molstar 3.0.2 → 3.3.0
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 -1
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.js +0 -1
- package/lib/apps/docking-viewer/viewport.d.ts +2 -0
- package/lib/apps/docking-viewer/viewport.js +5 -5
- package/lib/apps/viewer/app.d.ts +1 -0
- package/lib/apps/viewer/app.js +0 -1
- 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-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 +0 -1
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -0
- package/lib/commonjs/apps/docking-viewer/viewport.js +5 -5
- package/lib/commonjs/apps/viewer/app.d.ts +1 -0
- package/lib/commonjs/apps/viewer/app.js +0 -1
- package/lib/commonjs/apps/viewer/index.js +0 -1
- package/lib/commonjs/cli/chem-comp-dict/create-ions.js +0 -1
- package/lib/commonjs/cli/chem-comp-dict/create-table.js +0 -1
- package/lib/commonjs/cli/chem-comp-dict/util.js +0 -1
- package/lib/commonjs/cli/cif2bcif/converter.js +0 -1
- package/lib/commonjs/cli/cif2bcif/index.js +0 -1
- package/lib/commonjs/cli/cifschema/index.js +0 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +0 -1
- 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 +0 -1
- package/lib/commonjs/cli/state-docs/index.js +0 -1
- package/lib/commonjs/cli/state-docs/pd-to-md.js +0 -1
- package/lib/commonjs/cli/structure-info/helpers.js +0 -1
- package/lib/commonjs/cli/structure-info/model.js +0 -1
- package/lib/commonjs/cli/structure-info/volume.js +0 -1
- package/lib/commonjs/examples/alpha-orbitals/controls.js +0 -1
- package/lib/commonjs/examples/alpha-orbitals/example-data.js +0 -1
- package/lib/commonjs/examples/alpha-orbitals/index.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/controls.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/custom-theme.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/index.js +0 -1
- package/lib/commonjs/examples/basic-wrapper/superposition.js +0 -1
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +0 -1
- package/lib/commonjs/examples/domain-annotation-server/schemas.js +0 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +0 -1
- package/lib/commonjs/examples/domain-annotation-server/test.js +0 -1
- package/lib/commonjs/examples/lighting/index.js +2 -3
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +0 -1
- package/lib/commonjs/examples/proteopedia-wrapper/coloring.js +0 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +0 -1
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +0 -1
- package/lib/commonjs/examples/proteopedia-wrapper/ui/controls.js +0 -1
- package/lib/commonjs/examples/task.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/collocation.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/data-model.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/density.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/gpu/compute.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/gpu/shader.frag.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/orbitals.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/spherical-functions.js +0 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +0 -1
- package/lib/commonjs/extensions/anvil/algorithm.js +0 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/behavior.js +0 -1
- package/lib/commonjs/extensions/anvil/prop.js +0 -1
- package/lib/commonjs/extensions/anvil/representation.js +0 -1
- 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 +0 -1
- package/lib/commonjs/extensions/cellpack/model.js +0 -1
- package/lib/commonjs/extensions/cellpack/preset.js +0 -1
- package/lib/commonjs/extensions/cellpack/property.js +0 -1
- package/lib/commonjs/extensions/cellpack/representation.js +0 -1
- package/lib/commonjs/extensions/cellpack/state.js +0 -1
- package/lib/commonjs/extensions/cellpack/util.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/types.js +0 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +0 -1
- package/lib/commonjs/extensions/dnatco/index.js +0 -1
- package/lib/commonjs/extensions/g3d/data.js +0 -1
- package/lib/commonjs/extensions/g3d/format.js +0 -1
- package/lib/commonjs/extensions/g3d/model.js +0 -1
- package/lib/commonjs/extensions/geo-export/controls.js +0 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/index.js +0 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/render-object-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +0 -1
- package/lib/commonjs/extensions/geo-export/ui.js +0 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +0 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.d.ts +2 -0
- package/lib/commonjs/extensions/model-archive/quality-assessment/behavior.js +0 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/plddt.js +0 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/color/qmean.js +0 -1
