molstar 2.3.3 → 2.3.8
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/LICENSE +20 -20
- package/README.md +176 -176
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +94 -88
- package/build/viewer/molstar.css +1 -2
- package/build/viewer/molstar.js +1 -1
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/docking-viewer/index.js.map +1 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.d.ts +296 -5
- package/lib/apps/viewer/index.html +94 -88
- package/lib/apps/viewer/index.js +99 -9
- 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.d.ts +4 -4
- package/lib/cli/chem-comp-dict/util.js +2 -2
- package/lib/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/cli/cif2bcif/converter.js +2 -2
- package/lib/cli/cif2bcif/converter.js.map +1 -1
- package/lib/cli/cifschema/index.js +12 -12
- package/lib/cli/cifschema/index.js.map +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/cli/cifschema/util/generate.js +21 -21
- package/lib/cli/cifschema/util/generate.js.map +1 -1
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/cli/cifschema/util/schema.js.map +1 -1
- package/lib/cli/lipid-params/index.js +3 -3
- package/lib/cli/lipid-params/index.js.map +1 -1
- package/lib/cli/state-docs/index.js +4 -4
- package/lib/cli/state-docs/index.js.map +1 -1
- package/lib/cli/state-docs/pd-to-md.js +10 -10
- package/lib/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/cli/structure-info/model.js +18 -18
- package/lib/cli/structure-info/model.js.map +1 -1
- package/lib/cli/structure-info/volume.js +1 -1
- package/lib/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js.map +1 -1
- package/lib/commonjs/apps/docking-viewer/viewport.d.ts +2 -2
- package/lib/commonjs/apps/viewer/index.d.ts +296 -5
- package/lib/commonjs/apps/viewer/index.js +99 -9
- 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.d.ts +6 -6
- package/lib/commonjs/cli/chem-comp-dict/util.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/converter.js +2 -2
- package/lib/commonjs/cli/cif2bcif/converter.js.map +1 -1
- package/lib/commonjs/cli/cif2bcif/index.js +0 -0
- package/lib/commonjs/cli/cifschema/index.js +12 -12
- package/lib/commonjs/cli/cifschema/index.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +19 -19
- package/lib/commonjs/cli/cifschema/util/cif-dic.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +21 -21
- package/lib/commonjs/cli/cifschema/util/generate.js.map +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/cli/cifschema/util/schema.js.map +1 -1
- package/lib/commonjs/cli/lipid-params/index.js +3 -3
- package/lib/commonjs/cli/lipid-params/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/index.js +4 -4
- package/lib/commonjs/cli/state-docs/index.js.map +1 -1
- package/lib/commonjs/cli/state-docs/pd-to-md.js +10 -10
- package/lib/commonjs/cli/state-docs/pd-to-md.js.map +1 -1
- package/lib/commonjs/cli/structure-info/model.js +18 -18
- package/lib/commonjs/cli/structure-info/model.js.map +1 -1
- package/lib/commonjs/cli/structure-info/volume.js +1 -1
- package/lib/commonjs/cli/structure-info/volume.js.map +1 -1
- package/lib/commonjs/examples/basic-wrapper/superposition.js +3 -3
- package/lib/commonjs/examples/basic-wrapper/superposition.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/mapping.js +2 -2
- package/lib/commonjs/examples/domain-annotation-server/mapping.js.map +1 -1
- package/lib/commonjs/examples/domain-annotation-server/server.js +3 -3
- package/lib/commonjs/examples/domain-annotation-server/server.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js +3 -3
- package/lib/commonjs/examples/proteopedia-wrapper/annotation.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/helpers.js.map +1 -1
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js.map +1 -1
- package/lib/commonjs/examples/task.js +6 -6
- package/lib/commonjs/examples/task.js.map +1 -1
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js +2 -2
- package/lib/commonjs/extensions/alpha-orbitals/transforms.js.map +1 -1
- package/lib/commonjs/extensions/anvil/behavior.d.ts +2 -2
- package/lib/commonjs/extensions/anvil/representation.d.ts +5 -5
- package/lib/commonjs/extensions/anvil/representation.js +1 -1
- package/lib/commonjs/extensions/anvil/representation.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/generate.js +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/color/provided.js +1 -1
- package/lib/commonjs/extensions/cellpack/curve.d.ts +2 -2
- package/lib/commonjs/extensions/cellpack/curve.js +2 -2
- package/lib/commonjs/extensions/cellpack/data.d.ts +32 -0
- package/lib/commonjs/extensions/cellpack/index.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/index.js +1 -1
- package/lib/commonjs/extensions/cellpack/model.d.ts +5 -3
- package/lib/commonjs/extensions/cellpack/model.js +203 -65
- package/lib/commonjs/extensions/cellpack/model.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/preset.d.ts +2 -1
- package/lib/commonjs/extensions/cellpack/preset.js +12 -15
- package/lib/commonjs/extensions/cellpack/preset.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/property.d.ts +1 -1
- package/lib/commonjs/extensions/cellpack/property.js +1 -1
- package/lib/commonjs/extensions/cellpack/representation.d.ts +53 -0
- package/lib/commonjs/extensions/cellpack/representation.js +47 -0
- package/lib/commonjs/extensions/cellpack/representation.js.map +1 -0
- package/lib/commonjs/extensions/cellpack/state.d.ts +16 -5
- package/lib/commonjs/extensions/cellpack/state.js +234 -27
- package/lib/commonjs/extensions/cellpack/state.js.map +1 -1
- package/lib/commonjs/extensions/cellpack/util.d.ts +3 -1
- package/lib/commonjs/extensions/cellpack/util.js +34 -6
- package/lib/commonjs/extensions/cellpack/util.js.map +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/behavior.d.ts +1 -1
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +6 -6
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +7 -7
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js.map +1 -1
- package/lib/commonjs/extensions/g3d/data.js +2 -2
- package/lib/commonjs/extensions/g3d/data.js.map +1 -1
- package/lib/commonjs/extensions/g3d/model.js +2 -2
- package/lib/commonjs/extensions/g3d/model.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/controls.js +2 -2
- package/lib/commonjs/extensions/geo-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/glb-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/mesh-exporter.d.ts +1 -1
- package/lib/commonjs/extensions/geo-export/obj-exporter.js +3 -3
- package/lib/commonjs/extensions/geo-export/obj-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js +1 -1
- package/lib/commonjs/extensions/geo-export/stl-exporter.js.map +1 -1
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js +5 -5
- package/lib/commonjs/extensions/geo-export/usdz-exporter.js.map +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js +1 -1
- package/lib/commonjs/extensions/mp4-export/controls.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/behavior.js.map +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js +1 -1
- package/lib/commonjs/extensions/pdbe/structure-quality-report/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +6 -6
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js +3 -3
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.d.ts +12 -12
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/color.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js +2 -2
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/prop.js.map +1 -1
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +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/validation-report/behavior.d.ts +3 -3
- 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 +25 -10
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js +4 -4
- package/lib/commonjs/extensions/rcsb/validation-report/representation.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/camera/util.d.ts +4 -3
- package/lib/commonjs/mol-canvas3d/camera/util.js +15 -16
- package/lib/commonjs/mol-canvas3d/camera/util.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/camera.d.ts +11 -3
- package/lib/commonjs/mol-canvas3d/camera.js +21 -1
- package/lib/commonjs/mol-canvas3d/camera.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +18 -8
- package/lib/commonjs/mol-canvas3d/canvas3d.js +11 -5
