molstar 3.4.0 → 3.6.1
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 +202 -197
- package/build/viewer/embedded.html +43 -43
- package/build/viewer/index.html +106 -106
- package/build/viewer/molstar.js +1 -1
- package/build/viewer/molstar.js.LICENSE.txt +12 -14
- package/lib/apps/docking-viewer/index.html +36 -36
- package/lib/apps/docking-viewer/index.js +1 -1
- package/lib/apps/viewer/app.js +1 -1
- package/lib/apps/viewer/embedded.html +43 -43
- package/lib/apps/viewer/index.html +106 -106
- package/lib/cli/chem-comp-dict/util.d.ts +20 -20
- package/lib/cli/cif2bcif/converter.js +1 -1
- package/lib/cli/cif2bcif/index.js +4 -4
- package/lib/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/cli/cifschema/util/cif-dic.js +7 -5
- package/lib/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/cli/cifschema/util/generate.js +12 -3
- package/lib/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/apps/docking-viewer/index.js +2 -2
- package/lib/commonjs/apps/viewer/app.js +2 -2
- package/lib/commonjs/cli/chem-comp-dict/util.d.ts +20 -20
- package/lib/commonjs/cli/cif2bcif/converter.js +1 -1
- package/lib/commonjs/cli/cif2bcif/index.js +4 -4
- package/lib/commonjs/cli/cifschema/util/cif-dic.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/cif-dic.js +7 -5
- package/lib/commonjs/cli/cifschema/util/generate.d.ts +1 -1
- package/lib/commonjs/cli/cifschema/util/generate.js +12 -3
- package/lib/commonjs/cli/cifschema/util/schema.d.ts +3 -3
- package/lib/commonjs/cli/cifschema/util/schema.js +1 -1
- package/lib/commonjs/examples/alpha-orbitals/index.js +2 -2
- package/lib/commonjs/examples/basic-wrapper/index.js +2 -2
- package/lib/commonjs/examples/lighting/index.js +2 -2
- package/lib/commonjs/examples/proteopedia-wrapper/index.js +2 -2
- package/lib/commonjs/extensions/anvil/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/anvil/representation.d.ts +4 -0
- package/lib/commonjs/extensions/cellpack/representation.d.ts +1 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/commonjs/extensions/dnatco/confal-pyramids/color.js +223 -131
- package/lib/commonjs/extensions/dnatco/confal-pyramids/property.js +1 -3
- package/lib/commonjs/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/commonjs/extensions/dnatco/confal-pyramids/util.js +18 -19
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
- package/lib/commonjs/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/commonjs/mol-canvas3d/canvas3d.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/commonjs/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/commonjs/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/commonjs/mol-data/db/column.d.ts +10 -3
- package/lib/commonjs/mol-data/db/column.js +39 -17
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
- package/lib/commonjs/mol-geo/geometry/cylinders/cylinders.js +2 -2
- package/lib/commonjs/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/commonjs/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/spheres/spheres.js +2 -2
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
- package/lib/commonjs/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/commonjs/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/commonjs/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/image.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/lines.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/points.frag.js +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.d.ts +2 -2
- package/lib/commonjs/mol-gl/shader/text.frag.js +2 -2
- package/lib/commonjs/mol-gl/webgl/buffer.d.ts +2 -2
- package/lib/commonjs/mol-gl/webgl/buffer.js +12 -12
- package/lib/commonjs/mol-gl/webgl/context.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/context.js +2 -2
- package/lib/commonjs/mol-gl/webgl/program.d.ts +1 -1
- package/lib/commonjs/mol-gl/webgl/program.js +10 -4
- package/lib/commonjs/mol-io/reader/cif/schema/bird.d.ts +8 -8
- package/lib/commonjs/mol-io/reader/cif/schema/bird.js +12 -11
- package/lib/commonjs/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.d.ts +12 -12
