molstar 3.2.0 → 3.4.0
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/LICENSE +20 -20
- package/README.md +197 -194
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.css +1 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +0 -1
- package/lib/apps/docking-viewer/viewport.js +6 -6
- package/lib/apps/viewer/app.d.ts +7 -6
- package/lib/apps/viewer/app.js +2 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/apps/viewer/index.js +0 -1
- package/lib/cli/chem-comp-dict/create-ions.js +0 -1
- package/lib/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/cli/chem-comp-dict/create-saccharides.js +67 -0
- package/lib/cli/chem-comp-dict/create-table.js +0 -1
- package/lib/cli/chem-comp-dict/util.js +0 -1
- package/lib/cli/cif2bcif/converter.js +0 -1
- package/lib/cli/cif2bcif/index.js +0 -1
- package/lib/cli/cifschema/index.js +0 -1
- package/lib/cli/cifschema/util/cif-dic.js +0 -1
- package/lib/cli/cifschema/util/generate.js +0 -1
- package/lib/cli/cifschema/util/helper.js +0 -1
- package/lib/cli/cifschema/util/schema.js +0 -1
- package/lib/cli/lipid-params/index.js +0 -1
- package/lib/cli/state-docs/index.js +0 -1
- package/lib/cli/state-docs/pd-to-md.js +0 -1
- package/lib/cli/structure-info/helpers.js +0 -1
- package/lib/cli/structure-info/model.js +0 -1
- package/lib/cli/structure-info/volume.js +0 -1
- package/lib/commonjs/apps/docking-viewer/index.js +12 -13
- package/lib/commonjs/apps/docking-viewer/viewport.js +38 -38
- package/lib/commonjs/apps/viewer/app.d.ts +7 -6
- package/lib/commonjs/apps/viewer/app.js +24 -23
- package/lib/commonjs/apps/viewer/index.js +1 -2
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +6 -7
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.d.ts +7 -0
- package/lib/commonjs/cli/chem-comp-dict/create-saccharides.js +69 -0
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +8 -9
- package/lib/commonjs/cli/chem-comp-dict/util.js +17 -18
- package/lib/commonjs/cli/cif2bcif/converter.js +9 -10
- package/lib/commonjs/cli/cif2bcif/index.js +8 -9
- package/lib/commonjs/cli/cifschema/index.js +27 -28
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +1 -2
- package/lib/commonjs/cli/cifschema/util/generate.js +0 -1
- package/lib/commonjs/cli/cifschema/util/helper.js +0 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +0 -1
- package/lib/commonjs/cli/lipid-params/index.js +9 -10
- package/lib/commonjs/cli/state-docs/index.js +2 -3
- package/lib/commonjs/cli/state-docs/pd-to-md.js +0 -1
- package/lib/commonjs/cli/structure-info/helpers.js +11 -12
- package/lib/commonjs/cli/structure-info/model.js +15 -16
- package/lib/commonjs/cli/structure-info/volume.js +9 -10
- package/lib/commonjs/examples/alpha-orbitals/controls.js +3 -4
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +0 -1
- package/lib/commonjs/examples/alpha-orbitals/index.js +11 -12
- package/lib/commonjs/examples/basic-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/controls.js +2 -3
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/index.js +22 -23
- package/lib/commonjs/examples/basic-wrapper/superposition.js +8 -9
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +3 -4
- package/lib/commonjs/examples/domain-annotation-server/schemas.js +0 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +6 -7
- package/lib/commonjs/examples/domain-annotation-server/test.js +3 -4
- package/lib/commonjs/examples/lighting/index.js +8 -9
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +2 -3
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +4 -5
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +26 -27
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +2 -3
- package/lib/commonjs/examples/task.js +15 -16
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +1 -2
- package/lib/commonjs/extensions/alpha-orbitals/density.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +2 -3
- package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +13 -14
- package/lib/commonjs/extensions/anvil/algorithm.js +13 -14
- package/lib/commonjs/extensions/anvil/behavior.js +14 -15
- package/lib/commonjs/extensions/anvil/prop.js +7 -8
- package/lib/commonjs/extensions/anvil/representation.js +5 -6
- package/lib/commonjs/extensions/cellpack/color/generate.js +0 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +0 -1
- package/lib/commonjs/extensions/cellpack/curve.js +0 -1
- package/lib/commonjs/extensions/cellpack/data.js +0 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -2
- package/lib/commonjs/extensions/cellpack/model.js +26 -25
- package/lib/commonjs/extensions/cellpack/preset.js +6 -7
- package/lib/commonjs/extensions/cellpack/property.js +3 -4
- package/lib/commonjs/extensions/cellpack/representation.js +2 -3
- package/lib/commonjs/extensions/cellpack/state.js +13 -14