- package/lib/commonjs/mol-canvas3d/canvas3d.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/controls/trackball.d.ts +2 -2
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +3 -3
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -1
- 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/helper/interaction-events.d.ts +13 -4
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js +43 -9
- package/lib/commonjs/mol-canvas3d/helper/interaction-events.js.map +1 -1
- package/lib/commonjs/mol-canvas3d/passes/draw.js +1 -0
- 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/pick.d.ts +5 -2
- package/lib/commonjs/mol-canvas3d/passes/pick.js +17 -3
- package/lib/commonjs/mol-canvas3d/passes/pick.js.map +1 -1
- 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 +3 -3
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js +10 -1
- package/lib/commonjs/mol-geo/geometry/direct-volume/direct-volume.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/image/image.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/image/image.js +4 -1
- package/lib/commonjs/mol-geo/geometry/image/image.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js +1 -1
- package/lib/commonjs/mol-geo/geometry/lines/lines.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js +19 -11
- package/lib/commonjs/mol-geo/geometry/mesh/builder/sheet.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.d.ts +2 -2
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js +57 -15
- package/lib/commonjs/mol-geo/geometry/mesh/builder/tube.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +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/points/points.d.ts +3 -3
- package/lib/commonjs/mol-geo/geometry/points/points.js +1 -1
- package/lib/commonjs/mol-geo/geometry/points/points.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -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/text/text.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js +1 -1
- package/lib/commonjs/mol-geo/geometry/text/text.js.map +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +6 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js.map +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js +1 -1
- package/lib/commonjs/mol-geo/primitive/polyhedron.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/cylinders.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/direct-volume.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.d.ts +9 -0
- package/lib/commonjs/mol-gl/_spec/gl.js +33 -0
- package/lib/commonjs/mol-gl/_spec/gl.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/gl.shim.js +5 -5
- package/lib/commonjs/mol-gl/_spec/gl.shim.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/image.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/image.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/lines.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/points.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/renderer.spec.d.ts +7 -1
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js +6 -44
- package/lib/commonjs/mol-gl/_spec/renderer.spec.js.map +1 -1
- package/lib/commonjs/mol-gl/_spec/spheres.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/spheres.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/text.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.d.ts +6 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js +42 -0
- package/lib/commonjs/mol-gl/_spec/texture-mesh.spec.js.map +1 -0
- package/lib/commonjs/mol-gl/compute/grid3d.js +3 -3
- package/lib/commonjs/mol-gl/compute/grid3d.js.map +1 -1
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js +4 -4
- package/lib/commonjs/mol-gl/compute/histogram-pyramid/reduction.js.map +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js +1 -1
- package/lib/commonjs/mol-gl/renderable/util.js.map +1 -1
- package/lib/commonjs/mol-gl/renderer.d.ts +3 -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-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/lines.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/lines.vert.js.map +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/points.vert.js +1 -1
- package/lib/commonjs/mol-gl/shader/points.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 +6 -4
- 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 +6 -3
- package/lib/commonjs/mol-gl/webgl/render-item.js.map +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js +1 -1
- package/lib/commonjs/mol-gl/webgl/resources.js.map +1 -1
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1
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AC,QAAQ,CAAC,aAAa,CAAC,CAAC;YACxD,IAAI,UAAU,IAAI,WAAW,EAAE;gBAC3B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,WAAW,CAAC,QAAQ,EAAE,EAAE,CAAC,EAAE;oBAC3C,IAAM,SAAS,GAAW,UAAU,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;oBAC5C,IAAM,UAAU,GAAG,WAAW,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;oBACtC,IAAI,SAAS,IAAI,KAAK,IAAI,KAAK,CAAC,SAAS,CAAC,KAAK,UAAU,EAAE;wBACvD,OAAO,CAAC,GAAG,CAAC,UAAG,SAAS,wBAAc,KAAK,CAAC,SAAS,CAAC,gCAAsB,UAAU,CAAE,CAAC,CAAC;qBAC7F;oBACD,KAAK,CAAC,SAAS,CAAC,GAAG,UAAU,CAAC;iBACjC;aACJ;SACJ;IACL,CAAC,CAAC,CAAC;IAEH,iBAAiB;IACjB,MAAM,CAAC,IAAI,CAAC,UAAU,CAAC,CAAC,OAAO,CAAC,UAAA,QAAQ;;QACpC,IAAM,CAAC,GAAG,UAAU,CAAC,QAAQ,CAAC,CAAC;QAC/B,IAAI,CAAC,CAAC,EAAE;YACJ,OAAO,CAAC,GAAG,CAAC,WAAI,QAAQ,2BAAwB,CAAC,CAAC;YAClD,OAAO;SACV;QAED,IAAM,YAAY,GAAG,CAAC,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,MAAM,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC;QAC5F,IAAM,QAAQ,GAAG,CAAC,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC,MAAM,CAAC,OAAO,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;QAC/D,IAAI,MAA+B,CAAC;QACpC,IAAI,YAAY,IAAI,MAAM,EAAE;YACxB,MAAM,GAAG,MAAM,CAAC,YAAY,CAAC,CAAC,OAAO,CAAC;YACtC,MAAM,CAAC,YAAY,CAAC,CAAC,GAAG,CAAC,GAAG,CAAC,QAAQ,CAAC,CAAC;SAC1C;aAAM,IAAI,YAAY,CAAC,WAAW,EAAE,IAAI,MAAM,EAAE;YAC7C,gGAAgG;YAChG,MAAM,CAAC,YAAY,CAAC,GAAG,MAAM,CAAC,YAAY,CAAC,WAAW,EAAE,CAAC,CAAC;YAC1D,MAAM,GAAG,MAAM,CAAC,YAAY,CAAC,CAAC,OAAO,CAAC;SACzC;aAAM;YACH,OAAO,CAAC,GAAG,CAAC,oBAAa,YAAY,sBAAmB,CAAC,CAAC;YAC1D,MAAM,GAAG,EAAE,CAAC;YACZ,MAAM,CAAC,YAAY,CAAC,GAAG;gBACnB,WAAW,EAAE,EAAE;gBACf,GAAG,EAAE,IAAI,GAAG,EAAE;gBACd,OAAO,EAAE,MAAM;aAClB,CAAC;SACL;QAED,IAAM,WAAW,GAAG,UAAU,CAAC,CAAC,EAAE,OAAO,EAAE,GAAG,CAAC,CAAC;QAChD,IAAI,WAAW;YAAE,OAAO,CAAC,UAAG,YAAY,cAAI,QAAQ,CAAE,CAAC,GAAG,WAAW,CAAC;QAEtE,IAAM,WAAW,GAAG,cAAc,CAAC,CAAC,EAAE,OAAO,EAAE,GAAG,CAAC,IAAI,EAAE,CAAC;QAE1D,wDAAwD;QACxD,yDAAyD;QACzD,IAAM,WAAW,GAAG,cAAc,CAAC,CAAC,EAAE,OAAO,EAAE,GAAG,CAAC,CAAC;QACpD,IAAI,WAAW,KAAK,sBAAsB,IAAI,WAAW,KAAK,uBAAuB,EAAE;YACnF,MAAM,CAAC,QAAQ,CAAC,GAAG,IAAA,iBAAQ,EAAC,WAAW,CAAC,CAAC;SAC5C;aAAM,IAAI,gBAAgB,CAAC,QAAQ,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;YAC5C,MAAM,CAAC,QAAQ,CAAC,GAAG,IAAA,eAAM,EAAC,WAAW,CAAC,CAAC;YACvC,OAAO,CAAC,GAAG,CAAC,uBAAgB,CAAC,CAAC,MAAM,CAAE,CAAC,CAAC;SAC3C;aAAM,IAAI,mBAAmB,CAAC,QAAQ,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;YAC/C,MAAM,CAAC,QAAQ,CAAC,GAAG,IAAA,iBAAQ,EAAC,WAAW,CAAC,CAAC;YACzC,MAAM,CAAC,uBAAuB,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,GAAG,IAAA,kBAAS,EAAC,CAAC,EAAE,CAAC,EAAE,WAAW,CAAC,CAAC;YACzE,OAAO,CAAC,GAAG,CAAC,0BAAmB,CAAC,CAAC,MAAM,CAAE,CAAC,CAAC;SAC9C;aAAM,IAAI,WAAW,KAAK,QAAQ,EAAE;YACjC,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC,aAAa,EAAE,EAAE,CAAC,CAAC,GAAG,IAAA,kBAAS,EAAC,CAAC,EAAE,CAAC,EAAE,WAAW,CAAC,CAAC;SAC9E;aAAM,IAAI,WAAW,KAAK,QAAQ,EAAE;YACjC,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC,aAAa,EAAE,EAAE,CAAC,CAAC,GAAG,IAAA,kBAAS,EAAC,CAAC,EAAE,WAAW,CAAC,CAAC;SAC3E;aAAM;YACH,IAAI,QAAQ,CAAC,KAAK,CAAC,aAAa,CAAC,EAAE;gBAC/B,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC,aAAa,EAAE,EAAE,CAAC,CAAC,GAAG,IAAA,kBAAS,EAAC,CAAC,EAAE,CAAC,EAAE,WAAW,CAAC,CAAC;gBAC3E,OAAO,CAAC,GAAG,CAAC,UAAG,CAAC,CAAC,MAAM,gDAA6C,CAAC,CAAC;aACzE;iBAAM,IAAI,QAAQ,CAAC,KAAK,CAAC,aAAa,CAAC,EAAE;gBACtC,MAAM,CAAC,QAAQ,CAAC,OAAO,CAAC,aAAa,EAAE,EAAE,CAAC,CAAC,GAAG,IAAA,kBAAS,EAAC,CAAC,EAAE,WAAW,CAAC,CAAC;gBACxE,OAAO,CAAC,GAAG,CAAC,UAAG,CAAC,CAAC,MAAM,gDAA6C,CAAC,CAAC;aACzE;iBAAM;gBACH,IAAM,IAAI,GAAG,OAAO,CAAC,CAAC,EAAE,OAAO,EAAE,GAAG,CAAC,CAAC;gBACtC,IAAI,IAAI,EAAE;oBACN,IAAI,SAAS,GAAG,YAAY,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,WAAW,EAAE,IAAI,CAAC,CAAC,CAAC,EAAE,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;oBACrE,IAAI,SAAS,CAAC,IAAI,KAAK,KAAK,EAAE;wBAC1B,IAAI,2BAA2B,CAAC,QAAQ,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;4BAChD,SAAS,GAAG,IAAA,gBAAO,EAAC,KAAK,EAAE,GAAG,EAAE,WAAW,CAAC,CAAC;4BAC7C,OAAO,CAAC,GAAG,CAAC,mCAA4B,CAAC,CAAC,MAAM,CAAE,CAAC,CAAC;yBACvD;6BAAM,IAAI,2BAA2B,CAAC,QAAQ,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;4BACvD,SAAS,GAAG,IAAA,gBAAO,EAAC,KAAK,EAAE,GAAG,EAAE,WAAW,CAAC,CAAC;4BAC7C,OAAO,CAAC,GAAG,CAAC,mCAA4B,CAAC,CAAC,MAAM,CAAE,CAAC,CAAC;yBACvD;6BAAM,IAAI,+BAA+B,CAAC,QAAQ,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;4BAC3D,SAAS,GAAG,IAAA,gBAAO,EAAC,KAAK,EAAE,GAAG,EAAE,WAAW,CAAC,CAAC;4BAC7C,OAAO,CAAC,GAAG,CAAC,mCAA4B,CAAC,CAAC,MAAM,CAAE,CAAC,CAAC;yBACvD;qBACJ;oBACD,IAAI,CAAC,CAAC,MAAM,IAAI,iBAAiB,EAAE;wBAC/B,IAAI,SAAS,CAAC,IAAI,KAAK,MAAM,EAAE;4BAC3B,CAAA,KAAA,SAAS,CAAC,MAAM,CAAA,CAAC,IAAI,WAAI,iBAAiB,CAAC,CAAC,CAAC,MAAM,CAAC,EAAE;yBACzD;6BAAM;4BACH,OAAO,CAAC,IAAI,CAAC,yBAAkB,CAAC,CAAC,MAAM,CAAE,CAAC,CAAC;yBAC9C;qBACJ;oBACD,MAAM,CAAC,QAAQ,CAAC,GAAG,SAAS,CAAC;iBAChC;qBAAM;oBACH,MAAM,CAAC,QAAQ,CAAC,GAAG,IAAA,eAAM,EAAC,WAAW,CAAC,CAAC;oBACvC,4DAA4D;iBAC/D;aACJ;SACJ;IACL,CAAC,CAAC,CAAC;IAEH,OAAO,EAAE,MAAM,QAAA,EAAE,OAAO,SAAA,EAAE,CAAC;AAC/B,CAAC;AAvKD,wCAuKC"}