- package/lib/commonjs/mol-io/reader/cif/schema/ccd.js +13 -12
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
- package/lib/commonjs/mol-io/reader/cif/schema/mmcif.js +44 -39
- package/lib/commonjs/mol-io/reader/cif/schema.d.ts +1 -1
- package/lib/commonjs/mol-io/reader/cif/schema.js +22 -2
- package/lib/commonjs/mol-io/writer/mol/encoder.js +1 -1
- package/lib/commonjs/mol-math/geometry/common.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/common.js +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/cpu.js +2 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/commonjs/mol-math/geometry/gaussian-density/gpu.js +7 -7
- package/lib/commonjs/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/commonjs/mol-math/geometry/gaussian-density.js +1 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/commonjs/mol-math/geometry/molecular-surface.js +2 -2
- package/lib/commonjs/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/commonjs/mol-math/geometry/primitives/sphere3d.js +12 -6
- package/lib/commonjs/mol-model/structure/model/model.js +14 -6
- package/lib/commonjs/mol-model/structure/model/properties/common.js +1 -1
- package/lib/commonjs/mol-model/structure/model/types.d.ts +19 -17
- package/lib/commonjs/mol-model/structure/model/types.js +30 -31
- package/lib/commonjs/mol-model/structure/query/queries/generators.js +1 -1
- package/lib/commonjs/mol-model/structure/structure/properties.d.ts +1 -1
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
- package/lib/commonjs/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
- package/lib/commonjs/mol-model/structure/structure/unit/rings.js +3 -0
- package/lib/commonjs/mol-model-formats/shape/ply.d.ts +2 -0
- package/lib/commonjs/mol-model-formats/structure/basic/entities.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/common/component.d.ts +3 -3
- package/lib/commonjs/mol-model-formats/structure/common/component.js +46 -46
- package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.d.ts +2 -2
- package/lib/commonjs/mol-model-formats/structure/pdb/atom-site.js +72 -7
- package/lib/commonjs/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
- package/lib/commonjs/mol-model-formats/structure/pdb/to-cif.js +7 -2
- package/lib/commonjs/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
- package/lib/commonjs/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
- package/lib/commonjs/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/commonjs/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/commonjs/mol-plugin/behavior/dynamic/volume-streaming/util.js +4 -2
- package/lib/commonjs/mol-plugin/commands.d.ts +1 -0
- package/lib/commonjs/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- package/lib/commonjs/mol-plugin-state/actions/structure.d.ts +6 -6
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/commonjs/mol-plugin-state/helpers/structure-selection-query.js +1 -1
- package/lib/commonjs/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/commonjs/mol-plugin-ui/react18.d.ts +11 -0
- package/lib/commonjs/mol-plugin-ui/react18.js +38 -0
- package/lib/commonjs/mol-plugin-ui/state/common.js +6 -7
- package/lib/commonjs/mol-plugin-ui/structure/focus.d.ts +1 -1
- package/lib/commonjs/mol-plugin-ui/structure/focus.js +2 -2
- package/lib/commonjs/mol-plugin-ui/task.d.ts +2 -21
- package/lib/commonjs/mol-plugin-ui/task.js +39 -43
- package/lib/commonjs/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/commonjs/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/complex-visual.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/params.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/registry.d.ts +10 -0
- package/lib/commonjs/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/commonjs/mol-repr/structure/units-visual.d.ts +4 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/element-sphere.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.js +9 -9
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-mesh.js +3 -3
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/commonjs/mol-repr/structure/visual/molecular-surface-wireframe.js +4 -4