- package/lib/commonjs/extensions/model-archive/quality-assessment/prop.js +0 -1
- package/lib/commonjs/extensions/model-export/export.js +0 -1
- package/lib/commonjs/extensions/model-export/index.js +0 -1
- package/lib/commonjs/extensions/model-export/ui.js +0 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +0 -1
- package/lib/commonjs/extensions/mp4-export/encoder.js +0 -1
- package/lib/commonjs/extensions/mp4-export/index.js +0 -1
- package/lib/commonjs/extensions/mp4-export/ui.js +0 -1
- package/lib/commonjs/extensions/pdbe/index.js +0 -1
- package/lib/commonjs/extensions/pdbe/preferred-assembly.js +0 -1
- package/lib/commonjs/extensions/pdbe/struct-ref-domain.js +0 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +0 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/color.js +0 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +0 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +2 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +0 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +0 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +0 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.js +0 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/ui.js +0 -1
- package/lib/commonjs/extensions/rcsb/graphql/symmetry.gql.js +0 -1
- package/lib/commonjs/extensions/rcsb/graphql/types.d.ts +169 -12
- 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.d.ts +3 -0
- package/lib/commonjs/extensions/rcsb/validation-report/behavior.js +0 -1
- 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 +0 -1
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +0 -1
- package/lib/commonjs/mol-canvas3d/camera/stereo.js +0 -1
- package/lib/commonjs/mol-canvas3d/camera/transition.js +0 -1
- package/lib/commonjs/mol-canvas3d/camera/util.js +0 -1
- package/lib/commonjs/mol-canvas3d/camera.js +0 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +3 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.js +32 -25
- package/lib/commonjs/mol-canvas3d/controls/object.js +0 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.js +0 -1
- package/lib/commonjs/mol-canvas3d/helper/bounding-sphere-helper.js +0 -1
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.js +0 -1
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.js +0 -1
- package/lib/commonjs/mol-canvas3d/helper/helper.js +0 -1
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +12 -10
- package/lib/commonjs/mol-canvas3d/passes/fxaa.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/passes/image.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/marking.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.d.ts +1 -1
- package/lib/commonjs/mol-canvas3d/passes/multi-sample.js +20 -7
- 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 +50 -21
- package/lib/commonjs/mol-canvas3d/passes/smaa.js +0 -1
- package/lib/commonjs/mol-canvas3d/passes/wboit.js +0 -1
- package/lib/commonjs/mol-canvas3d/util.js +0 -1
- package/lib/commonjs/mol-data/db/column-helpers.js +0 -1
- package/lib/commonjs/mol-data/db/column.js +0 -1
- package/lib/commonjs/mol-data/db/database.js +0 -1
- package/lib/commonjs/mol-data/db/table.js +0 -1
- package/lib/commonjs/mol-data/db.js +0 -1
- 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 +0 -1
- package/lib/commonjs/mol-data/index.js +0 -1
- 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 +0 -1
- 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 +0 -1
- package/lib/commonjs/mol-data/int/segmentation.js +0 -1
- package/lib/commonjs/mol-data/int/sorted-array.js +0 -1
- 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 +0 -1
- 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.js +0 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +0 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/transfer-function.js +0 -1
- package/lib/commonjs/mol-geo/geometry/geometry.js +0 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +2 -3
- 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 +0 -1
- 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.js +0 -1
- package/lib/commonjs/mol-geo/geometry/size-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +0 -1
- package/lib/commonjs/mol-geo/geometry/substance-data.js +0 -1
- package/lib/commonjs/mol-geo/geometry/text/font-atlas.js +0 -1
- package/lib/commonjs/mol-geo/geometry/text/text-builder.js +0 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +0 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +0 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +0 -1
- 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 +0 -1
- package/lib/commonjs/mol-geo/primitive/cylinder.js +0 -1