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@@ -9,10 +9,10 @@ exports.generate = void 0;
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9
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var string_1 = require("../../../mol-util/string");
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10
10
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var schema_1 = require("../../../mol-io/reader/cif/schema");
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11
11
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function header(name, info, moldataImportPath) {
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12
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-
return "/**\n * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated '"
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12
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+
return "/**\n * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated '".concat(name, "' schema file. ").concat(info, "\n *\n * @author molstar/ciftools package\n */\n\nimport { Database, Column } from '").concat(moldataImportPath, "/db';\n\nimport Schema = Column.Schema;");
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}
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14
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|
function footer(name) {
|
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15
|
-
return "\nexport type "
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15
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+
return "\nexport type ".concat(name, "_Schema = typeof ").concat(name, "_Schema;\nexport interface ").concat(name, "_Database extends Database<").concat(name, "_Schema> {};");
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|
}
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|
17
17
|
function getTypeShorthands(schema, fields) {
|
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18
18
|
var types = new Set();
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@@ -64,31 +64,31 @@ function getTypeDef(c) {
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|
64
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|
case 'float': return 'float';
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65
65
|
case 'coord': return 'coord';
|
|
66
66
|
case 'enum':
|
|
67
|
-
return "Aliased<'"
|
|
67
|
+
return "Aliased<'".concat(c.values.map(function (v) { return v.replace(/'/g, '\\\''); }).join("' | '"), "'>(").concat(c.subType, ")");
|
|
68
68
|
case 'matrix':
|
|
69
|
-
return "Matrix("
|
|
69
|
+
return "Matrix(".concat(c.rows, ", ").concat(c.columns, ")");
|
|
70
70
|
case 'vector':
|
|
71
|
-
return "Vector("
|
|
71
|
+
return "Vector(".concat(c.length, ")");
|
|
72
72
|
case 'list':
|
|
73
73
|
if (c.subType === 'int') {
|
|
74
|
-
return "List('"
|
|
74
|
+
return "List('".concat(c.separator, "', x => parseInt(x, 10))");
|
|
75
75
|
}
|
|
76
76
|
else if (c.subType === 'float' || c.subType === 'coord') {
|
|
77
|
-
return "List('"
|
|
77
|
+
return "List('".concat(c.separator, "', x => parseFloat(x))");
|
|
78
78
|
}
|
|
79
79
|
else {
|
|
80
|
-
return "List('"
|
|
80
|
+
return "List('".concat(c.separator, "', x => x)");
|
|
81
81
|
}
|
|
82
82
|
}
|
|
83
83
|
}
|
|
84
84
|
var reSafePropertyName = /^[a-zA-Z_$][0-9a-zA-Z_$]*$/;
|
|
85
|
-
function safePropertyString(name) { return name.match(reSafePropertyName) ? name : "'"
|
|
85
|
+
function safePropertyString(name) { return name.match(reSafePropertyName) ? name : "'".concat(name, "'"); }
|
|
86
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|
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|
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|
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"".concat((0, string_1.indentString)(description, 1, "".concat(spaces, " * "))).replace(/ +\n/g, '\n'),
|
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|
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|
function generate(name, info, schema, fields, moldataImportPath, addAliases) {
|
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|
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|
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|
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|
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|
|
@@ -123,14 +123,14 @@ function generate(name, info, schema, fields, moldataImportPath, addAliases) {
|
|
|
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|
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|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
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|
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|
|
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|
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|
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|
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|
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|
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|
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codeLines.push("export const "
|
|
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|
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codeLines.push("export const ".concat(name, "_Aliases = {"));
|
|
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|
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|
|
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|
var _a = path.split('.'), table = _a[0], columnName = _a[1];
|
|
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|
if (fields && !fields[table])
|
|
@@ -144,15 +144,15 @@ function generate(name, info, schema, fields, moldataImportPath, addAliases) {
|
|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
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|
+
codeLines.push(" ".concat(safePropertyString(path), ": ["));
|
|
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148
|
filteredAliases.forEach(function (alias) {
|
|
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|
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codeLines.push(" '"
|
|
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|
+
codeLines.push(" '".concat(alias, "',"));
|
|
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150
|
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|
|
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151
|
codeLines.push(' ],');
|
|
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152
|
});
|
|
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|
codeLines.push('};');
|
|
154
154
|
}
|
|
155
|
-
return header(name, info, moldataImportPath)
|
|
155
|
+
return "".concat(header(name, info, moldataImportPath), "\n\n").concat(getTypeShorthands(schema, fields), "\n\n").concat(codeLines.join('\n'), "\n").concat(footer(name));
|
|
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156
|
}
|
|
157
157
|
exports.generate = generate;
|
|
158
158
|
//# sourceMappingURL=generate.js.map
