|
|
26
26
|
function addChemCompBondToSet(set, ccb) {
|
|
27
27
|
for (var i = 0, il = ccb._rowCount; i < il; ++i) {
|
|
@@ -66,7 +66,7 @@ function checkAddingBondsFromPVCD(pvcd) {
|
|
|
66
66
|
extraBonds.forEach(function (bk) {
|
|
67
67
|
var _a = bk.split('|'), a1 = _a[0], a2 = _a[1];
|
|
68
68
|
if (entryAtoms.has(a1) && entryAtoms.has(a2)) {
|
|
69
|
-
console.error("Adding all PVCD bonds would wrongly add bond "
|
|
69
|
+
console.error("Adding all PVCD bonds would wrongly add bond ".concat(bk, " for ").concat(k));
|
|
70
70
|
}
|
|
71
71
|
});
|
|
72
72
|
};
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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AClC,IAAI,EAAE,8DAA8D;IACpE,QAAQ,EAAE,KAAK;CAClB,CAAC,CAAC;AAOH,IAAM,IAAI,GAAS,MAAM,CAAC,UAAU,EAAE,CAAC;AAEvC,GAAG,CAAC,IAAI,CAAC,GAAG,EAAE,IAAI,CAAC,MAAM,EAAE,IAAI,CAAC,aAAa,EAAE,IAAI,CAAC,MAAM,CAAC,CAAC"}
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@@ -24,7 +24,7 @@ export function ensureAvailable(path, url, forceDownload) {
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switch (_g.label) {
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if (!(forceDownload || !fs.existsSync(path))) return [3 /*break*/, 8];
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@@ -49,7 +49,7 @@ export function ensureAvailable(path, url, forceDownload) {
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console.log("done downloading "
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console.log("done downloading ".concat(url));
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_g.label = 8;
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case 8: return [2 /*return*/];
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}
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@@ -1 +1 @@
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1
|
-
{"version":3,"file":"util.js","sourceRoot":"","sources":["../../../src/cli/chem-comp-dict/util.ts"],"names":[],"mappings":"AAAA;;;;GAIG;;AAEH,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,EAAE,MAAM,IAAI,CAAC;AACzB,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,MAAM,YAAY,CAAC;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,OAAO,EAAE,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE1C,OAAO,EAAE,GAAG,EAAE,MAAM,yBAAyB,CAAC;AAC9C,OAAO,EAAE,SAAS,EAAE,MAAM,yBAAyB,CAAC;AACpD,OAAO,EAAE,UAAU,EAAE,MAAM,oCAAoC,CAAC;AAEhE,MAAM,UAAgB,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,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,EAAE,MAAM,IAAI,CAAC;AACzB,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,MAAM,YAAY,CAAC;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,OAAO,EAAE,QAAQ,EAAE,MAAM,gBAAgB,CAAC;AAE1C,OAAO,EAAE,GAAG,EAAE,MAAM,yBAAyB,CAAC;AAC9C,OAAO,EAAE,SAAS,EAAE,MAAM,yBAAyB,CAAC;AACpD,OAAO,EAAE,UAAU,EAAE,MAAM,oCAAoC,CAAC;AAEhE,MAAM,UAAgB,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,KAAK,CAAC,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;AAED,MAAM,UAAgB,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;AAED,MAAM,UAAgB,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,GAAG,CAAC,oBAAoB,CAAC,MAAM,EAAE,MAAM,CAAC,MAAM,CAAC,EAAC;;;;CAC1D;AAED,MAAM,UAAgB,OAAO;;;YACzB,sBAAO,oBAAoB,CAAC,QAAQ,EAAE,UAAU,CAAC,EAAC;;;CACrD;AAED,MAAM,UAAgB,QAAQ;;;YAC1B,sBAAO,oBAAoB,CAAC,SAAS,EAAE,UAAU,CAAC,EAAC;;;CACtD;AAED,SAAe,QAAQ,CAAC,IAAyB;;;;;;oBACvC,IAAI,GAAG,GAAG,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,QAAQ,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,MAAM,UAAU,aAAa,CAAC,IAAY,EAAE,QAAmC,EAAE,MAAc;IAAd,uBAAA,EAAA,cAAc;IAC3F,IAAM,OAAO,GAAG,SAAS,CAAC,aAAa,CAAC,EAAE,MAAM,QAAA,EAAE,WAAW,EAAE,MAAM,EAAE,CAAC,CAAC;IACzE,SAAS,CAAC,OAAO,CAAC,aAAa,CAAC,OAAO,EAAE,IAAI,EAAE,QAAQ,CAAC,CAAC;IACzD,OAAO,OAAO,CAAC,OAAO,EAAE,CAAC;AAC7B,CAAC;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"}
|
|
@@ -14,8 +14,8 @@ import { Progress, Task } from '../../mol-task';
|
|
|
14
14
|
import { classifyFloatArray, classifyIntArray } from '../../mol-io/common/binary-cif';
|
|
15
15
|
import { Category } from '../../mol-io/writer/cif/encoder';
|
|
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|
function showProgress(p) {
|
|
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|
-
process.stdout.write("\r"
|
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|
-
process.stdout.write("\r"
|
|
17
|
+
process.stdout.write("\r".concat(new Array(80).join(' ')));
|
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|