- package/lib/commonjs/extensions/cellpack/util.js +14 -15
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +7 -8
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +5 -6
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +2 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/types.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +1 -2
- package/lib/commonjs/extensions/dnatco/index.js +0 -1
- package/lib/commonjs/extensions/g3d/data.js +6 -7
- package/lib/commonjs/extensions/g3d/format.js +14 -15
- package/lib/commonjs/extensions/g3d/model.js +4 -5
- package/lib/commonjs/extensions/geo-export/controls.js +3 -4
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +9 -10
- package/lib/commonjs/extensions/geo-export/index.js +1 -2
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +12 -13
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +7 -8
- package/lib/commonjs/extensions/geo-export/render-object-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +7 -8
- package/lib/commonjs/extensions/geo-export/ui.js +7 -8
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +9 -10
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +9 -10
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +4 -5
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +4 -5
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +5 -6
- package/lib/commonjs/extensions/model-export/export.js +4 -5
- package/lib/commonjs/extensions/model-export/index.js +1 -2
- package/lib/commonjs/extensions/model-export/ui.js +5 -6
- package/lib/commonjs/extensions/mp4-export/controls.js +5 -6
- package/lib/commonjs/extensions/mp4-export/encoder.js +4 -5
- package/lib/commonjs/extensions/mp4-export/index.js +1 -2
- package/lib/commonjs/extensions/mp4-export/ui.js +5 -6
- package/lib/commonjs/extensions/pdbe/index.js +0 -1
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +2 -3
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +2 -3
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -2
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +0 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +8 -9
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +17 -18
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +2 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +9 -10
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +6 -7
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +9 -10
- package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.js +0 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +158 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.js +0 -1
- package/lib/commonjs/extensions/rcsb/index.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +17 -18
- package/lib/commonjs/extensions/rcsb/validation-report/color/density-fit.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/color/geometry-quality.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/color/random-coil-index.js +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/prop.js +15 -16
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +22 -6
- package/lib/commonjs/extensions/zenodo/index.d.ts +7 -0
- package/lib/commonjs/extensions/zenodo/index.js +35 -0
- package/lib/commonjs/extensions/zenodo/ui.d.ts +61 -0
- package/lib/commonjs/extensions/zenodo/ui.js +306 -0
- package/lib/commonjs/mol-canvas3d/camera/stereo.js +1 -2
- package/lib/commonjs/mol-canvas3d/camera/transition.js +0 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +1 -2
- package/lib/commonjs/mol-canvas3d/camera.js +2 -2
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +3 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.js +46 -39
- package/lib/commonjs/mol-canvas3d/controls/object.js +0 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +5 -6
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +5 -6
- package/lib/commonjs/mol-canvas3d/helper/helper.js +1 -2
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +2 -3
- package/lib/commonjs/mol-canvas3d/passes/draw.js +15 -13
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +3 -4
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +1 -2
- package/lib/commonjs/mol-canvas3d/passes/marking.js +6 -7
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +23 -10
- package/lib/commonjs/mol-canvas3d/passes/passes.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/pick.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.d.ts +8 -1
- package/lib/commonjs/mol-canvas3d/passes/postprocessing.js +60 -31
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +9 -10
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +3 -4
- package/lib/commonjs/mol-canvas3d/util.js +2 -3
- package/lib/commonjs/mol-data/db/column-helpers.js +0 -1
- package/lib/commonjs/mol-data/db/column.js +2 -3