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"generate.js","sourceRoot":"","sources":["../../../../../src/cli/cifschema/util/generate.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAGH,mDAAwD;AACxD,4DAA8D;AAE9D,SAAS,MAAM,CAAC,IAAY,EAAE,IAAY,EAAE,iBAAyB;IACjE,OAAO,
|
|
1
|
+
{"version":3,"file":"generate.js","sourceRoot":"","sources":["../../../../../src/cli/cifschema/util/generate.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAGH,mDAAwD;AACxD,4DAA8D;AAE9D,SAAS,MAAM,CAAC,IAAY,EAAE,IAAY,EAAE,iBAAyB;IACjE,OAAO,yIAGU,IAAI,4BAAkB,IAAI,iGAKX,iBAAiB,4CAEtB,CAAC;AAChC,CAAC;AAED,SAAS,MAAM,CAAC,IAAY;IACxB,OAAO,wBACG,IAAI,8BAAoB,IAAI,wCACvB,IAAI,wCAA8B,IAAI,iBAAc,CAAC;AACxE,CAAC;AAED,SAAS,iBAAiB,CAAC,MAAgB,EAAE,MAAe;IACxD,IAAM,KAAK,GAAG,IAAI,GAAG,EAAU,CAAC;IAChC,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,OAAO,CAAC,UAAA,KAAK;QACpC,IAAI,MAAM,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC;YAAE,OAAO;QAC7B,IAAA,OAAO,GAAK,MAAM,CAAC,MAAM,CAAC,KAAK,CAAC,QAAzB,CAA0B;QACzC,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC,OAAO,CAAC,UAAA,UAAU;YACnC,IAAI,MAAM,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,UAAU,CAAC;gBAAE,OAAO;YACjD,KAAK,CAAC,GAAG,CAAC,MAAM,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,OAAO,CAAC,UAAU,CAAC,CAAC,IAAI,CAAC,CAAC;QAC7D,CAAC,CAAC,CAAC;IACP,CAAC,CAAC,CAAC;IACH,IAAM,UAAU,GAAa,EAAE,CAAC;IAChC,KAAK,CAAC,OAAO,CAAC,UAAA,IAAI;QACd,QAAQ,IAAI,EAAE;YACV,KAAK,KAAK;gBAAE,UAAU,CAAC,IAAI,CAAC,yBAAyB,CAAC,CAAC;gBAAC,MAAM;YAC9D,KAAK,KAAK;gBAAE,UAAU,CAAC,IAAI,CAAC,yBAAyB,CAAC,CAAC;gBAAC,MAAM;YAC9D,KAAK,OAAO;gBAAE,UAAU,CAAC,IAAI,CAAC,6BAA6B,CAAC,CAAC;gBAAC,MAAM;YACpE,KAAK,OAAO;gBAAE,UAAU,CAAC,IAAI,CAAC,6BAA6B,CAAC,CAAC;gBAAC,MAAM;YACpE,KAAK,MAAM;gBAAE,UAAU,CAAC,IAAI,CAAC,iCAAiC,CAAC,CAAC;gBAAC,MAAM;YACvE,KAAK,QAAQ;gBAAE,UAAU,CAAC,IAAI,CAAC,+BAA+B,CAAC,CAAC;gBAAC,MAAM;YACvE,KAAK,QAAQ;gBAAE,UAAU,CAAC,IAAI,CAAC,+BAA+B,CAAC,CAAC;gBAAC,MAAM;YACvE,KAAK,MAAM;gBAAE,UAAU,CAAC,IAAI,CAAC,2BAA2B,CAAC,CAAC;gBAAC,MAAM;SACpE;IACL,CAAC,CAAC,CAAC;IACH,OAAO,UAAU,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;AACjC,CAAC;AAED,SAAS,UAAU,CAAC,CAAS;IACzB,QAAQ,CAAC,CAAC,IAAI,EAAE;QACZ,KAAK,KAAK,CAAC,CAAC,OAAO,KAAK,CAAC;QACzB,KAAK,KAAK,CAAC,CAAC,OAAO,KAAK,CAAC;QACzB,KAAK,OAAO,CAAC,CAAC,OAAO,OAAO,CAAC;QAC7B,KAAK,OAAO,CAAC,CAAC,OAAO,OAAO,CAAC;QAC7B,KAAK,MAAM;YACP,OAAO,mBAAY,CAAC,CAAC,MAAM,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,MAAM,CAAC,EAAvB,CAAuB,CAAC,CAAC,IAAI,CAAC,OAAO,CAAC,gBAAM,CAAC,CAAC,OAAO,MAAG,CAAC;QAClG,KAAK,QAAQ;YACT,OAAO,iBAAU,CAAC,CAAC,IAAI,eAAK,CAAC,CAAC,OAAO,MAAG,CAAC;QAC7C,KAAK,QAAQ;YACT,OAAO,iBAAU,CAAC,CAAC,MAAM,MAAG,CAAC;QACjC,KAAK,MAAM;YACP,IAAI,CAAC,CAAC,OAAO,KAAK,KAAK,EAAE;gBACrB,OAAO,gBAAS,CAAC,CAAC,SAAS,6BAA0B,CAAC;aACzD;iBAAM,IAAI,CAAC,CAAC,OAAO,KAAK,OAAO,IAAI,CAAC,CAAC,OAAO,KAAK,OAAO,EAAE;gBACvD,OAAO,gBAAS,CAAC,CAAC,SAAS,2BAAwB,CAAC;aACvD;iBAAM;gBACH,OAAO,gBAAS,CAAC,CAAC,SAAS,eAAY,CAAC;aAC3C;KACR;AACL,CAAC;AAED,IAAM,kBAAkB,GAAG,4BAA4B,CAAC;AACxD,SAAS,kBAAkB,CAAC,IAAY,IAAI,OAAO,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,WAAI,IAAI,MAAG,CAAC,CAAC,CAAC;AAEzG,SAAS,GAAG,CAAC,WAAmB,EAAE,WAAmB;IACjD,IAAM,MAAM,GAAG,GAAG,CAAC,MAAM,CAAC,WAAW,CAAC,CAAC;IACvC,OAAO;QACH,UAAG,MAAM,QAAK;QACd,UAAG,IAAA,qBAAY,EAAC,WAAW,EAAE,CAAC,EAAE,UAAG,MAAM,QAAK,CAAC,CAAE,CAAC,OAAO,CAAC,OAAO,EAAE,IAAI,CAAC;QACxE,UAAG,MAAM,QAAK;KACjB,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;AACjB,CAAC;AAED,SAAgB,QAAQ,CAAC,IAAY,EAAE,IAAY,EAAE,MAAgB,EAAE,MAA0B,EAAE,iBAAyB,EAAE,UAAmB;IAC7I,IAAM,SAAS,GAAa,EAAE,CAAC;IAE/B,IAAI,MAAM,EAAE;QACR,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,OAAO,CAAC,UAAA,KAAK;YAC7B,IAAI,KAAK,IAAI,MAAM,CAAC,MAAM,EAAE;gBACxB,IAAM,aAAW,GAAG,MAAM,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC;gBACzC,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,OAAO,CAAC,UAAA,MAAM;oBACrC,IAAI,CAAC,CAAC,MAAM,IAAI,aAAW,CAAC,OAAO,CAAC,EAAE;wBAClC,OAAO,CAAC,GAAG,CAAC,wBAAiB,KAAK,cAAI,MAAM,0BAAuB,CAAC,CAAC;qBACxE;gBACL,CAAC,CAAC,CAAC;aACN;iBAAM;gBACH,OAAO,CAAC,GAAG,CAAC,2BAAoB,KAAK,0BAAuB,CAAC,CAAC;aACjE;QACL,CAAC,CAAC,CAAC;KACN;IAED,SAAS,CAAC,IAAI,CAAC,uBAAgB,IAAI,gBAAa,CAAC,CAAC;IAClD,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,OAAO,CAAC,UAAA,KAAK;QACpC,IAAI,MAAM,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC;YAAE,OAAO;QAC/B,IAAA,KAA2B,MAAM,CAAC,MAAM,CAAC,KAAK,CAAC,EAA7C,WAAW,iBAAA,EAAE,OAAO,aAAyB,CAAC;QACtD,IAAI,WAAW;YAAE,SAAS,CAAC,IAAI,CAAC,GAAG,CAAC,WAAW,EAAE,CAAC,CAAC,CAAC,CAAC;QACrD,SAAS,CAAC,IAAI,CAAC,cAAO,kBAAkB,CAAC,KAAK,CAAC,QAAK,CAAC,CAAC;QACtD,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC,OAAO,CAAC,UAAA,UAAU;YACnC,IAAI,MAAM,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,UAAU,CAAC;gBAAE,OAAO;YACjD,IAAM,CAAC,GAAG,OAAO,CAAC,UAAU,CAAC,CAAC;YAC9B,IAAM,OAAO,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC;YAC9B,IAAI,CAAC,CAAC,WAAW;gBAAE,SAAS,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,WAAW,EAAE,CAAC,CAAC,CAAC,CAAC;YACzD,SAAS,CAAC,IAAI,CAAC,kBAAW,kBAAkB,CAAC,UAAU,CAAC,eAAK,OAAO,MAAG,CAAC,CAAC;QAC7E,CAAC,CAAC,CAAC;QACH,SAAS,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;IAC7B,CAAC,CAAC,CAAC;IACH,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;IAErB,IAAI,UAAU,EAAE;QACZ,SAAS,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QACnB,SAAS,CAAC,IAAI,CAAC,uBAAgB,IAAI,iBAAc,CAAC,CAAC;QACnD,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,OAAO,CAAC,UAAA,IAAI;YAC9B,IAAA,KAAsB,IAAI,CAAC,KAAK,CAAC,GAAG,CAAC,EAApC,KAAK,QAAA,EAAE,UAAU,QAAmB,CAAC;YAC5C,IAAI,MAAM,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC;gBAAE,OAAO;YACrC,IAAI,MAAM,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,UAAU,CAAC;gBAAE,OAAO;YAEjD,IAAM,eAAe,GAAG,IAAI,GAAG,EAAU,CAAC;YAC1C,MAAM,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,OAAO,CAAC,UAAA,CAAC;gBAC1B,IAAI,CAAC,kBAAS,CAAC,KAAK,CAAC,CAAC,EAAE,IAAI,CAAC;oBAAE,eAAe,CAAC,GAAG,CAAC,kBAAS,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,CAAC;YAC/E,CAAC,CAAC,CAAC;YAEH,IAAI,eAAe,CAAC,IAAI,KAAK,CAAC;gBAAE,OAAO;YACvC,SAAS,CAAC,IAAI,CAAC,cAAO,kBAAkB,CAAC,IAAI,CAAC,QAAK,CAAC,CAAC;YACrD,eAAe,CAAC,OAAO,CAAC,UAAA,KAAK;gBACzB,SAAS,CAAC,IAAI,CAAC,mBAAY,KAAK,OAAI,CAAC,CAAC;YAC1C,CAAC,CAAC,CAAC;YACH,SAAS,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;QAC7B,CAAC,CAAC,CAAC;QACH,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;KACxB;IAED,OAAO,UAAG,MAAM,CAAC,IAAI,EAAE,IAAI,EAAE,iBAAiB,CAAC,iBAAO,iBAAiB,CAAC,MAAM,EAAE,MAAM,CAAC,iBAAO,SAAS,CAAC,IAAI,CAAC,IAAI,CAAC,eAAK,MAAM,CAAC,IAAI,CAAC,CAAE,CAAC;AAC1I,CAAC;AA3DD,4BA2DC"}
|
|
@@ -41,7 +41,7 @@ function mergeFilters() {
|
|
|
41
41
|
filters.forEach(function (filter) {
|
|
42
42
|
Object.keys(filter).forEach(function (category) {
|
|
43
43
|
Object.keys(filter[category]).forEach(function (field) {
|
|
44
|
-
var key = category
|
|
44
|
+
var key = "".concat(category, ".").concat(field);
|
|
45
45
|
var value = fields.get(key) || 0;
|
|
46
46
|
fields.set(key, value + 1);
|
|
47
47
|
});
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"schema.js","sourceRoot":"","sources":["../../../../../src/cli/cifschema/util/schema.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAgBH,SAAgB,MAAM,CAAC,WAAmB,IAAY,OAAO,EAAE,IAAI,EAAE,KAAK,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAA5F,wBAA4F;AAG5F,SAAgB,MAAM,CAAC,WAAmB,IAAY,OAAO,EAAE,IAAI,EAAE,KAAK,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAA5F,wBAA4F;AAG5F,SAAgB,QAAQ,CAAC,WAAmB,IAAc,OAAO,EAAE,IAAI,EAAE,OAAO,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAAlG,4BAAkG;AAGlG,SAAgB,QAAQ,CAAC,WAAmB,IAAc,OAAO,EAAE,IAAI,EAAE,OAAO,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAAlG,4BAAkG;AAGlG,SAAgB,OAAO,CAAC,MAAgB,EAAE,OAAsB,EAAE,WAAmB;IACjF,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,WAAW,aAAA,EAAE,MAAM,QAAA,EAAE,OAAO,SAAA,EAAE,CAAC;AAC1D,CAAC;AAFD,0BAEC;AAGD,SAAgB,SAAS,CAAC,MAAc,EAAE,WAAmB;IACzD,OAAO,EAAE,IAAI,EAAE,QAAQ,EAAE,WAAW,aAAA,EAAE,MAAM,QAAA,EAAE,CAAC;AACnD,CAAC;AAFD,8BAEC;AAGD,SAAgB,SAAS,CAAC,OAAe,EAAE,IAAY,EAAE,WAAmB;IACxE,OAAO,EAAE,IAAI,EAAE,QAAQ,EAAE,WAAW,aAAA,EAAE,OAAO,SAAA,EAAE,IAAI,MAAA,EAAE,CAAC;AAC1D,CAAC;AAFD,8BAEC;AAGD,SAAgB,OAAO,CAAC,OAA0C,EAAE,SAAiB,EAAE,WAAmB;IACtG,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,WAAW,aAAA,EAAE,SAAS,WAAA,EAAE,OAAO,SAAA,EAAE,CAAC;AAC7D,CAAC;AAFD,0BAEC;AAID,SAAgB,YAAY;IAAC,iBAAoB;SAApB,UAAoB,EAApB,qBAAoB,EAApB,IAAoB;QAApB,4BAAoB;;IAC7C,IAAM,CAAC,GAAG,OAAO,CAAC,MAAM,CAAC;IACzB,IAAM,YAAY,GAAW,EAAE,CAAC;IAChC,IAAM,MAAM,GAAwB,IAAI,GAAG,EAAE,CAAC;IAC9C,OAAO,CAAC,OAAO,CAAC,UAAA,MAAM;QAClB,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,OAAO,CAAC,UAAA,QAAQ;YAChC,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC,CAAC,OAAO,CAAC,UAAA,KAAK;gBACvC,IAAM,GAAG,