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/commonjs/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/commonjs/mol-repr/structure/visual/util/common.js +2 -27
- package/lib/commonjs/mol-repr/util.d.ts +2 -1
- package/lib/commonjs/mol-repr/util.js +2 -2
- package/lib/commonjs/mol-repr/volume/isosurface.d.ts +5 -0
- package/lib/commonjs/mol-repr/volume/registry.d.ts +1 -0
- package/lib/commonjs/mol-script/language/builder.d.ts +1 -0
- package/lib/examples/alpha-orbitals/index.html +61 -61
- package/lib/examples/alpha-orbitals/index.js +1 -1
- package/lib/examples/basic-wrapper/index.html +137 -137
- package/lib/examples/basic-wrapper/index.js +1 -1
- package/lib/examples/lighting/index.html +88 -88
- package/lib/examples/lighting/index.js +1 -1
- package/lib/examples/proteopedia-wrapper/index.html +236 -236
- package/lib/examples/proteopedia-wrapper/index.js +1 -1
- package/lib/extensions/anvil/behavior.d.ts +1 -0
- package/lib/extensions/anvil/representation.d.ts +4 -0
- package/lib/extensions/cellpack/representation.d.ts +1 -0
- package/lib/extensions/dnatco/confal-pyramids/color.d.ts +397 -2
- package/lib/extensions/dnatco/confal-pyramids/color.js +224 -132
- package/lib/extensions/dnatco/confal-pyramids/property.js +1 -3
- package/lib/extensions/dnatco/confal-pyramids/representation.d.ts +3 -0
- package/lib/extensions/dnatco/confal-pyramids/util.js +19 -20
- package/lib/extensions/rcsb/assembly-symmetry/behavior.d.ts +1 -0
- package/lib/extensions/rcsb/assembly-symmetry/representation.d.ts +1 -0
- package/lib/extensions/rcsb/validation-report/representation.d.ts +5 -0
- package/lib/mol-canvas3d/canvas3d.d.ts +2 -0
- package/lib/mol-canvas3d/helper/camera-helper.d.ts +1 -0
- package/lib/mol-canvas3d/helper/handle-helper.d.ts +1 -0
- package/lib/mol-canvas3d/helper/helper.d.ts +2 -0
- package/lib/mol-canvas3d/passes/image.d.ts +1 -0
- package/lib/mol-data/db/column.d.ts +10 -3
- package/lib/mol-data/db/column.js +39 -18
- package/lib/mol-geo/geometry/cylinders/cylinders.d.ts +4 -2
- package/lib/mol-geo/geometry/cylinders/cylinders.js +2 -2
- package/lib/mol-geo/geometry/lines/lines.d.ts +0 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/mesh/color-smoothing.js +5 -3
- package/lib/mol-geo/geometry/mesh/mesh.d.ts +2 -1
- package/lib/mol-geo/geometry/mesh/mesh.js +2 -2
- package/lib/mol-geo/geometry/points/points.d.ts +1 -1
- package/lib/mol-geo/geometry/spheres/spheres.d.ts +2 -1
- package/lib/mol-geo/geometry/spheres/spheres.js +2 -2
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.d.ts +1 -1
- package/lib/mol-geo/geometry/texture-mesh/color-smoothing.js +6 -4
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.d.ts +2 -1
- package/lib/mol-geo/geometry/texture-mesh/texture-mesh.js +2 -2
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.d.ts +2 -2
- package/lib/mol-gl/shader/chunks/wboit-write.glsl.js +2 -2
- package/lib/mol-gl/shader/direct-volume.frag.d.ts +1 -1
- package/lib/mol-gl/shader/direct-volume.frag.js +1 -1
- package/lib/mol-gl/shader/image.frag.d.ts +2 -2
- package/lib/mol-gl/shader/image.frag.js +2 -2
- package/lib/mol-gl/shader/lines.frag.d.ts +2 -2
- package/lib/mol-gl/shader/lines.frag.js +2 -2
- package/lib/mol-gl/shader/points.frag.d.ts +2 -2
- package/lib/mol-gl/shader/points.frag.js +2 -2
- package/lib/mol-gl/shader/text.frag.d.ts +2 -2
- package/lib/mol-gl/shader/text.frag.js +2 -2
- package/lib/mol-gl/webgl/buffer.d.ts +2 -2
- package/lib/mol-gl/webgl/buffer.js +12 -12
- package/lib/mol-gl/webgl/context.d.ts +1 -1
- package/lib/mol-gl/webgl/context.js +2 -2
- package/lib/mol-gl/webgl/program.d.ts +1 -1
- package/lib/mol-gl/webgl/program.js +10 -4
- package/lib/mol-io/reader/cif/schema/bird.d.ts +8 -8
- package/lib/mol-io/reader/cif/schema/bird.js +12 -11
- package/lib/mol-io/reader/cif/schema/ccd-extras.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema/ccd.d.ts +12 -12
- package/lib/mol-io/reader/cif/schema/ccd.js +13 -12
- package/lib/mol-io/reader/cif/schema/mmcif-extras.d.ts +5 -5