- package/lib/commonjs/mol-data/db/database.js +0 -1
- package/lib/commonjs/mol-data/db/table.js +1 -2
- package/lib/commonjs/mol-data/db.js +1 -2
- package/lib/commonjs/mol-data/generic/hash-set.js +0 -1
- package/lib/commonjs/mol-data/generic/linked-list.js +0 -1
- package/lib/commonjs/mol-data/generic/unique-array.js +0 -1
- package/lib/commonjs/mol-data/generic.js +3 -4
- package/lib/commonjs/mol-data/index.js +4 -5
- package/lib/commonjs/mol-data/int/impl/interval.js +0 -1
- package/lib/commonjs/mol-data/int/impl/ordered-set.js +0 -1
- package/lib/commonjs/mol-data/int/impl/segmentation.js +0 -1
- package/lib/commonjs/mol-data/int/impl/sorted-array.js +0 -1
- package/lib/commonjs/mol-data/int/interval.js +1 -2
- package/lib/commonjs/mol-data/int/linked-index.js +0 -1
- package/lib/commonjs/mol-data/int/map.js +0 -1
- package/lib/commonjs/mol-data/int/ordered-set.js +1 -2
- package/lib/commonjs/mol-data/int/segmentation.js +1 -2
- package/lib/commonjs/mol-data/int/sorted-array.js +1 -2
- package/lib/commonjs/mol-data/int/sorted-ranges.js +0 -1
- package/lib/commonjs/mol-data/int/tuple.js +0 -1
- package/lib/commonjs/mol-data/int.js +0 -1
- package/lib/commonjs/mol-data/iterator.js +0 -1
- package/lib/commonjs/mol-data/util/array.js +0 -1
- package/lib/commonjs/mol-data/util/buckets.js +0 -1
- package/lib/commonjs/mol-data/util/chunked-array.js +0 -1
- package/lib/commonjs/mol-data/util/combination.js +0 -1
- package/lib/commonjs/mol-data/util/equivalence-classes.js +0 -1
- package/lib/commonjs/mol-data/util/grouping.js +0 -1
- package/lib/commonjs/mol-data/util/hash-functions.js +0 -1
- package/lib/commonjs/mol-data/util/interval-iterator.js +0 -1
- package/lib/commonjs/mol-data/util/sort.js +0 -1
- package/lib/commonjs/mol-data/util.js +7 -8
- package/lib/commonjs/mol-geo/geometry/base.js +0 -1
- package/lib/commonjs/mol-geo/geometry/clipping-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/color-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +3 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +3 -4
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +1 -2
- package/lib/commonjs/mol-geo/geometry/geometry.js +0 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +3 -4
- package/lib/commonjs/mol-geo/geometry/lines/lines-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +4 -5
- package/lib/commonjs/mol-geo/geometry/marker-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/axes.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/box.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/cylinder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ellipsoid.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/ribbon.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sphere.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/laplacian-smoothing.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +3 -4
- package/lib/commonjs/mol-geo/geometry/overpaint-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/picking.js +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js +3 -4
- package/lib/commonjs/mol-geo/geometry/size-data.js +1 -2
- package/lib/commonjs/mol-geo/geometry/spheres/spheres-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +3 -4
- package/lib/commonjs/mol-geo/geometry/substance-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +1 -2
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +3 -3
- package/lib/commonjs/mol-geo/geometry/text/text.js +3 -4
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +4 -5
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +3 -4
- package/lib/commonjs/mol-geo/geometry/transform-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/transparency-data.js +0 -1
- package/lib/commonjs/mol-geo/primitive/box.js +0 -1
- package/lib/commonjs/mol-geo/primitive/cage.js +0 -1
- package/lib/commonjs/mol-geo/primitive/circle.js +1 -2
- package/lib/commonjs/mol-geo/primitive/cylinder.js +1 -2
- package/lib/commonjs/mol-geo/primitive/dodecahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/icosahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/octahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/plane.js +0 -1
- package/lib/commonjs/mol-geo/primitive/polygon.js +0 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -2
- package/lib/commonjs/mol-geo/primitive/primitive.js +0 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +1 -2
- package/lib/commonjs/mol-geo/primitive/pyramid.js +0 -1
- package/lib/commonjs/mol-geo/primitive/sphere.js +0 -1
- package/lib/commonjs/mol-geo/primitive/spiked-ball.js +0 -1
- package/lib/commonjs/mol-geo/primitive/star.js +1 -2
- package/lib/commonjs/mol-geo/primitive/tetrahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +1 -2
- package/lib/commonjs/mol-geo/primitive/wedge.js +0 -1