|
|
1
|
+
{"version":3,"file":"schema.js","sourceRoot":"","sources":["../../../../../src/cli/cifschema/util/schema.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAgBH,SAAgB,MAAM,CAAC,WAAmB,IAAY,OAAO,EAAE,IAAI,EAAE,KAAK,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAA5F,wBAA4F;AAG5F,SAAgB,MAAM,CAAC,WAAmB,IAAY,OAAO,EAAE,IAAI,EAAE,KAAK,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAA5F,wBAA4F;AAG5F,SAAgB,QAAQ,CAAC,WAAmB,IAAc,OAAO,EAAE,IAAI,EAAE,OAAO,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAAlG,4BAAkG;AAGlG,SAAgB,QAAQ,CAAC,WAAmB,IAAc,OAAO,EAAE,IAAI,EAAE,OAAO,EAAE,WAAW,aAAA,EAAE,CAAC,CAAC,CAAC;AAAlG,4BAAkG;AAGlG,SAAgB,OAAO,CAAC,MAAgB,EAAE,OAAsB,EAAE,WAAmB;IACjF,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,WAAW,aAAA,EAAE,MAAM,QAAA,EAAE,OAAO,SAAA,EAAE,CAAC;AAC1D,CAAC;AAFD,0BAEC;AAGD,SAAgB,SAAS,CAAC,MAAc,EAAE,WAAmB;IACzD,OAAO,EAAE,IAAI,EAAE,QAAQ,EAAE,WAAW,aAAA,EAAE,MAAM,QAAA,EAAE,CAAC;AACnD,CAAC;AAFD,8BAEC;AAGD,SAAgB,SAAS,CAAC,OAAe,EAAE,IAAY,EAAE,WAAmB;IACxE,OAAO,EAAE,IAAI,EAAE,QAAQ,EAAE,WAAW,aAAA,EAAE,OAAO,SAAA,EAAE,IAAI,MAAA,EAAE,CAAC;AAC1D,CAAC;AAFD,8BAEC;AAGD,SAAgB,OAAO,CAAC,OAA0C,EAAE,SAAiB,EAAE,WAAmB;IACtG,OAAO,EAAE,IAAI,EAAE,MAAM,EAAE,WAAW,aAAA,EAAE,SAAS,WAAA,EAAE,OAAO,SAAA,EAAE,CAAC;AAC7D,CAAC;AAFD,0BAEC;AAID,SAAgB,YAAY;IAAC,iBAAoB;SAApB,UAAoB,EAApB,qBAAoB,EAApB,IAAoB;QAApB,4BAAoB;;IAC7C,IAAM,CAAC,GAAG,OAAO,CAAC,MAAM,CAAC;IACzB,IAAM,YAAY,GAAW,EAAE,CAAC;IAChC,IAAM,MAAM,GAAwB,IAAI,GAAG,EAAE,CAAC;IAC9C,OAAO,CAAC,OAAO,CAAC,UAAA,MAAM;QAClB,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,OAAO,CAAC,UAAA,QAAQ;YAChC,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC,CAAC,OAAO,CAAC,UAAA,KAAK;gBACvC,IAAM,GAAG,GAAG,UAAG,QAAQ,cAAI,KAAK,CAAE,CAAC;gBACnC,IAAM,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC;gBACnC,MAAM,CAAC,GAAG,CAAC,GAAG,EAAE,KAAK,GAAG,CAAC,CAAC,CAAC;YAC/B,CAAC,CAAC,CAAC;QACP,CAAC,CAAC,CAAC;IACP,CAAC,CAAC,CAAC;IACH,MAAM,CAAC,OAAO,CAAC,UAAC,CAAC,EAAE,CAAC;QAChB,IAAI,CAAC,KAAK,CAAC;YAAE,OAAO;QACd,IAAA,KAA4B,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,EAAvC,YAAY,QAAA,EAAE,SAAS,QAAgB,CAAC;QAC/C,IAAI,YAAY,IAAI,YAAY,EAAE;YAC9B,YAAY,CAAC,YAAY,CAAC,CAAC,SAAS,CAAC,GAAG,IAAI,CAAC;SAChD;aAAM;YACH,YAAY,CAAC,YAAY,CAAC,GAAG,EAAE,SAAS,EAAE,IAAI,EAAE,CAAC;SACpD;IACL,CAAC,CAAC,CAAC;IACH,OAAO,YAAY,CAAC;AACxB,CAAC;AAvBD,oCAuBC"}
|
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@@ -23,7 +23,7 @@ function ensureAvailable(path, url) {
|
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case 0:
|
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|
if (!(FORCE_DOWNLOAD || !fs.existsSync(path))) return [3 /*break*/, 3];
|
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|
name_1 = url.substr(url.lastIndexOf('/') + 1);
|
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console.log("downloading "
|
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+
console.log("downloading ".concat(name_1, "..."));
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return [4 /*yield*/, (0, node_fetch_1.default)(url)];
|
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case 1:
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data = _d.sent();
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@@ -35,7 +35,7 @@ function ensureAvailable(path, url) {
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return [4 /*yield*/, data.text()];
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case 2:
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_b.apply(_a, _c.concat([_d.sent()]));
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console.log("done downloading "
|
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+
console.log("done downloading ".concat(name_1));
|
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_d.label = 3;
|
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case 3: return [2 /*return*/];
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}
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@@ -74,7 +74,7 @@ function run(out) {
|
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}
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|
lipidNames = JSON.stringify(lipids.array);
|
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if (out) {
|
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|
-
output = "/**\n * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated lipid params file. Names extracted from Martini FF lipids itp.\n *\n * @author molstar/lipid-params cli\n */\n\nexport const LipidNames = new Set("
|
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|
+
output = "/**\n * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.\n *\n * Code-generated lipid params file. Names extracted from Martini FF lipids itp.\n *\n * @author molstar/lipid-params cli\n */\n\nexport const LipidNames = new Set(".concat(lipidNames.replace(/"/g, "'").replace(/,/g, ', '), ");\n");
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fs.writeFileSync(out, output);
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}
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|
else {
|
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@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/cli/lipid-params/index.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,8DAAqC;AACrC,kDAAyB;AACzB,sDAA6B;AAC7B,uEAA+B;AAC/B,kDAAqD;AAErD,IAAM,UAAU,GAAG,IAAI,CAAC,OAAO,CAAC,SAAS,EAAE,2BAA2B,CAAC,CAAC;AAExE,IAAM,mBAAmB,GAAG,IAAI,CAAC,OAAO,CAAC,UAAU,EAAE,oBAAoB,CAAC,CAAC;AAC3E,IAAM,kBAAkB,GAAG,iGAAiG,CAAC;AAE7H,SAAe,eAAe,CAAC,IAAY,EAAE,GAAW;;;;;;yBAChD,CAAA,cAAc,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,IAAI,CAAC,CAAA,EAAtC,wBAAsC;oBAChC,SAAO,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,WAAW,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;oBAClD,OAAO,CAAC,GAAG,CAAC,
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/cli/lipid-params/index.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,8DAAqC;AACrC,kDAAyB;AACzB,sDAA6B;AAC7B,uEAA+B;AAC/B,kDAAqD;AAErD,IAAM,UAAU,GAAG,IAAI,CAAC,OAAO,CAAC,SAAS,EAAE,2BAA2B,CAAC,CAAC;AAExE,IAAM,mBAAmB,GAAG,IAAI,CAAC,OAAO,CAAC,UAAU,EAAE,oBAAoB,CAAC,CAAC;AAC3E,IAAM,kBAAkB,GAAG,iGAAiG,CAAC;AAE7H,SAAe,eAAe,CAAC,IAAY,EAAE,GAAW;;;;;;yBAChD,CAAA,cAAc,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,IAAI,CAAC,CAAA,EAAtC,wBAAsC;oBAChC,SAAO,GAAG,CAAC,MAAM,CAAC,GAAG,CAAC,WAAW,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;oBAClD,OAAO,CAAC,GAAG,CAAC,sBAAe,MAAI,QAAK,CAAC,CAAC;oBACzB,qBAAM,IAAA,oBAAK,EAAC,GAAG,CAAC,EAAA;;oBAAvB,IAAI,GAAG,SAAgB;oBAC7B,IAAI,CAAC,EAAE,CAAC,UAAU,CAAC,UAAU,CAAC,EAAE;wBAC5B,EAAE,CAAC,SAAS,CAAC,UAAU,CAAC,CAAC;qBAC5B;oBACD,KAAA,CAAA,KAAA,EAAE,CAAA,CAAC,aAAa,CAAA;0BAAC,IAAI;oBAAE,qBAAM,IAAI,CAAC,IAAI,EAAE,EAAA;;oBAAxC,wBAAuB,SAAiB,GAAC,CAAC;oBAC1C,OAAO,CAAC,GAAG,CAAC,2BAAoB,MAAI,CAAE,CAAC,CAAC;;;;;;CAE/C;AAED,SAAe,qBAAqB;;;oBAAK,qBAAM,eAAe,CAAC,mBAAmB,EAAE,kBAAkB,CAAC,EAAA;;gBAA9D,SAA8D,CAAC;;;;CAAE;AAE1G,IAAM,WAAW,GAAG,CAAC,MAAM,CAAC,CAAC;AAE7B,SAAe,GAAG,CAAC,GAAW;;;;;wBAC1B,qBAAM,qBAAqB,EAAE,EAAA;;oBAA7B,SAA6B,CAAC;oBACxB,YAAY,GAAG,EAAE,CAAC,YAAY,CAAC,mBAAmB,EAAE,MAAM,CAAC,CAAC;oBAE5D,MAAM,GAAG,qBAAW,CAAC,MAAM,EAAU,CAAC;oBACtC,OAAO,GAAG,6DAA6D,CAAC;oBAG9E,OAAO,CAAC,CAAC,GAAG,OAAO,CAAC,IAAI,CAAC,YAAY,CAAC,CAAC,KAAK,IAAI,EAAE;wBACxC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,WAAW,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;wBACjD,qBAAW,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;qBACjC;oBAED,WAA2B,EAAX,2BAAW,EAAX,yBAAW,EAAX,IAAW,EAAE;wBAAlB,CAAC;wBACR,qBAAW,CAAC,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;qBACjC;oBAEK,UAAU,GAAG,IAAI,CAAC,SAAS,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC;oBAEhD,IAAI,GAAG,EAAE;wBACC,MAAM,GAAG,qRAQa,UAAU,CAAC,OAAO,CAAC,IAAI,EAAE,GAAG,CAAC,CAAC,OAAO,CAAC,IAAI,EAAE,IAAI,CAAC,SACpF,CAAC;wBACM,EAAE,CAAC,aAAa,CAAC,GAAG,EAAE,MAAM,CAAC,CAAC;qBACjC;yBAAM;wBACH,OAAO,CAAC,GAAG,CAAC,UAAU,CAAC,CAAC;qBAC3B;;;;;CACJ;AAED,IAAM,MAAM,GAAG,IAAI,QAAQ,CAAC,cAAc,CAAC;IACvC,QAAQ,EAAE,IAAI;IACd,WAAW,EAAE,+CAA+C;CAC/D,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,OAAO,EAAE,IAAI,EAAE;IAC/B,IAAI,EAAE,oEAAoE;CAC7E,CAAC,CAAC;AACH,MAAM,CAAC,YAAY,CAAC,iBAAiB,EAAE,IAAI,EAAE;IACzC,MAAM,EAAE,YAAY;IACpB,IAAI,EAAE,sCAAsC;CAC/C,CAAC,CAAC;AAKH,IAAM,IAAI,GAAS,MAAM,CAAC,UAAU,EAAE,CAAC;AAEvC,IAAM,cAAc,GAAG,IAAI,CAAC,aAAa,CAAC;AAE1C,GAAG,CAAC,IAAI,CAAC,GAAG,IAAI,EAAE,CAAC,CAAC,KAAK,CAAC,UAAA,CAAC;IACvB,OAAO,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC;AACrB,CAAC,CAAC,CAAC"}