+
process.stdout.write("\r".concat(Progress.format(p)));
|
|
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|
}
|
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|
var readFileAsync = util.promisify(fs.readFile);
|
|
21
21
|
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,OAAO,EAAE,GAAG,EAAe,eAAe,EAAqB,MAAM,yBAAyB,CAAC;AAC/F,OAAO,EAAE,SAAS,EAAwB,MAAM,yBAAyB,CAAC;AAC1E,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,EAAE,MAAM,IAAI,CAAC;AACzB,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,EAAE,QAAQ,EAAE,IAAI,EAAkB,MAAM,gBAAgB,CAAC;AAChE,OAAO,EAAE,kBAAkB,EAAE,gBAAgB,EAAE,MAAM,gCAAgC,CAAC;AAEtF,OAAO,EAAE,QAAQ,EAAE,MAAM,iCAAiC,CAAC;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,OAAO,EAAE,GAAG,EAAe,eAAe,EAAqB,MAAM,yBAAyB,CAAC;AAC/F,OAAO,EAAE,SAAS,EAAwB,MAAM,yBAAyB,CAAC;AAC1E,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,KAAK,EAAE,MAAM,IAAI,CAAC;AACzB,OAAO,KAAK,IAAI,MAAM,MAAM,CAAC;AAC7B,OAAO,EAAE,QAAQ,EAAE,IAAI,EAAkB,MAAM,gBAAgB,CAAC;AAChE,OAAO,EAAE,kBAAkB,EAAE,gBAAgB,EAAE,MAAM,gCAAgC,CAAC;AAEtF,OAAO,EAAE,QAAQ,EAAE,MAAM,iCAAiC,CAAC;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,QAAQ,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,GAAG,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,GAAG,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,SAAS,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,eAAe,CAAC,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,kBAAkB,CAAC,KAAK,CAAC,YAAY,CAAC,EAAE,KAAK,EAAE,YAAY,EAAE,CAAC,CAAC,CAAC;QAChF,OAAO,SAAS,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,gBAAgB,CAAC,KAAK,CAAC,UAAU,CAAC,EAAE,KAAK,EAAE,UAAU,EAAE,CAAC,CAAC,CAAC;QAC1E,OAAO,SAAS,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,MAAM,UAAU,OAAO,CAAC,IAAY,EAAE,MAAc,EAAE,KAA8B,EAAE,MAAe;IAArG,iBA8CC;IA9CqC,uBAAA,EAAA,cAAc;IAChD,OAAO,IAAI,CAAC,MAAM,CAAa,WAAW,EAAE,UAAM,GAAG;;;;;oBAC3C,gBAAgB,GAA2B,KAAK;wBAClD,CAAC,CAAC,SAAS,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,SAAS,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,QAAQ,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"}
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@@ -61,7 +61,7 @@ function runGenerateSchemaMmcif(name, fieldNamesPath, typescript, out, moldbImpo
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61
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mmcifDicVersion = getDicVersion(mmcifDic.result.blocks[0]);
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62
|
ihmDicVersion = getDicVersion(ihmDic.result.blocks[0]);
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63
|
carbDicVersion = 'draft';
|
|
64
|
-
version = "Dictionary versions: mmCIF "
|
|
64
|
+
version = "Dictionary versions: mmCIF ".concat(mmcifDicVersion, ", IHM ").concat(ihmDicVersion, ", CARB ").concat(carbDicVersion, ".");
|
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65
|
frames = __spreadArray(__spreadArray(__spreadArray(__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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66
|
schema = generateSchema(frames);
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67
|
return [4 /*yield*/, runGenerateSchema(name, version, schema, fieldNamesPath, typescript, out, moldbImportPath, addAliases)];
|
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@@ -87,7 +87,7 @@ function runGenerateSchemaCifCore(name, fieldNamesPath, typescript, out, moldbIm
|
|
|
87
87
|
if (cifCoreDic.isError)
|
|
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88
|
throw cifCoreDic;
|
|
89
89
|
cifCoreDicVersion = getDicVersion(cifCoreDic.result.blocks[0]);
|
|
90
|
-
version = "Dictionary versions: CifCore "
|
|
90
|
+
version = "Dictionary versions: CifCore ".concat(cifCoreDicVersion, ".");
|
|
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91
|
frames = __spreadArray([], cifCoreDic.result.blocks[0].saveFrames, true);
|
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92
|
return [4 /*yield*/, resolveImports(frames, DIC_DIR)];
|
|
93
93
|
case 3:
|
|
@@ -156,7 +156,7 @@ function runGenerateSchemaDic(name, dicPath, fieldNamesPath, typescript, out, mo
|
|
|
156
156
|
throw dic;
|
|
157
157
|
dicVersion = getDicVersion(dic.result.blocks[0]);
|
|
158
158
|
dicName = getDicNamespace(dic.result.blocks[0]);
|
|
159
|
-
version = "Dictionary versions: "
|
|
159
|
+
version = "Dictionary versions: ".concat(dicName, " ").concat(dicVersion, ".");
|
|
160
160
|