- package/lib/commonjs/mol-geo/util/location-iterator.js +0 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/algorithm.js +9 -10
- package/lib/commonjs/mol-geo/util/marching-cubes/builder.js +0 -1
- package/lib/commonjs/mol-geo/util/marching-cubes/tables.js +0 -1
- package/lib/commonjs/mol-geo/util.js +0 -1
- package/lib/commonjs/mol-gl/commit-queue.js +0 -1
- package/lib/commonjs/mol-gl/compute/grid3d.js +5 -6
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +3 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +3 -4
- package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +0 -1
- package/lib/commonjs/mol-gl/compute/util.js +3 -4
- package/lib/commonjs/mol-gl/object3d.js +0 -1
- package/lib/commonjs/mol-gl/render-object.js +0 -1
- package/lib/commonjs/mol-gl/renderable/cylinders.js +3 -4
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +3 -4
- package/lib/commonjs/mol-gl/renderable/image.js +3 -4
- package/lib/commonjs/mol-gl/renderable/lines.js +3 -4
- package/lib/commonjs/mol-gl/renderable/mesh.js +3 -4
- package/lib/commonjs/mol-gl/renderable/points.js +3 -4
- package/lib/commonjs/mol-gl/renderable/schema.js +1 -2
- package/lib/commonjs/mol-gl/renderable/spheres.js +3 -4
- package/lib/commonjs/mol-gl/renderable/text.js +3 -4
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +3 -4
- package/lib/commonjs/mol-gl/renderable/util.js +1 -2
- package/lib/commonjs/mol-gl/renderable.js +0 -1
- package/lib/commonjs/mol-gl/renderer.js +3 -5
- package/lib/commonjs/mol-gl/scene.d.ts +2 -1
- package/lib/commonjs/mol-gl/scene.js +14 -3
- package/lib/commonjs/mol-gl/shader/chunks/apply-fog.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-interior-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/apply-marker-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-clipping-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-color-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-group.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-marker-varying.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-material-color.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-position.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/assign-size.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/check-picking-alpha.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/clip-instance.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/clip-pixel.glsl.js +0 -1
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|
+
if (value.charCodeAt(value.length - 1) === 0) {
|
|
155
|
+
return value.substring(0, value.length - 1);
|
|
156
|
+
}
|
|
157
|
+
return value;
|
|
158
|
+
}
|
|
159
|
+
// const STREAMING = 4294967295;
|
|
160
|
+
/**
|
|
161
|
+
* Read data for the given non-record variable
|
|
162
|
+
*/
|
|
163
|
+
function nonRecord(buffer, variable) {
|
|
164
|
+
// variable type
|
|
165
|
+
var type = str2num(variable.type);
|
|
166
|
+
// size of the data
|
|
167
|
+
var size = variable.size / num2bytes(type);
|
|
168
|
+
// iterates over the data
|
|
169
|
+
var data = new Array(size);
|
|
170
|
+
for (var i = 0; i < size; i++) {
|
|
171
|
+
data[i] = readType(buffer, type, 1);
|
|
172
|
+
}
|
|
173
|
+
return data;
|
|
174
|
+
}
|
|
175
|
+
/**
|
|
176
|
+
* Read data for the given record variable
|
|
177
|
+
*/
|
|
178
|
+
function record(buffer, variable, recordDimension) {
|
|
179
|
+
// variable type
|
|
180
|
+
var type = str2num(variable.type);
|
|
181
|
+
var width = variable.size ? variable.size / num2bytes(type) : 1;
|
|
182
|
+
// size of the data
|
|
183
|
+
// TODO streaming data
|
|
184
|
+
var size = recordDimension.length;
|
|
185
|
+
// iterates over the data
|
|
186
|
+
var data = new Array(size);
|
|
187
|
+
var step = recordDimension.recordStep;
|
|
188
|
+
for (var i = 0; i < size; i++) {
|
|
189
|
+
var currentOffset = buffer.offset;
|
|
190
|
+
data[i] = readType(buffer, type, width);
|
|
191
|
+
buffer.seek(currentOffset + step);
|
|
192
|
+
}
|
|
193
|
+
return data;
|
|
194
|
+
}
|
|
195
|
+
// Grammar constants
|
|
196
|
+
var ZERO = 0;
|
|
197
|
+
var NC_DIMENSION = 10;
|
|
198
|
+
var NC_VARIABLE = 11;
|
|
199
|
+
var NC_ATTRIBUTE = 12;
|
|
200
|
+
/**
|
|
201
|
+
* Read the header of the file
|
|
202
|
+
* Returns object with the fields:
|
|
203
|
+
* - `recordDimension`: Number with the length of record dimension
|
|
204
|
+
* - `dimensions`: List of dimensions
|
|
205
|
+
* - `globalAttributes`: List of global attributes
|
|
206
|
+
* - `variables`: List of variables
|
|
207
|
+
*/
|
|
208
|
+
function header(buffer, version) {
|
|
209
|
+
// Length of record dimension
|
|
210
|
+
// sum of the varSize's of all the record variables.
|
|
211
|
+
var header = { recordDimension: { length: buffer.readUint32() } };