|
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@@ -27,10 +27,10 @@ function typeToString(o) {
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|
return o.map(function (o) { return o.name; }).join(' | ');
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|
}
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|
function writeTransformer(t) {
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|
-
mol_util_1.StringBuilder.write(builder, "## <a name=\""
|
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|
+
mol_util_1.StringBuilder.write(builder, "## <a name=\"".concat(t.id.replace('.', '-'), "\"></a>").concat(t.id, " :: ").concat(typeToString(t.definition.from), " -> ").concat(typeToString(t.definition.to)));
|
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|
mol_util_1.StringBuilder.newline(builder);
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32
|
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|
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|
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mol_util_1.StringBuilder.write(builder, "*"
|
|
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|
+
mol_util_1.StringBuilder.write(builder, "*".concat(t.definition.display.description, "*"));
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mol_util_1.StringBuilder.newline(builder);
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|
}
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mol_util_1.StringBuilder.newline(builder);
|
|
@@ -42,7 +42,7 @@ function writeTransformer(t) {
|
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|
mol_util_1.StringBuilder.newline(builder);
|
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|
mol_util_1.StringBuilder.write(builder, "### Default Parameters");
|
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|
mol_util_1.StringBuilder.newline(builder);
|
|
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|
-
mol_util_1.StringBuilder.write(builder, "```js\n"
|
|
45
|
+
mol_util_1.StringBuilder.write(builder, "```js\n".concat(JSON.stringify(param_definition_1.ParamDefinition.getDefaultValues(params), null, 2), "\n```"));
|
|
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46
|
mol_util_1.StringBuilder.newline(builder);
|
|
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47
|
}
|
|
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48
|
mol_util_1.StringBuilder.write(builder, '----------------------------');
|
|
@@ -53,7 +53,7 @@ mol_util_1.StringBuilder.write(builder, '# Mol* Plugin State Transformer Referen
|
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|
53
53
|
mol_util_1.StringBuilder.newline(builder);
|
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|
mol_util_1.StringBuilder.newline(builder);
|
|
55
55
|
transformers.forEach(function (t) {
|
|
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|
-
mol_util_1.StringBuilder.write(builder, "* ["
|
|
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|
+
mol_util_1.StringBuilder.write(builder, "* [".concat(t.id, "](#").concat(t.id.replace('.', '-'), ")"));
|
|
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|
mol_util_1.StringBuilder.newline(builder);
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|
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mol_util_1.StringBuilder.newline(builder);
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/cli/state-docs/index.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,gFAAuD;AACvD,6CAAgE;AAChE,2CAA+C;AAC/C,kDAAyB;AACzB,uCAAwC;AACxC,oDAAyD;AACzD,oEAAkE;AAElE,sCAAsC;AACtC,CAAC,CAAC,eAAe,CAAC,IAAI,CAAC,QAAQ,CAAC,EAAE,CAAC;AAEnC,uBAAuB;AACvB,IAAM,GAAG,GAAG,IAAI,uBAAa,CAAC;IAC1B,SAAS,EAAE,EAAE;CAChB,CAAC,CAAC;AAEH,IAAM,OAAO,GAAG,wBAAa,CAAC,MAAM,EAAE,CAAC;AAEvC,SAAS,YAAY,CAAC,CAAqB;IACvC,IAAI,CAAC,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAI,CAAC;IAChC,OAAO,CAAC,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,EAAN,CAAM,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;AAC1C,CAAC;AAED,SAAS,gBAAgB,CAAC,CAAmB;IACzC,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,
|
|
1
|
+
{"version":3,"file":"index.js","sourceRoot":"","sources":["../../../../src/cli/state-docs/index.ts"],"names":[],"mappings":";;AACA;;;;GAIG;;;AAEH,gFAAuD;AACvD,6CAAgE;AAChE,2CAA+C;AAC/C,kDAAyB;AACzB,uCAAwC;AACxC,oDAAyD;AACzD,oEAAkE;AAElE,sCAAsC;AACtC,CAAC,CAAC,eAAe,CAAC,IAAI,CAAC,QAAQ,CAAC,EAAE,CAAC;AAEnC,uBAAuB;AACvB,IAAM,GAAG,GAAG,IAAI,uBAAa,CAAC;IAC1B,SAAS,EAAE,EAAE;CAChB,CAAC,CAAC;AAEH,IAAM,OAAO,GAAG,wBAAa,CAAC,MAAM,EAAE,CAAC;AAEvC,SAAS,YAAY,CAAC,CAAqB;IACvC,IAAI,CAAC,CAAC,MAAM,KAAK,CAAC;QAAE,OAAO,IAAI,CAAC;IAChC,OAAO,CAAC,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,CAAC,CAAC,IAAI,EAAN,CAAM,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;AAC1C,CAAC;AAED,SAAS,gBAAgB,CAAC,CAAmB;IACzC,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,uBAAe,CAAC,CAAC,EAAE,CAAC,OAAO,CAAC,GAAG,EAAE,GAAG,CAAC,oBAAS,CAAC,CAAC,EAAE,iBAAO,YAAY,CAAC,CAAC,CAAC,UAAU,CAAC,IAAI,CAAC,iBAAO,YAAY,CAAC,CAAC,CAAC,UAAU,CAAC,EAAE,CAAC,CAAE,CAAC,CAAC;IAC7J,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;IAC/B,IAAI,CAAC,CAAC,UAAU,CAAC,OAAO,CAAC,WAAW,EAAE;QAClC,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,WAAI,CAAC,CAAC,UAAU,CAAC,OAAO,CAAC,WAAW,MAAG,CAAC,CAAC;QACtE,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;KAClC;IACD,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;IAC/B,IAAI,CAAC,CAAC,UAAU,CAAC,MAAM,EAAE;QACrB,IAAM,MAAM,GAAG,CAAC,CAAC,UAAU,CAAC,MAAM,CAAC,KAAK,CAAC,EAAE,GAAG,CAAC,CAAC;QAChD,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,gBAAgB,CAAC,CAAC;QAC/C,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;QAC/B,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,IAAA,qBAAU,EAAC,MAAM,CAAC,CAAC,CAAC;QACjD,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;QAE/B,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,wBAAwB,CAAC,CAAC;QACvD,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;QAC/B,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,iBAAa,IAAI,CAAC,SAAS,CAAC,kCAAe,CAAC,gBAAgB,CAAC,MAAM,CAAC,EAAE,IAAI,EAAE,CAAC,CAAC,UAAU,CAAC,CAAC;QACvH,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;KAClC;IACD,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,8BAA8B,CAAC,CAAC;IAC7D,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;AACnC,CAAC;AAED,IAAM,YAAY,GAAG,4BAAgB,CAAC,MAAM,EAAE,CAAC;AAE/C,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,2CAA2C,CAAC,CAAC;AAC1E,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;AAC/B,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;AAC/B,YAAY,CAAC,OAAO,CAAC,UAAA,CAAC;IAClB,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,aAAM,CAAC,CAAC,EAAE,gBAAM,CAAC,CAAC,EAAE,CAAC,OAAO,CAAC,GAAG,EAAE,GAAG,CAAC,MAAG,CAAC,CAAC;IACxE,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;AACnC,CAAC,CAAC,CAAC;AACH,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;AAC/B,wBAAa,CAAC,KAAK,CAAC,OAAO,EAAE,8BAA8B,CAAC,CAAC;AAC7D,wBAAa,CAAC,OAAO,CAAC,OAAO,CAAC,CAAC;AAC/B,YAAY,CAAC,OAAO,CAAC,UAAA,CAAC,IAAI,OAAA,gBAAgB,CAAC,CAAC,CAAC,EAAnB,CAAmB,CAAC,CAAC;AAE/C,EAAE,CAAC,aAAa,CAAC,0BAA0B,EAAE,wBAAa,CAAC,SAAS,CAAC,OAAO,CAAC,CAAC,CAAC"}
|
|
@@ -18,7 +18,7 @@ function paramInfo(param, offset) {
|
|
|
18
18
|
case 'number': return 'Numeric value';
|
|
19
19
|
case 'converted': return paramInfo(param.converted, offset);
|
|
20
20
|
case 'conditioned': return getParams(param.conditionParams, offset);
|
|
21
|
-
case 'multi-select': return "Array of "
|
|
21
|
+
case 'multi-select': return "Array of ".concat(oToS(param.options));
|
|
22
22
|
case 'color': return 'Color as 0xrrggbb';
|
|
23
23
|
case 'color-list': return "A list of colors as 0xrrggbb";
|
|
24
24
|
case 'vec3': return "3D vector [x, y, z]";
|
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@@ -26,25 +26,25 @@ function paramInfo(param, offset) {