frames = __spreadArray([], dic.result.blocks[0].saveFrames, true);
|
|
161
161
|
return [4 /*yield*/, resolveImports(frames, path.dirname(dicPath))];
|
|
162
162
|
case 2:
|
|
@@ -295,7 +295,7 @@ function ensureDicAvailable(dicPath, dicUrl) {
|
|
|
295
295
|
case 0:
|
|
296
296
|
if (!(FORCE_DIC_DOWNLOAD || !fs.existsSync(dicPath))) return [3 /*break*/, 3];
|
|
297
297
|
name_1 = dicUrl.substr(dicUrl.lastIndexOf('/') + 1);
|
|
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|
-
console.log("downloading "
|
|
298
|
+
console.log("downloading ".concat(name_1, "..."));
|
|
299
299
|
return [4 /*yield*/, fetch(dicUrl)];
|
|
300
300
|
case 1:
|
|
301
301
|
data = _d.sent();
|
|
@@ -307,7 +307,7 @@ function ensureDicAvailable(dicPath, dicUrl) {
|
|
|
307
307
|
return [4 /*yield*/, data.text()];
|
|
308
308
|
case 2:
|
|
309
309
|
_b.apply(_a, _c.concat([_d.sent()]));
|
|
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|
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console.log("done downloading "
|
|
310
|
+
console.log("done downloading ".concat(name_1));
|
|
311
311
|
_d.label = 3;
|
|
312
312
|
case 3: return [2 /*return*/];
|
|
313
313
|
}
|
|
@@ -315,19 +315,19 @@ function ensureDicAvailable(dicPath, dicUrl) {
|
|
|
315
315
|
});
|
|
316
316
|
}
|
|
317
317
|
var DIC_DIR = path.resolve(__dirname, '../../../../build/dics/');
|
|
318
|
-
var MMCIF_DIC_PATH = DIC_DIR
|
|
318
|
+
var MMCIF_DIC_PATH = "".concat(DIC_DIR, "/mmcif_pdbx_v50.dic");
|
|
319
319
|
var MMCIF_DIC_URL = 'http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic';
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|
320
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-
var IHM_DIC_PATH = DIC_DIR
|
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320
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+
var IHM_DIC_PATH = "".concat(DIC_DIR, "/ihm-extension.dic");
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321
321
|
var IHM_DIC_URL = 'https://raw.githubusercontent.com/ihmwg/IHM-dictionary/master/ihm-extension.dic';
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322
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-
var CARB_BRANCH_DIC_PATH = DIC_DIR
|
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322
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+
var CARB_BRANCH_DIC_PATH = "".concat(DIC_DIR, "/entity_branch-extension.dic");
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323
323
|
var CARB_BRANCH_DIC_URL = 'https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/entity_branch-extension.dic';
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324
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-
var CARB_COMP_DIC_PATH = DIC_DIR
|
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324
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+
var CARB_COMP_DIC_PATH = "".concat(DIC_DIR, "/chem_comp-extension.dic");
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325
325
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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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|
326
|
-
var CIF_CORE_DIC_PATH = DIC_DIR
|
|
326
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+
var CIF_CORE_DIC_PATH = "".concat(DIC_DIR, "/cif_core.dic");
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327
327
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var CIF_CORE_DIC_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic';
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328
|
-
var CIF_CORE_ENUM_PATH = DIC_DIR
|
|
328
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+
var CIF_CORE_ENUM_PATH = "".concat(DIC_DIR, "/templ_enum.cif");
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329
329
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var CIF_CORE_ENUM_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_enum.cif';
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330
|
-
var CIF_CORE_ATTR_PATH = DIC_DIR
|
|
330
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+
var CIF_CORE_ATTR_PATH = "".concat(DIC_DIR, "/templ_attr.cif");
|
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331
331
|
var CIF_CORE_ATTR_URL = 'https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_attr.cif';
|
|
332
332
|
var parser = new argparse.ArgumentParser({
|
|
333
333
|
add_help: true,
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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