- 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 +0 -1
- package/lib/commonjs/mol-geo/primitive/primitive.js +0 -1
- package/lib/commonjs/mol-geo/primitive/prism.js +0 -1
- 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 +0 -1
- package/lib/commonjs/mol-geo/primitive/tetrahedron.js +0 -1
- package/lib/commonjs/mol-geo/primitive/torus.js +0 -1
- 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 +0 -1
- 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 +0 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +0 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/sum.js +0 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/active-voxels.js +0 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/isosurface.js +0 -1
- package/lib/commonjs/mol-gl/compute/marching-cubes/tables.js +0 -1
- package/lib/commonjs/mol-gl/compute/util.js +0 -1
- 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 +0 -1
- package/lib/commonjs/mol-gl/renderable/direct-volume.js +0 -1
- package/lib/commonjs/mol-gl/renderable/image.js +0 -1
- package/lib/commonjs/mol-gl/renderable/lines.js +0 -1
- package/lib/commonjs/mol-gl/renderable/mesh.js +0 -1
- package/lib/commonjs/mol-gl/renderable/points.js +0 -1
- package/lib/commonjs/mol-gl/renderable/schema.js +0 -1
- package/lib/commonjs/mol-gl/renderable/spheres.js +0 -1
- package/lib/commonjs/mol-gl/renderable/text.js +0 -1
- package/lib/commonjs/mol-gl/renderable/texture-mesh.js +0 -1
- package/lib/commonjs/mol-gl/renderable/util.js +0 -1
- 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.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/apply-light-color.glsl.js +2 -3
- 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
- package/lib/commonjs/mol-gl/shader/chunks/color-frag-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/color-vert-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-clip.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-frag-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common-vert-params.glsl.js +0 -1
- package/lib/commonjs/mol-gl/shader/chunks/common.glsl.js +0 -1
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- package/lib/mol-util/color/spaces/hcl.js +0 -1
- package/lib/mol-util/color/spaces/lab.js +0 -1
- package/lib/mol-util/color/swatches.js +0 -1
- package/lib/mol-util/console-logger.js +0 -1
- package/lib/mol-util/data-source.js +0 -1
- package/lib/mol-util/date.js +0 -1
- package/lib/mol-util/debug.js +0 -1
- package/lib/mol-util/download.js +0 -1
- package/lib/mol-util/file-info.js +0 -1
- package/lib/mol-util/graphql-client.js +0 -1
- package/lib/mol-util/id-factory.js +0 -1
- package/lib/mol-util/image.js +0 -1
- package/lib/mol-util/index.js +0 -1
- package/lib/mol-util/input/event-offset.js +0 -1
- package/lib/mol-util/input/input-observer.js +0 -1
- package/lib/mol-util/is-little-endian.js +0 -1
- package/lib/mol-util/legend.js +0 -1
- package/lib/mol-util/log-entry.js +0 -1
- package/lib/mol-util/lru-cache.js +0 -1
- package/lib/mol-util/make-dir.js +0 -1
- package/lib/mol-util/map.js +0 -1
- package/lib/mol-util/marker-action.js +0 -1
- package/lib/mol-util/mask.js +0 -1
- package/lib/mol-util/material.js +0 -1
- package/lib/mol-util/memoize.js +0 -1
- package/lib/mol-util/monadic-parser.js +0 -1
- package/lib/mol-util/now.js +0 -1
- package/lib/mol-util/number-packing.js +0 -1
- package/lib/mol-util/number.js +0 -1
- package/lib/mol-util/object.js +0 -1
- package/lib/mol-util/param-definition.js +0 -1
- package/lib/mol-util/param-mapping.js +0 -1
- package/lib/mol-util/performance-monitor.js +0 -1
- package/lib/mol-util/polyfill.js +0 -1
- package/lib/mol-util/read.js +0 -1
- package/lib/mol-util/reference-cache.js +0 -1
- package/lib/mol-util/retry-if.js +0 -1
- package/lib/mol-util/rx-event-helper.js +0 -1
- package/lib/mol-util/set.js +0 -1
- package/lib/mol-util/sleep.js +0 -1
- package/lib/mol-util/string-builder.js +0 -1
- package/lib/mol-util/string.js +0 -1
- package/lib/mol-util/type-helpers.js +0 -1
- package/lib/mol-util/url.js +0 -1
- package/lib/mol-util/uuid.js +0 -1
- package/lib/mol-util/value-cell.js +0 -1
- package/lib/mol-util/zip/bin.js +0 -1
- package/lib/mol-util/zip/checksum.js +0 -1
- package/lib/mol-util/zip/deflate.js +0 -1
- package/lib/mol-util/zip/huffman.js +0 -1
- package/lib/mol-util/zip/inflate.js +0 -1
- package/lib/mol-util/zip/util.js +0 -1
- package/lib/mol-util/zip/zip.js +0 -1
- package/lib/servers/common/file-handle.js +0 -1
- package/lib/servers/common/swagger-ui/index.js +0 -1
- package/lib/servers/common/swagger-ui/indexTemplate.js +0 -1
- package/lib/servers/common/util.js +0 -1
- package/lib/servers/model/config.js +0 -1