- package/lib/mol-io/reader/cif/schema/mmcif-extras.js +2 -2
- package/lib/mol-io/reader/cif/schema/mmcif.d.ts +30 -26
- package/lib/mol-io/reader/cif/schema/mmcif.js +44 -39
- package/lib/mol-io/reader/cif/schema.d.ts +1 -1
- package/lib/mol-io/reader/cif/schema.js +22 -2
- package/lib/mol-io/writer/mol/encoder.js +1 -1
- package/lib/mol-math/geometry/common.d.ts +2 -1
- package/lib/mol-math/geometry/common.js +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/cpu.js +2 -2
- package/lib/mol-math/geometry/gaussian-density/gpu.d.ts +1 -1
- package/lib/mol-math/geometry/gaussian-density/gpu.js +7 -7
- package/lib/mol-math/geometry/gaussian-density.d.ts +2 -2
- package/lib/mol-math/geometry/gaussian-density.js +1 -1
- package/lib/mol-math/geometry/molecular-surface.d.ts +2 -1
- package/lib/mol-math/geometry/molecular-surface.js +2 -2
- package/lib/mol-math/geometry/primitives/box3d.js +2 -1
- package/lib/mol-math/geometry/primitives/sphere3d.js +12 -6
- package/lib/mol-model/structure/model/model.js +14 -6
- package/lib/mol-model/structure/model/properties/common.js +1 -1
- package/lib/mol-model/structure/model/types.d.ts +19 -17
- package/lib/mol-model/structure/model/types.js +30 -31
- package/lib/mol-model/structure/query/queries/generators.js +1 -1
- package/lib/mol-model/structure/structure/properties.d.ts +1 -1
- package/lib/mol-model/structure/structure/unit/bonds/inter-compute.js +2 -4
- package/lib/mol-model/structure/structure/unit/bonds/intra-compute.js +1 -3
- package/lib/mol-model/structure/structure/unit/rings.js +3 -0
- package/lib/mol-model-formats/shape/ply.d.ts +2 -0
- package/lib/mol-model-formats/structure/basic/entities.js +1 -1
- package/lib/mol-model-formats/structure/basic/schema.d.ts +2 -2
- package/lib/mol-model-formats/structure/common/component.d.ts +3 -3
- package/lib/mol-model-formats/structure/common/component.js +46 -46
- package/lib/mol-model-formats/structure/pdb/atom-site.d.ts +2 -2
- package/lib/mol-model-formats/structure/pdb/atom-site.js +72 -7
- package/lib/mol-model-formats/structure/pdb/secondary-structure.js +11 -11
- package/lib/mol-model-formats/structure/pdb/to-cif.js +7 -2
- package/lib/mol-model-formats/structure/property/bonds/chem_comp.js +1 -1
- package/lib/mol-model-formats/structure/property/bonds/struct_conn.js +1 -1
- package/lib/mol-model-props/computed/representations/interactions-inter-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions-intra-unit-cylinder.d.ts +1 -0
- package/lib/mol-model-props/computed/representations/interactions.d.ts +3 -0
- package/lib/mol-model-props/integrative/cross-link-restraint/representation.d.ts +4 -0
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/model.d.ts +2 -3
- package/lib/mol-plugin/behavior/dynamic/volume-streaming/util.js +4 -2
- package/lib/mol-plugin/commands.d.ts +1 -0
- package/lib/mol-plugin/util/viewport-screenshot.d.ts +3 -0
- package/lib/mol-plugin/version.js +2 -2
- package/lib/mol-plugin-state/actions/structure.d.ts +6 -6
- package/lib/mol-plugin-state/helpers/structure-selection-query.d.ts +1 -1
- package/lib/mol-plugin-state/helpers/structure-selection-query.js +1 -1
- package/lib/mol-plugin-state/transforms/representation.d.ts +6 -0
- package/lib/mol-plugin-ui/react18.d.ts +11 -0
- package/lib/mol-plugin-ui/react18.js +34 -0
- package/lib/mol-plugin-ui/skin/base/base.scss +32 -32
- package/lib/mol-plugin-ui/skin/base/components/controls-base.scss +333 -333
- package/lib/mol-plugin-ui/skin/base/components/controls.scss +418 -418
- package/lib/mol-plugin-ui/skin/base/components/help.scss +27 -27
- package/lib/mol-plugin-ui/skin/base/components/line-graph.scss +67 -67
- package/lib/mol-plugin-ui/skin/base/components/log.scss +100 -100
- package/lib/mol-plugin-ui/skin/base/components/misc.scss +643 -643
- package/lib/mol-plugin-ui/skin/base/components/sequence.scss +125 -125
- package/lib/mol-plugin-ui/skin/base/components/slider.scss +165 -165
- package/lib/mol-plugin-ui/skin/base/components/tasks.scss +99 -99
- package/lib/mol-plugin-ui/skin/base/components/toast.scss +83 -83
- package/lib/mol-plugin-ui/skin/base/components/transformer.scss +163 -163