|
|
212
|
+
// Version
|
|
213
|
+
header.version = version;
|
|
214
|
+
// List of dimensions
|
|
215
|
+
var dimList = dimensionsList(buffer);
|
|
216
|
+
header.recordDimension.id = dimList.recordId;
|
|
217
|
+
header.recordDimension.name = dimList.recordName;
|
|
218
|
+
header.dimensions = dimList.dimensions;
|
|
219
|
+
// List of global attributes
|
|
220
|
+
header.globalAttributes = attributesList(buffer);
|
|
221
|
+
// List of variables
|
|
222
|
+
var variables = variablesList(buffer, dimList.recordId, version);
|
|
223
|
+
header.variables = variables.variables;
|
|
224
|
+
header.recordDimension.recordStep = variables.recordStep;
|
|
225
|
+
return header;
|
|
226
|
+
}
|
|
227
|
+
/**
|
|
228
|
+
* List of dimensions
|
|
229
|
+
*/
|
|
230
|
+
function dimensionsList(buffer) {
|
|
231
|
+
var dimensions, recordId, recordName;
|
|
232
|
+
var dimList = buffer.readUint32();
|
|
233
|
+
if (dimList === ZERO) {
|
|
234
|
+
notNetcdf((buffer.readUint32() !== ZERO), 'wrong empty tag for list of dimensions');
|
|
235
|
+
return [];
|
|
236
|
+
}
|
|
237
|
+
else {
|
|
238
|
+
notNetcdf((dimList !== NC_DIMENSION), 'wrong tag for list of dimensions');
|
|
239
|
+
// Length of dimensions
|
|
240
|
+
var dimensionSize = buffer.readUint32();
|
|
241
|
+
dimensions = new Array(dimensionSize);
|
|
242
|
+
for (var dim = 0; dim < dimensionSize; dim++) {
|
|
243
|
+
// Read name
|
|
244
|
+
var name_1 = readName(buffer);
|
|
245
|
+
// Read dimension size
|
|
246
|
+
var size = buffer.readUint32();
|
|
247
|
+
if (size === 0) {
|
|
248
|
+
recordId = dim;
|
|
249
|
+
recordName = name_1;
|
|
250
|
+
}
|
|
251
|
+
dimensions[dim] = {
|
|
252
|
+
name: name_1,
|
|
253
|
+
size: size
|
|
254
|
+
};
|
|
255
|
+
}
|
|
256
|
+
return {
|
|
257
|
+
dimensions: dimensions,
|
|
258
|
+
recordId: recordId,
|
|
259
|
+
recordName: recordName
|
|
260
|
+
};
|
|
261
|
+
}
|
|
262
|
+
}
|
|
263
|
+
/**
|
|
264
|
+
* List of attributes
|
|
265
|
+
*/
|
|
266
|
+
function attributesList(buffer) {
|
|
267
|
+
var attributes;
|
|
268
|
+
var gAttList = buffer.readUint32();
|
|
269
|
+
if (gAttList === ZERO) {
|
|
270
|
+
notNetcdf((buffer.readUint32() !== ZERO), 'wrong empty tag for list of attributes');
|
|
271
|
+
return [];
|
|
272
|
+
}
|
|
273
|
+
else {
|
|
274
|
+
notNetcdf((gAttList !== NC_ATTRIBUTE), 'wrong tag for list of attributes');
|
|
275
|
+
// Length of attributes
|
|
276
|
+
var attributeSize = buffer.readUint32();
|
|
277
|
+
attributes = new Array(attributeSize);
|
|
278
|
+
for (var gAtt = 0; gAtt < attributeSize; gAtt++) {
|
|
279
|
+
// Read name
|
|
280
|
+
var name_2 = readName(buffer);
|
|
281
|
+
// Read type
|
|
282
|
+
var type = buffer.readUint32();
|
|
283
|
+
notNetcdf(((type < 1) || (type > 6)), 'non valid type ' + type);
|
|
284
|
+
// Read attribute
|
|
285
|
+
var size = buffer.readUint32();
|
|
286
|
+
var value = readType(buffer, type, size);
|
|
287
|
+
// Apply padding
|
|
288
|
+
padding(buffer);
|
|
289
|
+
attributes[gAtt] = {
|
|
290
|
+
name: name_2,
|
|
291
|
+
type: num2str(type),
|
|
292
|
+
value: value
|
|
293
|
+
};
|
|
294
|
+
}
|
|
295
|
+
}
|
|
296
|
+
return attributes;
|
|
297
|
+
}
|
|
298
|
+
/**
|
|
299
|
+
* List of variables
|
|
300
|
+
*/
|
|
301
|
+
function variablesList(buffer, recordId, version) {
|
|
302
|
+
var varList = buffer.readUint32();
|
|
303
|
+
var recordStep = 0;
|
|
304
|
+
var variables;
|
|
305
|
+
if (varList === ZERO) {
|
|
306
|
+
notNetcdf((buffer.readUint32() !== ZERO), 'wrong empty tag for list of variables');
|
|
307
|
+
return [];
|
|
308
|
+
}
|
|
309
|
+
else {
|
|
310
|
+
notNetcdf((varList !== NC_VARIABLE), 'wrong tag for list of variables');
|
|
311
|
+
// Length of variables
|
|
312
|
+
var variableSize = buffer.readUint32();
|
|
313
|
+
variables = new Array(variableSize);
|
|
314
|
+
for (var v = 0; v < variableSize; v++) {
|
|
315
|
+
// Read name
|
|
316
|
+
var name_3 = readName(buffer);
|
|
317
|
+
// Read dimensionality of the variable
|
|
318
|
+
var dimensionality = buffer.readUint32();
|
|
319
|
+
// Index into the list of dimensions
|
|
320
|
+
var dimensionsIds = new Array(dimensionality);
|
|
321
|
+
for (var dim = 0; dim < dimensionality; dim++) {
|
|
322
|
+
dimensionsIds[dim] = buffer.readUint32();
|
|
323
|
+
}
|
|
324
|
+
// Read variables size
|
|
325
|
+
var attributes = attributesList(buffer);
|
|
326
|
+
// Read type
|
|
327
|
+
var type = buffer.readUint32();
|
|
328
|
+
notNetcdf(((type < 1) && (type > 6)), 'non valid type ' + type);
|
|
329
|
+
// Read variable size
|
|
330
|
+
// The 32-bit varSize field is not large enough to contain the
|
|
331
|
+
// size of variables that require more than 2^32 - 4 bytes,
|
|
332
|
+
// so 2^32 - 1 is used in the varSize field for such variables.