- package/lib/servers/model/preprocess/converter.js +0 -1
- package/lib/servers/model/preprocess/master.js +0 -1
- package/lib/servers/model/preprocess/parallel.js +0 -1
- package/lib/servers/model/preprocess/preprocess.js +0 -1
- package/lib/servers/model/preprocess/util.js +0 -1
- package/lib/servers/model/preprocess.js +0 -1
- package/lib/servers/model/properties/pdbe.js +0 -1
- package/lib/servers/model/properties/providers/pdbe.js +0 -1
- package/lib/servers/model/properties/providers/wwpdb.js +0 -1
- package/lib/servers/model/properties/wwpdb.js +0 -1
- package/lib/servers/model/property-provider.js +0 -1
- package/lib/servers/model/query/atoms.js +0 -1
- package/lib/servers/model/query/schemas.js +0 -1
- package/lib/servers/model/query.js +0 -1
- package/lib/servers/model/server/api-local.js +0 -1
- package/lib/servers/model/server/api-schema.js +0 -1
- package/lib/servers/model/server/api-web-multiple.js +0 -1
- package/lib/servers/model/server/api-web.js +0 -1
- package/lib/servers/model/server/api.js +0 -1
- package/lib/servers/model/server/cache.js +0 -1
- package/lib/servers/model/server/jobs.js +0 -1
- package/lib/servers/model/server/query.js +0 -1
- package/lib/servers/model/server/structure-wrapper.js +0 -1
- package/lib/servers/model/server.js +0 -1
- package/lib/servers/model/test.js +0 -1
- package/lib/servers/model/utils/fetch-props-pdbe.js +0 -1
- package/lib/servers/model/utils/fetch-retry.js +0 -1
- package/lib/servers/model/utils/tar.js +0 -1
- package/lib/servers/model/utils/writer.js +0 -1
- package/lib/servers/model/version.js +0 -1
- package/lib/servers/plugin-state/api-schema.js +0 -1
- package/lib/servers/plugin-state/config.js +0 -1
- package/lib/servers/plugin-state/index.js +0 -1
- package/lib/servers/plugin-state/version.js +0 -1
- package/lib/servers/volume/common/binary-schema.js +0 -1
- package/lib/servers/volume/common/data-format.js +0 -1
- package/lib/servers/volume/common/file.js +0 -1
- package/lib/servers/volume/config.js +0 -1
- package/lib/servers/volume/pack/data-model.js +0 -1
- package/lib/servers/volume/pack/downsampling.js +0 -1
- package/lib/servers/volume/pack/format/ccp4.js +0 -1
- package/lib/servers/volume/pack/format/dsn6.js +0 -1
- package/lib/servers/volume/pack/format.js +0 -1
- package/lib/servers/volume/pack/main.js +0 -1
- package/lib/servers/volume/pack/sampling.js +0 -1
- package/lib/servers/volume/pack/version.js +0 -1
- package/lib/servers/volume/pack/writer.js +0 -1
- package/lib/servers/volume/pack.js +0 -1
- package/lib/servers/volume/query.js +0 -1
- package/lib/servers/volume/server/algebra/box.js +0 -1
- package/lib/servers/volume/server/algebra/coordinate.js +0 -1
- package/lib/servers/volume/server/api.js +0 -1
- package/lib/servers/volume/server/local-api.js +0 -1
- package/lib/servers/volume/server/query/compose.js +0 -1
- package/lib/servers/volume/server/query/data-model.js +0 -1
- package/lib/servers/volume/server/query/encode.js +0 -1
- package/lib/servers/volume/server/query/execute.js +0 -1
- package/lib/servers/volume/server/query/identify.js +0 -1
- package/lib/servers/volume/server/state.js +0 -1
- package/lib/servers/volume/server/version.js +0 -1
- package/lib/servers/volume/server/web-api.js +0 -1
- package/lib/servers/volume/server/web-schema.js +0 -1
- package/lib/servers/volume/server.js +0 -1
- package/package.json +29 -29
- package/lib/commonjs/mol-model/structure/structure/util/superposition-db-mapping.d.ts +0 -13
- package/lib/mol-model/structure/structure/util/superposition-db-mapping.d.ts +0 -13
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@@ -12,4 +12,3 @@ import { StructureProperties } from './structure/properties';
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export { StructureElement, Bond, Structure, Unit, StructureSymmetry, StructureProperties };
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export * from './structure/unit/rings';
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export * from './export/mmcif';
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-
//# sourceMappingURL=structure.js.map
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package/lib/mol-model/volume.js
CHANGED
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@@ -167,4 +167,3 @@ export function getAtomicHierarchyAndConformation(atom_site, sourceIndex, entiti
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var conformation = getConformation(atom_site);
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return { sameAsPrevious: sameAsPrevious, hierarchy: hierarchy, conformation: conformation, chainOperatorMapping: chainOperatorMapping };
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}