- package/lib/mol-plugin-ui/skin/base/components/viewport.scss +128 -128
- package/lib/mol-plugin-ui/skin/base/layout/common.scss +71 -71
- package/lib/mol-plugin-ui/skin/base/layout/controls-landscape.scss +89 -89
- package/lib/mol-plugin-ui/skin/base/layout/controls-outside.scss +98 -98
- package/lib/mol-plugin-ui/skin/base/layout/controls-portrait.scss +108 -108
- package/lib/mol-plugin-ui/skin/base/layout.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/logo.scss +12 -12
- package/lib/mol-plugin-ui/skin/base/normalize.scss +209 -209
- package/lib/mol-plugin-ui/skin/base/ui.scss +40 -40
- package/lib/mol-plugin-ui/skin/base/variables.scss +85 -85
- package/lib/mol-plugin-ui/skin/blue.scss +1 -1
- package/lib/mol-plugin-ui/skin/colors/blue.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/dark.scss +23 -23
- package/lib/mol-plugin-ui/skin/colors/light.scss +29 -29
- package/lib/mol-plugin-ui/skin/dark.scss +1 -1
- package/lib/mol-plugin-ui/skin/light.scss +1 -1
- package/lib/mol-plugin-ui/state/common.js +7 -8
- package/lib/mol-plugin-ui/structure/focus.d.ts +1 -1
- package/lib/mol-plugin-ui/structure/focus.js +2 -2
- package/lib/mol-plugin-ui/task.d.ts +2 -21
- package/lib/mol-plugin-ui/task.js +40 -46
- package/lib/mol-repr/shape/loci/angle.d.ts +1 -0
- package/lib/mol-repr/shape/loci/dihedral.d.ts +1 -0
- package/lib/mol-repr/shape/loci/orientation.d.ts +1 -0
- package/lib/mol-repr/shape/loci/plane.d.ts +1 -0
- package/lib/mol-repr/shape/model/unitcell.d.ts +1 -0
- package/lib/mol-repr/structure/complex-visual.d.ts +3 -0
- package/lib/mol-repr/structure/params.d.ts +4 -0
- package/lib/mol-repr/structure/registry.d.ts +10 -0
- package/lib/mol-repr/structure/representation/backbone.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ball-and-stick.d.ts +3 -0
- package/lib/mol-repr/structure/representation/carbohydrate.d.ts +3 -0
- package/lib/mol-repr/structure/representation/cartoon.d.ts +3 -0
- package/lib/mol-repr/structure/representation/ellipsoid.d.ts +3 -0
- package/lib/mol-repr/structure/representation/gaussian-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/molecular-surface.d.ts +3 -0
- package/lib/mol-repr/structure/representation/orientation.d.ts +3 -0
- package/lib/mol-repr/structure/representation/putty.d.ts +3 -0
- package/lib/mol-repr/structure/representation/spacefill.d.ts +3 -0
- package/lib/mol-repr/structure/units-visual.d.ts +4 -0
- package/lib/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/carbohydrate-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-symbol-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/element-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/gaussian-density-volume.js +2 -3
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.d.ts +5 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-mesh.js +10 -10
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/gaussian-surface-wireframe.js +4 -5
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/molecular-surface-mesh.js +4 -4
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.d.ts +1 -1
- package/lib/mol-repr/structure/visual/molecular-surface-wireframe.js +5 -5
- package/lib/mol-repr/structure/visual/nucleotide-block-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/nucleotide-ring-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/orientation-ellipsoid-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-cylinder.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-backbone-sphere.d.ts +2 -0
- package/lib/mol-repr/structure/visual/polymer-direction-wedge.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-gap-cylinder.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-trace-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/polymer-tube-mesh.d.ts +1 -0
- package/lib/mol-repr/structure/visual/util/common.d.ts +1 -3
- package/lib/mol-repr/structure/visual/util/common.js +1 -24
- package/lib/mol-repr/util.d.ts +2 -1
- package/lib/mol-repr/util.js +2 -2
- package/lib/mol-repr/volume/isosurface.d.ts +5 -0
- package/lib/mol-repr/volume/registry.d.ts +1 -0