|
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case 'url': return "URL couple with unique identifier";
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case 'file': return "JavaScript File Handle";
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case 'file-list': return "JavaScript FileList Handle";
|
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-
case 'select': return "One of "
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+
case 'select': return "One of ".concat(oToS(param.options));
|
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case 'value-ref': return "Reference to a runtime defined value.";
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case 'data-ref': return "Reference to a computed data value.";
|
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case 'text': return 'String';
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|
case 'interval': return "Interval [min, max]";
|
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-
case 'group': return "Object with:\n"
|
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-
case 'mapped': return "Object { name: string, params: object } where name+params are:\n"
|
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+
case 'group': return "Object with:\n".concat(getParams(param.params, offset + 2));
|
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|
+
case 'mapped': return "Object { name: string, params: object } where name+params are:\n".concat(getMapped(param, offset + 2));
|
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|
case 'line-graph': return "A list of 2d vectors [xi, yi][]";
|
|
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|
-
case 'object-list': return "Array of\n"
|
|
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|
+
case 'object-list': return "Array of\n".concat(paramInfo(param_definition_1.ParamDefinition.Group(param.element), offset + 2));
|
|
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|
// TODO: support more languages
|
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39
|
case 'script': return "An expression in the specified language { language: 'mol-script', expressiong: string }";
|
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|
default:
|
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|
var _ = param;
|
|
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|
-
console.warn(_
|
|
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|
+
console.warn("".concat(_, " has no associated UI component"));
|
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|
return '';
|
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44
|
}
|
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45
|
}
|
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|
function oToS(options) {
|
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|
-
return options.map(function (o) { return "'"
|
|
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+
return options.map(function (o) { return "'".concat(o[0], "'"); }).join(', ');
|
|
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|
}
|
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|
function offsetS(n) {
|
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|
return new Array(n + 1).join(' ') + '- ';
|
|
@@ -54,7 +54,7 @@ function getMapped(param, offset) {
|
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|
for (var _i = 0, _a = param.select.options; _i < _a.length; _i++) {
|
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|
var n = _a[_i][0];
|
|
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|
ret += offsetS(offset);
|
|
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|
-
ret += "**"
|
|
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|
+
ret += "**".concat(n, "**:\n");
|
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ret += paramInfo(param.map(n), offset + 2);
|
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|
ret += '\n';
|
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}
|
|
@@ -66,12 +66,12 @@ function getParams(params, offset) {
|
|
|
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|
var k = _a[_i];
|
|
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|
var param = params[k];
|
|
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|
ret += offsetS(offset);
|
|
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|
-
ret += "**"
|
|
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|
+
ret += "**".concat(k, "**").concat(param.isOptional ? '?:' : ':', " ").concat(paramInfo(param, offset));
|
|
70
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|
// if (param.defaultValue) {
|
|
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|
// ret += ` = ${JSON.stringify(param.defaultValue)}`;
|
|
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|
// }
|
|
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|
if (param.description) {
|
|
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|
-
ret += " *("
|
|
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|
+
ret += " *(".concat(param.description, ")*");
|
|
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|
}
|
|
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|
ret += '\n';
|
|
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|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"pd-to-md.js","sourceRoot":"","sources":["../../../../src/cli/state-docs/pd-to-md.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,oEAAwE;AAExE,SAAgB,UAAU,CAAC,MAAiB;IACxC,OAAO,SAAS,CAAC,MAAM,EAAE,CAAC,CAAC,CAAC;AAChC,CAAC;AAFD,gCAEC;AAED,SAAS,SAAS,CAAC,KAAa,EAAE,MAAc;IAC5C,QAAQ,KAAK,CAAC,IAAI,EAAE;QAChB,KAAK,OAAO,CAAC,CAAC,OAAO,OAAO,CAAC;QAC7B,KAAK,SAAS,CAAC,CAAC,OAAO,YAAY,CAAC;QACpC,KAAK,QAAQ,CAAC,CAAC,OAAO,eAAe,CAAC;QACtC,KAAK,WAAW,CAAC,CAAC,OAAO,SAAS,CAAC,KAAK,CAAC,SAAS,EAAE,MAAM,CAAC,CAAC;QAC5D,KAAK,aAAa,CAAC,CAAC,OAAO,SAAS,CAAC,KAAK,CAAC,eAAe,EAAE,MAAM,CAAC,CAAC;QACpE,KAAK,cAAc,CAAC,CAAC,OAAO,
|
|
1
|
+
{"version":3,"file":"pd-to-md.js","sourceRoot":"","sources":["../../../../src/cli/state-docs/pd-to-md.ts"],"names":[],"mappings":";AAAA;;;;GAIG;;;AAEH,oEAAwE;AAExE,SAAgB,UAAU,CAAC,MAAiB;IACxC,OAAO,SAAS,CAAC,MAAM,EAAE,CAAC,CAAC,CAAC;AAChC,CAAC;AAFD,gCAEC;AAED,SAAS,SAAS,CAAC,KAAa,EAAE,MAAc;IAC5C,QAAQ,KAAK,CAAC,IAAI,EAAE;QAChB,KAAK,OAAO,CAAC,CAAC,OAAO,OAAO,CAAC;QAC7B,KAAK,SAAS,CAAC,CAAC,OAAO,YAAY,CAAC;QACpC,KAAK,QAAQ,CAAC,CAAC,OAAO,eAAe,CAAC;QACtC,KAAK,WAAW,CAAC,CAAC,OAAO,SAAS,CAAC,KAAK,CAAC,SAAS,EAAE,MAAM,CAAC,CAAC;QAC5D,KAAK,aAAa,CAAC,CAAC,OAAO,SAAS,CAAC,KAAK,CAAC,eAAe,EAAE,MAAM,CAAC,CAAC;QACpE,KAAK,cAAc,CAAC,CAAC,OAAO,mBAAY,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,CAAE,CAAC;QAC9D,KAAK,OAAO,CAAC,CAAC,OAAO,mBAAmB,CAAC;QACzC,KAAK,YAAY,CAAC,CAAC,OAAO,8BAA8B,CAAC;QACzD,KAAK,MAAM,CAAC,CAAC,OAAO,qBAAqB,CAAC;QAC1C,KAAK,MAAM,CAAC,CAAC,OAAO,2BAA2B,CAAC;QAChD,KAAK,KAAK,CAAC,CAAC,OAAO,mCAAmC,CAAC;QACvD,KAAK,MAAM,CAAC,CAAC,OAAO,wBAAwB,CAAC;QAC7C,KAAK,WAAW,CAAC,CAAC,OAAO,4BAA4B,CAAC;QACtD,KAAK,QAAQ,CAAC,CAAC,OAAO,iBAAU,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,CAAE,CAAC;QACtD,KAAK,WAAW,CAAC,CAAC,OAAO,uCAAuC,CAAC;QACjE,KAAK,UAAU,CAAC,CAAC,OAAO,qCAAqC,CAAC;QAC9D,KAAK,MAAM,CAAC,CAAC,OAAO,QAAQ,CAAC;QAC7B,KAAK,UAAU,CAAC,CAAC,OAAO,qBAAqB,CAAC;QAC9C,KAAK,OAAO,CAAC,CAAC,OAAO,wBAAiB,SAAS,CAAC,KAAK,CAAC,MAAM,EAAE,MAAM,GAAG,CAAC,CAAC,CAAE,CAAC;QAC5E,KAAK,QAAQ,CAAC,CAAC,OAAO,0EAAmE,SAAS,CAAC,KAAK,EAAE,MAAM,GAAG,CAAC,CAAC,CAAE,CAAC;QACxH,KAAK,YAAY,CAAC,CAAC,OAAO,iCAAiC,CAAC;QAC5D,KAAK,aAAa,CAAC,CAAC,OAAO,oBAAa,SAAS,CAAC,kCAAE,CAAC,KAAK,CAAC,KAAK,CAAC,OAAO,CAAC,EAAE,MAAM,GAAG,CAAC,CAAC,CAAE,CAAC;QACzF,+BAA+B;QAC/B,KAAK,QAAQ,CAAC,CAAC,OAAO,yFAAyF,CAAC;QAChH;YACI,IAAM,CAAC,GAAU,KAAK,CAAC;YACvB,OAAO,CAAC,IAAI,CAAC,UAAG,CAAC,oCAAiC,CAAC,CAAC;YACpD,OAAO,EAAE,CAAC;KACjB;AACL,CAAC;AAED,SAAS,IAAI,CAAC,OAA+F;IACzG,OAAO,OAAO,CAAC,GAAG,CAAC,UAAA,CAAC,IAAI,OAAA,WAAI,CAAC,CAAC,CAAC,CAAC,MAAG,EAAX,CAAW,CAAC,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC;AACpD,CAAC;AAED,SAAS,OAAO,CAAC,CAAS;IACtB,OAAO,IAAI,KAAK,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC;AAC7C,CAAC;AAED,SAAS,SAAS,CAAC,KAAqB,EAAE,MAAc;IACpD,IAAI,GAAG,GAAG,EAAE,CAAC;IACb,KAAkB,UAAoB,EAApB,KAAA,KAAK,CAAC,MAAM,CAAC,OAAO,EAApB,cAAoB,EAApB,IAAoB,EAAE;QAA5B,IAAA,CAAC,YAAA;QACT,GAAG,IAAI,OAAO,CAAC,MAAM,CAAC,CAAC;QACvB,GAAG,IAAI,YAAK,CAAC,UAAO,CAAC;QACrB,GAAG,IAAI,SAAS,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,MAAM,GAAG,CAAC,CAAC,CAAC;QAC3C,GAAG,IAAI,IAAI,CAAC;KACf;IACD,OAAO,GAAG,CAAC;AACf,CAAC;AAED,SAAS,SAAS,CAAC,MAAiB,EAAE,MAAc;IAChD,IAAI,GAAG,GAAG,EAAE,CAAC;IACb,KAAgB,UAAmB,EAAnB,KAAA,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,EAAnB,cAAmB,EAAnB,IAAmB,EAAE;QAAhC,IAAM,CAAC,SAAA;QACR,IAAM,KAAK,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;QACxB,GAAG,IAAI,OAAO,CAAC,MAAM,CAAC,CAAC;QACvB,GAAG,IAAI,YAAK,CAAC,eAAK,KAAK,CAAC,UAAU,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,GAAG,cAAI,SAAS,CAAC,KAAK,EAAE,MAAM,CAAC,CAAE,CAAC;QAC9E,4BAA4B;QAC5B,yDAAyD;QACzD,IAAI;QACJ,IAAI,KAAK,CAAC,WAAW,EAAE;YACnB,GAAG,IAAI,aAAM,KAAK,CAAC,WAAW,OAAI,CAAC;SACtC;QACD,GAAG,IAAI,IAAI,CAAC;KACf;IACD,OAAO,GAAG,CAAC;AACf,CAAC"}