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//# sourceMappingURL=atomic.js.map
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@@ -77,4 +77,3 @@ function getData(data) {
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var entity_id = data.entity_id, seq_id_begin = data.seq_id_begin, seq_id_end = data.seq_id_end, asym_id = data.asym_id;
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return __assign({ count: entity_id.rowCount, entity_id: entity_id, asym_id: asym_id, seq_id_begin: seq_id_begin, seq_id_end: seq_id_end }, getSegments(asym_id, seq_id_begin, seq_id_end));
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}
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//# sourceMappingURL=coarse.js.map
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@@ -129,4 +129,3 @@ export function getEntitiesWithPRD(data, entities, structAsymMap) {
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var prdIdColumn = Column.ofArray({ array: prdIds, schema: Column.Schema.str });
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return __assign(__assign({}, entities), { prd_id: prdIdColumn });
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}
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//# sourceMappingURL=entities.js.map
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@@ -125,6 +125,11 @@ export declare const BasicSchema: {
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pdbx_PDB_ins_code: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_PDB_model_num: import("../../../mol-data/db/column").Column.Schema.Int;
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pdbx_formal_charge: import("../../../mol-data/db/column").Column.Schema.Int;
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+
pdbx_label_index: import("../../../mol-data/db/column").Column.Schema.Int;
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pdbx_sifts_xref_db_name: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_sifts_xref_db_acc: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_sifts_xref_db_num: import("../../../mol-data/db/column").Column.Schema.Str;
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pdbx_sifts_xref_db_res: import("../../../mol-data/db/column").Column.Schema.Str;
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ihm_model_id: import("../../../mol-data/db/column").Column.Schema.Int;
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};
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ihm_sphere_obj_site: {
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@@ -1,5 +1,5 @@
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1
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/**
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2
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-
* Copyright (c) 2019-
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2
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+
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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*
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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*/
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@@ -24,7 +24,7 @@ var DnaAtomIdsList = [
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];
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/** Used to reduce false positives for atom name-based type guessing */
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var NonPolymerNames = new Set([
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27
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-
'FMN', 'NCN', 'FNS', 'FMA' // Mononucleotides
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27
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+
'FMN', 'NCN', 'FNS', 'FMA', 'ATP', 'ADP', 'AMP', 'GTP', 'GDP', 'GMP' // Mononucleotides
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]);
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var StandardComponents = (function () {
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var map = new Map();
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@@ -148,7 +148,7 @@ var ComponentBuilder = /** @class */ (function () {
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else if (WaterNames.has(compId)) {
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this.set({ id: compId, name: 'WATER', type: 'non-polymer' });
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}
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-
else if (NonPolymerNames.has(compId)) {
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+
else if (NonPolymerNames.has(compId.toUpperCase())) {