- package/lib/mol-script/language/builder.d.ts +1 -0
- package/package.json +162 -160
|
@@ -19,6 +19,7 @@ export declare const ElementSphereParams: {
|
|
|
19
19
|
doubleSided: PD.BooleanParam;
|
|
20
20
|
ignoreLight: PD.BooleanParam;
|
|
21
21
|
xrayShaded: PD.BooleanParam;
|
|
22
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
22
23
|
bumpFrequency: PD.Numeric;
|
|
23
24
|
bumpAmplitude: PD.Numeric;
|
|
24
25
|
alpha: PD.Numeric;
|
|
@@ -53,6 +54,7 @@ export declare function ElementSphereVisual(materialId: number, structure: Struc
|
|
|
53
54
|
doubleSided: PD.BooleanParam;
|
|
54
55
|
ignoreLight: PD.BooleanParam;
|
|
55
56
|
xrayShaded: PD.BooleanParam;
|
|
57
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
56
58
|
bumpFrequency: PD.Numeric;
|
|
57
59
|
bumpAmplitude: PD.Numeric;
|
|
58
60
|
alpha: PD.Numeric;
|
|
@@ -20,6 +20,7 @@ export declare const EllipsoidMeshParams: {
|
|
|
20
20
|
flatShaded: PD.BooleanParam;
|
|
21
21
|
ignoreLight: PD.BooleanParam;
|
|
22
22
|
xrayShaded: PD.BooleanParam;
|
|
23
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
23
24
|
bumpFrequency: PD.Numeric;
|
|
24
25
|
bumpAmplitude: PD.Numeric;
|
|
25
26
|
alpha: PD.Numeric;
|
|
@@ -15,7 +15,6 @@ var linear_algebra_1 = require("../../../mol-math/linear-algebra");
|
|
|
15
15
|
var element_1 = require("./util/element");
|
|
16
16
|
var geometry_1 = require("../../../mol-math/geometry");
|
|
17
17
|
var units_visual_1 = require("../units-visual");
|
|
18
|
-
var common_1 = require("./util/common");
|
|
19
18
|
function createGaussianDensityVolume(ctx, structure, theme, props, directVolume) {
|
|
20
19
|
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
21
20
|
var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
|
|
@@ -36,7 +35,7 @@ function createGaussianDensityVolume(ctx, structure, theme, props, directVolume)
|
|
|
36
35
|
cellDim = linear_algebra_1.Mat4.getScaling((0, linear_algebra_1.Vec3)(), transform);
|
|
37
36
|
axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
|
|
38
37
|
vol = direct_volume_1.DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
|
|
39
|
-
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere,
|
|
38
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, densityTextureData.maxRadius);
|
|
40
39
|
vol.setBoundingSphere(sphere);
|
|
41
40
|
return [2 /*return*/, vol];
|
|
42
41
|
}
|
|
@@ -95,7 +94,7 @@ function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, di
|
|
|
95
94
|
cellDim = linear_algebra_1.Mat4.getScaling((0, linear_algebra_1.Vec3)(), transform);
|
|
96
95
|
axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
|
|
97
96
|
vol = direct_volume_1.DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
|
|
98
|
-
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere,
|
|
97
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, densityTextureData.maxRadius);
|
|
99
98
|
vol.setBoundingSphere(sphere);
|
|
100
99
|
return [2 /*return*/, vol];
|
|
101
100
|
}
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
@@ -26,6 +26,7 @@ export declare const GaussianSurfaceMeshParams: {
|
|
|
26
26
|
flatShaded: PD.BooleanParam;
|
|
27
27
|
ignoreLight: PD.BooleanParam;
|
|
28
28
|
xrayShaded: PD.BooleanParam;
|
|
29
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
29
30
|
bumpFrequency: PD.Numeric;
|
|
30
31
|
bumpAmplitude: PD.Numeric;
|
|
31
32
|
alpha: PD.Numeric;
|
|
@@ -65,6 +66,7 @@ export declare const StructureGaussianSurfaceMeshParams: {
|
|
|
65
66
|
flatShaded: PD.BooleanParam;
|
|
66
67
|
ignoreLight: PD.BooleanParam;
|
|
67
68
|
xrayShaded: PD.BooleanParam;
|
|
69
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
68
70
|
bumpFrequency: PD.Numeric;
|
|
69
71
|
bumpAmplitude: PD.Numeric;
|
|
70
72
|
alpha: PD.Numeric;
|
|
@@ -104,6 +106,7 @@ export declare function GaussianSurfaceVisual(materialId: number, structure: Str
|
|
|
104
106
|
flatShaded: PD.BooleanParam;
|
|
105
107
|
ignoreLight: PD.BooleanParam;
|
|
106
108
|
xrayShaded: PD.BooleanParam;
|
|
109
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
107