|
|
333
|
+
var varSize = buffer.readUint32();
|
|
334
|
+
// Read offset
|
|
335
|
+
var offset = buffer.readUint32();
|
|
336
|
+
if (version === 2) {
|
|
337
|
+
notNetcdf((offset > 0), 'offsets larger than 4GB not supported');
|
|
338
|
+
offset = buffer.readUint32();
|
|
339
|
+
}
|
|
340
|
+
// Count amount of record variables
|
|
341
|
+
if (dimensionsIds[0] === recordId) {
|
|
342
|
+
recordStep += varSize;
|
|
343
|
+
}
|
|
344
|
+
variables[v] = {
|
|
345
|
+
name: name_3,
|
|
346
|
+
dimensions: dimensionsIds,
|
|
347
|
+
attributes: attributes,
|
|
348
|
+
type: num2str(type),
|
|
349
|
+
size: varSize,
|
|
350
|
+
offset: offset,
|
|
351
|
+
record: (dimensionsIds[0] === recordId)
|
|
352
|
+
};
|
|
353
|
+
}
|
|
354
|
+
}
|
|
355
|
+
return {
|
|
356
|
+
variables: variables,
|
|
357
|
+
recordStep: recordStep
|
|
358
|
+
};
|
|
359
|
+
}
|
|
360
|
+
/**
|
|
361
|
+
* Reads a NetCDF v3.x file
|
|
362
|
+
* https://www.unidata.ucar.edu/software/netcdf/docs/file_format_specifications.html
|
|
363
|
+
*/
|
|
364
|
+
var NetcdfReader = /** @class */ (function () {
|
|
365
|
+
function NetcdfReader(data) {
|
|
366
|
+
var buffer = new io_buffer_1.IOBuffer(data);
|
|
367
|
+
buffer.setBigEndian();
|
|
368
|
+
// Validate that it's a NetCDF file
|
|
369
|
+
notNetcdf((buffer.readChars(3) !== 'CDF'), 'should start with CDF');
|
|
370
|
+
// Check the NetCDF format
|
|
371
|
+
var version = buffer.readByte();
|
|
372
|
+
notNetcdf((version > 2), 'unknown version');
|
|
373
|
+
// Read the header
|
|
374
|
+
this.header = header(buffer, version);
|
|
375
|
+
this.buffer = buffer;
|
|
376
|
+
}
|
|
377
|
+
Object.defineProperty(NetcdfReader.prototype, "version", {
|
|
378
|
+
/**
|
|
379
|
+
* Version for the NetCDF format
|
|
380
|
+
*/
|
|
381
|
+
get: function () {
|
|
382
|
+
if (this.header.version === 1) {
|
|
383
|
+
return 'classic format';
|
|
384
|
+
}
|
|
385
|
+
else {
|
|
386
|
+
return '64-bit offset format';
|
|
387
|
+
}
|
|
388
|
+
},
|
|
389
|
+
enumerable: false,
|
|
390
|
+
configurable: true
|
|
391
|
+
});
|
|
392
|
+
Object.defineProperty(NetcdfReader.prototype, "recordDimension", {
|
|
393
|
+
get: function () {
|
|
394
|
+
return this.header.recordDimension;
|
|
395
|
+
},
|
|
396
|
+
enumerable: false,
|
|
397
|
+
configurable: true
|
|
398
|
+
});
|
|
399
|
+
Object.defineProperty(NetcdfReader.prototype, "dimensions", {
|
|
400
|
+
get: function () {
|
|
401
|
+
return this.header.dimensions;
|
|
402
|
+
},
|
|
403
|
+
enumerable: false,
|
|
404
|
+
configurable: true
|
|
405
|
+
});
|
|
406
|
+
Object.defineProperty(NetcdfReader.prototype, "globalAttributes", {
|
|
407
|
+
get: function () {
|
|
408
|
+
return this.header.globalAttributes;
|
|
409
|
+
},
|
|
410
|
+
enumerable: false,
|
|
411
|
+
configurable: true
|
|
412
|
+
});
|
|
413
|
+
Object.defineProperty(NetcdfReader.prototype, "variables", {
|
|
414
|
+
get: function () {
|
|
415
|
+
return this.header.variables;
|
|
416
|
+
},
|
|
417
|
+
enumerable: false,
|
|
418
|
+
configurable: true
|
|
419
|
+
});
|
|
420
|
+
/**
|
|
421
|
+
* Checks if a variable is available
|
|
422
|
+
* @param {string|object} variableName - Name of the variable to check
|
|
423
|
+
* @return {Boolean} - Variable existence
|
|
424
|
+
*/
|
|
425
|
+
NetcdfReader.prototype.hasDataVariable = function (variableName) {
|
|
426
|
+
return this.header.variables && this.header.variables.findIndex(function (val) { return val.name === variableName; }) !== -1;
|
|
427
|
+
};
|
|
428
|
+
/**
|
|
429
|
+
* Retrieves the data for a given variable
|
|
430
|
+
* @param {string|object} variableName - Name of the variable to search or variable object
|
|
431
|
+
* @return {Array} - List with the variable values
|
|
432
|
+
*/
|
|
433
|
+
NetcdfReader.prototype.getDataVariable = function (variableName) {
|
|
434
|
+
var _a;
|
|
435
|
+
var variable;
|
|
436
|
+
if (typeof variableName === 'string') {
|
|
437
|
+
// search the variable
|
|
438
|
+
variable = (_a = this.header.variables) === null || _a === void 0 ? void 0 : _a.find(function (val) { return val.name === variableName; });
|
|
439
|
+
}
|
|
440
|
+
else {
|
|
441
|
+
variable = variableName;
|
|
442
|
+
}
|
|
443
|
+
// throws if variable not found
|
|
444
|
+
if (variable === undefined)
|
|
445
|
+
throw new Error('variable not found');
|
|
446
|
+
// go to the offset position
|
|
447
|
+
this.buffer.seek(variable.offset);
|
|
448
|
+
if (variable.record) {
|
|
449
|
+
// record variable case
|
|
450
|
+
return record(this.buffer, variable, this.header.recordDimension);
|
|
451
|
+
}
|
|
452
|
+
else {
|
|
453
|
+
// non-record variable case
|
|
454
|
+
return nonRecord(this.buffer, variable);
|
|
455
|
+
}
|
|
456
|
+
};
|
|
457
|
+
return NetcdfReader;
|
|
458
|
+
}());
|
|
459
|
+
exports.NetcdfReader = NetcdfReader;
|
|
@@ -64,8 +64,8 @@ function createTypedArrayBufferContext(size, type) {
|
|
|
64
64
|
}
|
|
65