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this.set({ id: compId, name: this.namesMap.get(compId) || compId, type: 'non-polymer' });
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}
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else {
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return ComponentBuilder;
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}());
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export { ComponentBuilder };
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//# sourceMappingURL=component.js.map
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@@ -1,7 +1,8 @@
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1
1
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/**
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2
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-
* Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
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2
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+
* Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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3
3
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*
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4
4
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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+
* @author David Sehnal <david.sehnal@gmail.com>
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5
6
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*/
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6
7
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import { Model } from '../../../mol-model/structure';
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7
8
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import { ModelFormat } from '../../format';
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@@ -24,5 +25,7 @@ interface FormatPropertyProvider<T> {
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delete(model: Model): void;
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}
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declare namespace FormatPropertyProvider {
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|
-
function create<T>(descriptor: CustomPropertyDescriptor
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+
function create<T>(descriptor: CustomPropertyDescriptor, options?: {
|
|
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|
+
asDynamic?: boolean;
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|
+
}): FormatPropertyProvider<T>;
|
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}
|
|
@@ -1,7 +1,8 @@
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1
1
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/**
|
|
2
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-
* Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
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2
|
+
* Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
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3
3
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*
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4
4
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* @author Alexander Rose <alexander.rose@weirdbyte.de>
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5
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+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
6
|
*/
|
|
6
7
|
var FormatRegistry = /** @class */ (function () {
|
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7
8
|
function FormatRegistry() {
|
|
@@ -29,7 +30,7 @@ var FormatRegistry = /** @class */ (function () {
|
|
|
29
30
|
export { FormatPropertyProvider };
|
|
30
31
|
var FormatPropertyProvider;
|
|
31
32
|
(function (FormatPropertyProvider) {
|
|
32
|
-
function create(descriptor) {
|
|
33
|
+
function create(descriptor, options) {
|
|
33
34
|
var name = descriptor.name;
|
|
34
35
|
var formatRegistry = new FormatRegistry();
|
|
35
36
|
return {
|
|
@@ -39,25 +40,35 @@ var FormatPropertyProvider;
|
|
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39
40
|
return formatRegistry.isApplicable(model);
|
|
40
41
|
},
|
|
41
42
|
get: function (model) {
|
|
42
|
-
|
|
43
|
-
|
|
43
|
+
var store = (options === null || options === void 0 ? void 0 : options.asDynamic) ? model._dynamicPropertyData : model._staticPropertyData;
|
|
44
|
+
if (store[name])
|
|
45
|
+
return store[name];
|
|
44
46
|
if (model.customProperties.has(descriptor))
|
|
45
47
|
return;
|
|
46
48
|
var obtain = formatRegistry.get(model.sourceData.kind);
|
|
47
49
|
if (!obtain)
|
|
48
50
|
return;
|
|
49
|
-
|
|