|
|
@@ -26,7 +26,7 @@ function downloadFromPdb(pdb) {
|
|
|
26
26
|
var parsed;
|
|
27
27
|
return (0, tslib_1.__generator)(this, function (_a) {
|
|
28
28
|
switch (_a.label) {
|
|
29
|
-
case 0: return [4 /*yield*/, (0, helpers_1.downloadCif)("http://www.ebi.ac.uk/pdbe/static/entry/"
|
|
29
|
+
case 0: return [4 /*yield*/, (0, helpers_1.downloadCif)("http://www.ebi.ac.uk/pdbe/static/entry/".concat(pdb, "_updated.cif"), false)];
|
|
30
30
|
case 1:
|
|
31
31
|
parsed = _a.sent();
|
|
32
32
|
return [2 /*return*/, parsed.blocks[0]];
|
|
@@ -55,7 +55,7 @@ function atomLabel(model, aI) {
|
|
|
55
55
|
var label_asym_id = chains.label_asym_id;
|
|
56
56
|
var rI = residueAtomSegments.index[aI];
|
|
57
57
|
var cI = chainAtomSegments.index[aI];
|
|
58
|
-
return label_asym_id.value(cI)
|
|
58
|
+
return "".concat(label_asym_id.value(cI), " ").concat(label_comp_id.value(aI), " ").concat(label_seq_id.value(rI), " ").concat(label_atom_id.value(aI));
|
|
59
59
|
}
|
|
60
60
|
exports.atomLabel = atomLabel;
|
|
61
61
|
function residueLabel(model, rI) {
|
|
@@ -65,7 +65,7 @@ function residueLabel(model, rI) {
|
|
|
65
65
|
var label_asym_id = chains.label_asym_id;
|
|
66
66
|
var aI = residueAtomSegments.offsets[rI];
|
|
67
67
|
var cI = chainAtomSegments.index[aI];
|
|
68
|
-
return label_asym_id.value(cI)
|
|
68
|
+
return "".concat(label_asym_id.value(cI), " ").concat(label_comp_id.value(aI), " ").concat(label_seq_id.value(rI));
|
|
69
69
|
}
|
|
70
70
|
exports.residueLabel = residueLabel;
|
|
71
71
|
function printSecStructure(model) {
|
|
@@ -84,7 +84,7 @@ function printSecStructure(model) {
|
|
|
84
84
|
rI--;
|
|
85
85
|
var e = elements[key[start]];
|
|
86
86
|
if (e.kind !== 'none')
|
|
87
|
-
console.log(e.kind
|
|
87
|
+
console.log("".concat(e.kind, ": ").concat(residueLabel(model, start), " - ").concat(residueLabel(model, rI)));
|
|
88
88
|
rI++;
|
|
89
89
|
}
|
|
90
90
|
}
|
|
@@ -105,7 +105,7 @@ function printBonds(structure, showIntra, showInter) {
|
|
|
105
105
|
var x = a[bI], y = b[bI];
|
|
106
106
|
if (x >= y)
|
|
107
107
|
continue;
|
|
108
|
-
console.log(atomLabel(model, elements[x])
|
|
108
|
+
console.log("".concat(atomLabel(model, elements[x]), " -- ").concat(atomLabel(model, elements[y])));
|
|
109
109
|
}
|
|
110
110
|
}
|
|
111
111
|
}
|
|
@@ -123,12 +123,12 @@ function printBonds(structure, showIntra, showInter) {
|
|
|
123
123
|
var unitA = pairBonds.unitA, unitB = pairBonds.unitB, edgeCount = pairBonds.edgeCount;
|
|
124
124
|
var uA = structure.unitMap.get(unitA);
|
|
125
125
|
var uB = structure.unitMap.get(unitB);
|
|
126
|
-
console.log(unitA
|
|
126
|
+
console.log("".concat(unitA, " - ").concat(unitB, ": ").concat(edgeCount, " bond(s)"));
|
|
127
127
|
for (var _h = 0, _k = pairBonds.connectedIndices; _h < _k.length; _h++) {
|
|
128
128
|
var aI = _k[_h];
|
|
129
129
|
for (var _l = 0, _m = pairBonds.getEdges(aI); _l < _m.length; _l++) {
|
|
130
130
|
var bond = _m[_l];
|
|
131
|
-
console.log(atomLabel(uA.model, uA.elements[aI])
|
|
131
|
+
console.log("".concat(atomLabel(uA.model, uA.elements[aI]), " -- ").concat(atomLabel(uB.model, uB.elements[bond.indexB])));
|
|
132
132
|
}
|
|
133
133
|
}
|
|
134
134
|
}
|
|
@@ -143,8 +143,8 @@ function printSequence(model) {
|
|
|
143
143
|
var key = _b[_a];
|
|
144
144
|
var _c = byEntityKey[+key], sequence = _c.sequence, entityId = _c.entityId;
|
|
145
145
|
var seqId = sequence.seqId, compId = sequence.compId;
|
|
146
|
-
console.log(entityId
|
|
147
|
-
console.log(""
|
|
146
|
+
console.log("".concat(entityId, " (").concat(sequence.kind, " ").concat(seqId.value(0), ", ").concat(seqId.value(seqId.rowCount - 1), ") (").concat(compId.value(0), ", ").concat(compId.value(compId.rowCount - 1), ")"));
|
|
147
|
+
console.log("".concat(sequence_1.Sequence.getSequenceString(sequence)));
|
|
148
148
|
}
|
|
149
149
|
console.log();
|
|
150
150
|
}
|
|
@@ -162,7 +162,7 @@ function printRings(structure) {
|
|
|
162
162
|
}
|
|
163
163
|
if (all.length > 5)
|
|
164
164
|
fps.push('...');
|
|
165
|
-
console.log("Unit "
|
|
165
|
+
console.log("Unit ".concat(unit.id, ", ").concat(all.length, " ring(s), ").concat(byFingerprint.size, " different fingerprint(s).\n ").concat(fps.join(', ')));
|
|
166
166
|
}
|
|
167
167
|
console.log();
|
|
168
168
|
}
|
|
@@ -176,10 +176,10 @@ function printUnits(structure) {
|
|
|
176
176
|
var elements = unit.elements;
|
|
177
177
|
var size = int_1.OrderedSet.size(elements);
|
|
178
178
|
if (structure_1.Unit.isAtomic(l.unit)) {
|
|
179
|
-
console.log("Atomic unit "
|
|
179
|
+
console.log("Atomic unit ".concat(unit.id, " ").concat(unit.conformation.operator.name, ": ").concat(size, " elements"));
|
|
180
180
|
}
|
|
181
181
|
else if (structure_1.Unit.isCoarse(l.unit)) {
|
|
182
|
-
console.log("Coarse unit "
|
|
182
|
+
console.log("Coarse unit ".concat(unit.id, " ").concat(unit.conformation.operator.name, " (").concat(structure_1.Unit.isSpheres(l.unit) ? 'spheres' : 'gaussians', "): ").concat(size, " elements."));
|
|
183
183
|
var props = structure_1.StructureProperties.coarse;
|
|
184
184
|
var modelSeq = l.unit.model.sequence;
|
|
185
185
|
for (var j = 0, _j = Math.min(size, 3); j < _j; j++) {
|
|
@@ -189,7 +189,7 @@ function printUnits(structure) {
|
|
|
189
189
|
var compId = modelSeq.byEntityKey[props.entityKey(l)].sequence.compId.value;
|
|
190
190
|
for (var e = start; e <= end; e++)
|
|
191
191
|
residues.push(compId(e));
|
|
192
|
-
console.log(props.asym_id(l)
|
|
192
|
+
console.log("".concat(props.asym_id(l), ":").concat(start, "-").concat(end, " (").concat(residues.join('-'), ") ").concat(props.asym_id(l), " [").concat(props.x(l).toFixed(2), ", ").concat(props.y(l).toFixed(2), ", ").concat(props.z(l).toFixed(2), "]"));
|
|
193
193
|
}
|
|
194
194
|
if (size > 3)
|
|
195
195
|
console.log("...");
|
|
@@ -203,10 +203,10 @@ function printSymmetryInfo(model) {
|
|
|
203
203
|
if (!symmetry)
|
|
204
204
|
return;
|
|
205
205
|
var _a = symmetry.spacegroup.cell, size = _a.size, anglesInRadians = _a.anglesInRadians;
|
|
206
|
-
console.log("Spacegroup: "
|
|
207
|
-
console.log("Assembly names: "
|
|
206
|
+
console.log("Spacegroup: ".concat(symmetry.spacegroup.name, " size: ").concat(linear_algebra_1.Vec3.toString(size), " angles: ").concat(linear_algebra_1.Vec3.toString(anglesInRadians)));
|
|
207
|
+
console.log("Assembly names: ".concat(symmetry.assemblies.map(function (a) { return a.id; }).join(', ')));
|
|
208
208
|
// NCS example: 1auy
|
|
209
|
-
console.log("NCS operators: "
|
|
209
|
+
console.log("NCS operators: ".concat(symmetry.ncsOperators && symmetry.ncsOperators.map(function (a) { return a.name; }).join(', ')));
|
|
210
210
|
}
|
|
211
211
|
exports.printSymmetryInfo = printSymmetryInfo;
|
|
212
212
|
function printModelStats(models) {
|
|
@@ -224,10 +224,10 @@ function printModelStats(models) {
|
|
|
224
224
|
case 2:
|
|
225
225
|
m = _a.sent();
|
|
226
226
|
if (m.coarseHierarchy.isDefined) {
|
|
227
|
-
console.log(m.label
|
|
227
|
+
console.log("".concat(m.label, " ").concat(m.modelNum, ": ").concat(m.atomicHierarchy.atoms._rowCount, " atom(s), ").concat(m.coarseHierarchy.spheres.count, " sphere(s), ").concat(m.coarseHierarchy.gaussians.count, " gaussian(s)"));
|
|
228
228
|
}
|
|
229
229
|
else {
|
|
230
|
-
console.log(m.label
|
|
230
|
+
console.log("".concat(m.label, " ").concat(m.modelNum, ": ").concat(m.atomicHierarchy.atoms._rowCount, " atom(s)"));
|
|
231
231
|
}
|
|
232
232
|
_a.label = 3;
|
|
233
233
|
case 3:
|