65
|
exports.createTypedArrayBufferContext = createTypedArrayBufferContext;
|
|
66
66
|
function readTypedArray(ctx, file, position, byteCount, valueByteOffset, littleEndian) {
|
|
67
|
-
return
|
|
68
|
-
return
|
|
67
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
68
|
+
return tslib_1.__generator(this, function (_a) {
|
|
69
69
|
switch (_a.label) {
|
|
70
70
|
case 0: return [4 /*yield*/, file.readBuffer(position, ctx.readBuffer, byteCount, valueByteOffset)];
|
|
71
71
|
case 1:
|
|
@@ -80,4 +80,3 @@ function readTypedArray(ctx, file, position, byteCount, valueByteOffset, littleE
|
|
|
80
80
|
});
|
|
81
81
|
}
|
|
82
82
|
exports.readTypedArray = readTypedArray;
|
|
83
|
-
//# sourceMappingURL=typed-array.js.map
|
|
@@ -13,9 +13,9 @@ var file_handle_1 = require("../../common/file-handle");
|
|
|
13
13
|
var simple_buffer_1 = require("../../../mol-io/common/simple-buffer");
|
|
14
14
|
var typed_array_1 = require("../../../mol-io/common/typed-array");
|
|
15
15
|
function readCcp4Header(file) {
|
|
16
|
-
return
|
|
16
|
+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
17
17
|
var headerSize, buffer, MAP, MACHST, littleEndian, modeLE, readInt, readFloat, header;
|
|
18
|
-
return
|
|
18
|
+
return tslib_1.__generator(this, function (_a) {
|
|
19
19
|
switch (_a.label) {
|
|
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20
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case 0:
|
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headerSize = 1024;
|
|
@@ -88,9 +88,9 @@ function readCcp4Header(file) {
|
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88
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}
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89
|
exports.readCcp4Header = readCcp4Header;
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90
|
function readCcp4Slices(header, buffer, file, byteOffset, length, littleEndian) {
|
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91
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-
return
|
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91
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+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
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92
|
var valueByteOffset, int8, b1, b0, j, jl;
|
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93
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-
return
|
|
93
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+
return tslib_1.__generator(this, function (_a) {
|
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|
switch (_a.label) {
|
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95
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case 0:
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96
|
if (!isMapmode2to0(header)) return [3 /*break*/, 2];
|
|
@@ -142,9 +142,9 @@ function getCcp4DataOffset(header) {
|
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}
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exports.getCcp4DataOffset = getCcp4DataOffset;
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function parseInternal(file, size, ctx) {
|
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-
return
|
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145
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+
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
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var _a, header, littleEndian, offset, dataType, valueType, count, elementByteSize, byteCount, buffer, result;
|
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-
return
|
|
147
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+
return tslib_1.__generator(this, function (_b) {
|
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switch (_b.label) {
|
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case 0: return [4 /*yield*/, ctx.update({ message: 'Parsing CCP4/MRC/MAP file...' })];
|
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case 1:
|
|
@@ -168,9 +168,9 @@ function parseInternal(file, size, ctx) {
|
|
|
168
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|
}
|
|
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169
|
function parseFile(file, size) {
|
|
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|
var _this = this;
|
|
171
|
-
return mol_task_1.Task.create('Parse CCP4/MRC/MAP', function (ctx) { return
|
|
171
|
+
return mol_task_1.Task.create('Parse CCP4/MRC/MAP', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
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|
var _a, _b, e_1;
|
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|
-
return
|
|
173
|
+
return tslib_1.__generator(this, function (_c) {
|
|
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|
switch (_c.label) {
|
|
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|
case 0:
|
|
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176
|