51
|
+
store[name] = obtain(model);
|
|
50
52
|
model.customProperties.add(descriptor);
|
|
51
|
-
return
|
|
53
|
+
return store[name];
|
|
52
54
|
},
|
|
53
55
|
set: function (model, value) {
|
|
54
|
-
|
|
56
|
+
if (options === null || options === void 0 ? void 0 : options.asDynamic) {
|
|
57
|
+
model._dynamicPropertyData[name] = value;
|
|
58
|
+
}
|
|
59
|
+
else {
|
|
60
|
+
model._staticPropertyData[name] = value;
|
|
61
|
+
}
|
|
55
62
|
},
|
|
56
63
|
delete: function (model) {
|
|
57
|
-
|
|
64
|
+
if (options === null || options === void 0 ? void 0 : options.asDynamic) {
|
|
65
|
+
delete model._dynamicPropertyData[name];
|
|
66
|
+
}
|
|
67
|
+
else {
|
|
68
|
+
delete model._staticPropertyData[name];
|
|
69
|
+
}
|
|
58
70
|
}
|
|
59
71
|
};
|
|
60
72
|
}
|
|
61
73
|
FormatPropertyProvider.create = create;
|
|
62
74
|
})(FormatPropertyProvider || (FormatPropertyProvider = {}));
|
|
63
|
-
//# sourceMappingURL=property.js.map
|
|
@@ -96,11 +96,11 @@ function getModels(mol2, ctx) {
|
|
|
96
96
|
flag = Column.ofIntArray(Column.mapToArray(bonds.bond_type, function (x) {
|
|
97
97
|
switch (x) {
|
|
98
98
|
case 'ar': // aromatic
|
|
99
|
+
case 'am': // amide
|
|
99
100
|
return 16 /* Aromatic */ | 1 /* Covalent */;
|
|
100
101
|
case 'du': // dummy
|
|
101
102
|
case 'nc': // not connected
|
|
102
103
|
return 0 /* None */;
|
|
103
|
-
case 'am': // amide
|
|
104
104
|
case 'un': // unknown
|
|
105
105
|
default:
|
|
106
106
|
return 1 /* Covalent */;
|
|
@@ -157,4 +157,3 @@ var Mol2Format;
|
|
|
157
157
|
export function trajectoryFromMol2(mol2) {
|
|
158
158
|
return Task.create('Parse MOL2', function (ctx) { return getModels(mol2, ctx); });
|
|
159
159
|
}
|
|
160
|
-
//# sourceMappingURL=mol2.js.map
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2017-
|
|
2
|
+
* Copyright (c) 2017-2022 Mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2017-
|
|
2
|
+
* Copyright (c) 2017-2022 Mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
@@ -45,10 +45,10 @@ export var ComponentBond;
|
|
|
45
45
|
function getEntriesFromChemCompBond(data) {
|
|
46
46
|
var entries = new Map();
|
|
47
47
|
function addEntry(id) {
|
|
48
|
-
// weird behavior when 'PRO' is requested - will report a single bond
|
|
49
|
-
|
|
48
|
+
// weird behavior when 'PRO' is requested - will report a single bond
|
|
49
|
+
// between N and H because a later operation would override real content
|
|
50
|
+
if (entries.has(id))
|
|
50
51
|
return entries.get(id);
|
|
51
|
-
}
|
|
52
52
|
var e = new Entry(id);
|
|
53
53
|
entries.set(id, e);
|
|
54
54
|
return e;
|
|
@@ -69,8 +69,10 @@ export var ComponentBond;
|
|
|
69
69
|
if (aromatic)
|
|
70
70
|
flags |= 16 /* Aromatic */;
|
|
71
71
|
switch (order.toLowerCase()) {
|
|
72
|
-
case 'doub':
|
|
73
72
|
case 'delo':
|
|
73
|
+
flags |= 16 /* Aromatic */;
|
|
74
|
+
break;
|
|
75
|
+
case 'doub':
|
|
74
76
|
ord = 2;
|
|
75
77
|
break;
|
|
76
78
|
case 'trip':
|
|
@@ -111,4 +113,3 @@ export var ComponentBond;
|
|
|
111
113
|
}());
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112
114
|
ComponentBond.Entry = Entry;
|
|
113
115
|
})(ComponentBond || (ComponentBond = {}));
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114
|
-
//# sourceMappingURL=chem_comp.js.map
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@@ -2,6 +2,7 @@
|
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2
2
|
* Copyright (c) 2019-2022 Mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
6
|
*/
|
|
6
7
|
import { CustomPropertyDescriptor } from '../../../../mol-model/custom-property';
|
|
7
8
|
import { IntAdjacencyGraph } from '../../../../mol-math/graph';
|
|
@@ -2,6 +2,7 @@
|
|
|
2
2
|
* Copyright (c) 2019-2022 Mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
|
+
* @author David Sehnal <david.sehnal@gmail.com>
|
|
5
6
|
*/
|
|
6
7
|
import { __assign } from "tslib";
|
|
7
8
|
import { IntAdjacencyGraph } from '../../../../mol-math/graph';
|
|
@@ -26,7 +27,7 @@ export var IndexPairBonds;
|
|
|
26
27
|
IndexPairBonds.Descriptor = {
|
|
27
28
|
name: 'index_pair_bonds',
|
|
28
29
|
};
|
|
29
|
-
IndexPairBonds.Provider = FormatPropertyProvider.create(IndexPairBonds.Descriptor);
|
|
30
|
+
IndexPairBonds.Provider = FormatPropertyProvider.create(IndexPairBonds.Descriptor, { asDynamic: true });
|
|
30
31
|
IndexPairBonds.DefaultProps = {
|
|
31
32
|
/**
|
|
32
33
|
* If negative, test using element-based threshold, otherwise distance in Angstrom.
|
|
@@ -56,4 +57,3 @@ export var IndexPairBonds;
|
|
|
56
57
|
}
|
|
57
58
|
IndexPairBonds.fromData = fromData;
|
|
58
59
|
})(IndexPairBonds || (IndexPairBonds = {}));
|
|
59
|
-
//# sourceMappingURL=index-pair.js.map
|