110
|
bumpFrequency: PD.Numeric;
|
|
108
111
|
bumpAmplitude: PD.Numeric;
|
|
109
112
|
alpha: PD.Numeric;
|
|
@@ -142,6 +145,7 @@ export declare function StructureGaussianSurfaceVisual(materialId: number, struc
|
|
|
142
145
|
flatShaded: PD.BooleanParam;
|
|
143
146
|
ignoreLight: PD.BooleanParam;
|
|
144
147
|
xrayShaded: PD.BooleanParam;
|
|
148
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
145
149
|
bumpFrequency: PD.Numeric;
|
|
146
150
|
bumpAmplitude: PD.Numeric;
|
|
147
151
|
alpha: PD.Numeric;
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -56,14 +56,14 @@ exports.StructureGaussianSurfaceVisual = StructureGaussianSurfaceVisual;
|
|
|
56
56
|
//
|
|
57
57
|
function createGaussianSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
|
|
58
58
|
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
59
|
-
var smoothness, _a, transform, field, idField, radiusFactor, resolution, params, surface, sphere;
|
|
59
|
+
var smoothness, _a, transform, field, idField, radiusFactor, resolution, maxRadius, params, surface, sphere;
|
|
60
60
|
return tslib_1.__generator(this, function (_b) {
|
|
61
61
|
switch (_b.label) {
|
|
62
62
|
case 0:
|
|
63
63
|
smoothness = props.smoothness;
|
|
64
64
|
return [4 /*yield*/, (0, gaussian_1.computeUnitGaussianDensity)(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
65
65
|
case 1:
|
|
66
|
-
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution;
|
|
66
|
+
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution, maxRadius = _a.maxRadius;
|
|
67
67
|
params = {
|
|
68
68
|
isoLevel: Math.exp(-smoothness) / radiusFactor,
|
|
69
69
|
scalarField: field,
|
|
@@ -76,7 +76,7 @@ function createGaussianSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
|
|
|
76
76
|
mesh_1.Mesh.transform(surface, transform);
|
|
77
77
|
if (ctx.webgl && !ctx.webgl.isWebGL2)
|
|
78
78
|
mesh_1.Mesh.uniformTriangleGroup(surface);
|
|
79
|
-
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere,
|
|
79
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, maxRadius);
|
|
80
80
|
surface.setBoundingSphere(sphere);
|
|
81
81
|
return [2 /*return*/, surface];
|
|
82
82
|
}
|
|
@@ -134,14 +134,14 @@ exports.GaussianSurfaceMeshVisual = GaussianSurfaceMeshVisual;
|
|
|
134
134
|
//
|
|
135
135
|
function createStructureGaussianSurfaceMesh(ctx, structure, theme, props, mesh) {
|
|
136
136
|
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
137
|
-
var smoothness, _a, transform, field, idField, radiusFactor, resolution, params, surface, sphere;
|
|
137
|
+
var smoothness, _a, transform, field, idField, radiusFactor, resolution, maxRadius, params, surface, sphere;
|
|
138
138
|
return tslib_1.__generator(this, function (_b) {
|
|
139
139
|
switch (_b.label) {
|
|
140
140
|
case 0:
|
|
141
141
|
smoothness = props.smoothness;
|
|
142
142
|
return [4 /*yield*/, (0, gaussian_1.computeStructureGaussianDensity)(structure, theme.size, props).runInContext(ctx.runtime)];
|
|
143
143
|
case 1:
|
|
144
|
-
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution;
|
|
144
|
+
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, radiusFactor = _a.radiusFactor, resolution = _a.resolution, maxRadius = _a.maxRadius;
|
|
145
145
|
params = {
|
|
146
146
|
isoLevel: Math.exp(-smoothness) / radiusFactor,
|
|
147
147
|
scalarField: field,
|
|
@@ -154,7 +154,7 @@ function createStructureGaussianSurfaceMesh(ctx, structure, theme, props, mesh)
|
|
|
154
154
|
mesh_1.Mesh.transform(surface, transform);
|
|
155
155
|
if (ctx.webgl && !ctx.webgl.isWebGL2)
|
|
156
156
|
mesh_1.Mesh.uniformTriangleGroup(surface);
|
|
157
|
-
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere,
|
|
157
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, maxRadius);
|
|
158
158
|
surface.setBoundingSphere(sphere);
|
|
159
159
|
return [2 /*return*/, surface];
|
|
160
160
|
}
|
|
@@ -232,7 +232,7 @@ function createGaussianSurfaceTextureMesh(ctx, unit, structure, theme, props, te
|
|
|
232
232
|
axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
|
|
233
233
|
buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