_c.trys.push([0, 2, , 3]);
|
|
@@ -190,4 +190,3 @@ function parse(buffer, name) {
|
|
|
190
190
|
return parseFile(file_handle_1.FileHandle.fromBuffer(simple_buffer_1.SimpleBuffer.fromUint8Array(buffer), name), buffer.length);
|
|
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191
|
}
|
|
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|
exports.parse = parse;
|
|
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|
-
//# sourceMappingURL=parser.js.map
|
|
@@ -7,7 +7,7 @@
|
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
8
|
exports.parseCifBinary = void 0;
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
|
-
var Data =
|
|
10
|
+
var Data = tslib_1.__importStar(require("../data-model"));
|
|
11
11
|
var field_1 = require("./field");
|
|
12
12
|
var result_1 = require("../../result");
|
|
13
13
|
var decode_1 = require("../../../common/msgpack/decode");
|
|
@@ -43,9 +43,9 @@ function Category(data) {
|
|
|
43
43
|
}
|
|
44
44
|
function parseCifBinary(data) {
|
|
45
45
|
var _this = this;
|
|
46
|
-
return mol_task_1.Task.create('Parse BinaryCIF', function (ctx) { return
|
|
46
|
+
return mol_task_1.Task.create('Parse BinaryCIF', function (ctx) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
|
|
47
47
|
var minVersion, unpacked, file;
|
|
48
|
-
return
|
|
48
|
+
return tslib_1.__generator(this, function (_a) {
|
|
49
49
|
minVersion = [0, 3];
|
|
50
50
|
try {
|
|
51
51
|
unpacked = (0, decode_1.decodeMsgPack)(data);
|
|
@@ -70,4 +70,3 @@ function parseCifBinary(data) {
|
|
|
70
70
|
}); });
|
|
71
71
|
}
|
|
72
72
|
exports.parseCifBinary = parseCifBinary;
|
|
73
|
-
//# sourceMappingURL=parser.js.map
|
|
@@ -34,7 +34,7 @@ function CifSaveFrame(categoryNames, categories, header) {
|
|
|
34
34
|
}
|
|
35
35
|
exports.CifSaveFrame = CifSaveFrame;
|
|
36
36
|
function CifCategory(name, rowCount, fieldNames, fields) {
|
|
37
|
-
return { rowCount: rowCount, name: name, fieldNames:
|
|
37
|
+
return { rowCount: rowCount, name: name, fieldNames: tslib_1.__spreadArray([], fieldNames, true), getField: function (name) { return fields[name]; } };
|
|
38
38
|
}
|
|
39
39
|
exports.CifCategory = CifCategory;
|
|
40
40
|
(function (CifCategory) {
|
|
@@ -304,4 +304,3 @@ function getCifFieldType(field) {
|
|
|
304
304
|
return db_1.Column.Schema.int;
|
|
305
305
|
}
|
|
306
306
|
exports.getCifFieldType = getCifFieldType;
|
|
307
|
-
//# sourceMappingURL=data-model.js.map
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
/**
|
|
2
2
|
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
|
-
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.
|
|
4
|
+
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.356, IHM 1.17, MA 1.3.5.
|
|
5
5
|
*
|
|
6
6
|
* @author molstar/ciftools package
|
|
7
7
|
*/
|
|
@@ -2,7 +2,7 @@
|
|
|
2
2
|
/**
|
|
3
3
|
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
|
-
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.
|
|
5
|
+
* Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.356, IHM 1.17, MA 1.3.5.
|
|
6
6
|
*
|
|
7
7
|
* @author molstar/ciftools package
|
|
8
8
|
*/
|
|
@@ -494,4 +494,3 @@ exports.BIRD_Schema = {
|
|
|
494
494
|
},
|
|
495
495
|
};
|
|
496
496
|
;
|
|
497
|
-
//# sourceMappingURL=bird.js.map
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
/**
|
|
2
2
|
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
|
-
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.
|
|
4
|
+
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.356, IHM 1.17, MA 1.3.5.
|
|
5
5
|
*
|
|
6
6
|
* @author molstar/ciftools package
|
|
7
7
|
*/
|
|
@@ -2,7 +2,7 @@
|
|
|
2
2
|
/**
|
|
3
3
|
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
|
-
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.
|
|
5
|
+
* Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.356, IHM 1.17, MA 1.3.5.
|
|
6
6
|
*
|
|
7
7
|
* @author molstar/ciftools package
|
|
8
8
|
*/
|
|
@@ -395,4 +395,3 @@ exports.CCD_Schema = {
|
|
|
395
395
|
},
|
|
396
396
|
};
|
|
397
397
|
;
|
|
398
|
-
//# sourceMappingURL=ccd.js.map
|
|
@@ -20,9 +20,8 @@ exports.mmCIF_residueId_schema = {
|
|
|
20
20
|
auth_seq_id: mmcif_1.mmCIF_Schema.atom_site.auth_seq_id,
|
|
21
21
|
auth_asym_id: mmcif_1.mmCIF_Schema.atom_site.auth_asym_id
|
|
22
22
|
};
|
|
23
|
-
exports.mmCIF_chemCompBond_schema =
|
|
23
|
+
exports.mmCIF_chemCompBond_schema = tslib_1.__assign(tslib_1.__assign({}, mmcif_1.mmCIF_Schema.chem_comp_bond), {
|
|
24
24
|
/** Indicates if the bond entry was taken from the protonation variant dictionary */
|
|
25
25
|
molstar_protonation_variant: db_1.Column.Schema.Str() });
|
|
26
26
|
/** Has `type` extended with 'Ion' and 'Lipid' */
|
|
27
|
-
exports.mmCIF_chemComp_schema =
|
|
28
|
-
//# sourceMappingURL=mmcif-extras.js.map
|
|
27
|
+
exports.mmCIF_chemComp_schema = tslib_1.__assign(tslib_1.__assign({}, mmcif_1.mmCIF_Schema.chem_comp), { type: db_1.Column.Schema.Aliased(db_1.Column.Schema.str) });
|