|
|
234
234
|
gv = (0, isosurface_1.extractIsosurface)(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
|
|
235
|
-
boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere,
|
|
235
|
+
boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, densityTextureData.maxRadius);
|
|
236
236
|
surface = texture_mesh_1.TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
|
|
237
237
|
surface.meta.resolution = densityTextureData.resolution;
|
|
238
238
|
return [2 /*return*/, surface];
|
|
@@ -316,7 +316,7 @@ function createStructureGaussianSurfaceTextureMesh(ctx, structure, theme, props,
|
|
|
316
316
|
axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
|
|
317
317
|
buffer = textureMesh === null || textureMesh === void 0 ? void 0 : textureMesh.doubleBuffer.get();
|
|
318
318
|
gv = (0, isosurface_1.extractIsosurface)(ctx.webgl, densityTextureData.texture, densityTextureData.gridDim, densityTextureData.gridTexDim, densityTextureData.gridTexScale, densityTextureData.transform, isoLevel, false, true, axisOrder, buffer === null || buffer === void 0 ? void 0 : buffer.vertex, buffer === null || buffer === void 0 ? void 0 : buffer.group, buffer === null || buffer === void 0 ? void 0 : buffer.normal);
|
|
319
|
-
boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere,
|
|
319
|
+
boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, densityTextureData.maxRadius);
|
|
320
320
|
surface = texture_mesh_1.TextureMesh.create(gv.vertexCount, 1, gv.vertexTexture, gv.groupTexture, gv.normalTexture, boundingSphere, textureMesh);
|
|
321
321
|
surface.meta.resolution = densityTextureData.resolution;
|
|
322
322
|
return [2 /*return*/, surface];
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -14,17 +14,16 @@ var algorithm_1 = require("../../../mol-geo/util/marching-cubes/algorithm");
|
|
|
14
14
|
var units_visual_1 = require("../units-visual");
|
|
15
15
|
var element_1 = require("./util/element");
|
|
16
16
|
var geometry_1 = require("../../../mol-math/geometry");
|
|
17
|
-
var common_1 = require("./util/common");
|
|
18
17
|
function createGaussianWireframe(ctx, unit, structure, theme, props, lines) {
|
|
19
18
|
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
20
|
-
var smoothness, _a, transform, field, idField, params, wireframe, sphere;
|
|
19
|
+
var smoothness, _a, transform, field, idField, maxRadius, params, wireframe, sphere;
|
|
21
20
|
return tslib_1.__generator(this, function (_b) {
|
|
22
21
|
switch (_b.label) {
|
|
23
22
|
case 0:
|
|
24
23
|
smoothness = props.smoothness;
|
|
25
24
|
return [4 /*yield*/, (0, gaussian_1.computeUnitGaussianDensity)(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
26
25
|
case 1:
|
|
27
|
-
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField;
|
|
26
|
+
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, maxRadius = _a.maxRadius;
|
|
28
27
|
params = {
|
|
29
28
|
isoLevel: Math.exp(-smoothness),
|
|
30
29
|
scalarField: field,
|
|
@@ -34,7 +33,7 @@ function createGaussianWireframe(ctx, unit, structure, theme, props, lines) {
|
|
|
34
33
|
case 2:
|
|
35
34
|
wireframe = _b.sent();
|
|
36
35
|
lines_1.Lines.transform(wireframe, transform);
|
|
37
|
-
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere,
|
|
36
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, maxRadius);
|
|
38
37
|
wireframe.setBoundingSphere(sphere);
|
|
39
38
|
return [2 /*return*/, wireframe];
|
|
40
39
|
}
|
|
@@ -22,6 +22,7 @@ export declare const MolecularSurfaceMeshParams: {
|
|
|
22
22
|
flatShaded: PD.BooleanParam;
|
|
23
23
|
ignoreLight: PD.BooleanParam;
|
|
24
24
|
xrayShaded: PD.BooleanParam;
|
|
25
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
25
26
|
bumpFrequency: PD.Numeric;
|
|
26
27
|
bumpAmplitude: PD.Numeric;
|
|
27
28
|
alpha: PD.Numeric;
|
|
@@ -22,12 +22,12 @@ exports.MolecularSurfaceMeshParams = tslib_1.__assign(tslib_1.__assign(tslib_1._
|
|
|
22
22
|
//
|
|
23
23
|
function createMolecularSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
|
|
24
24
|
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
25
|
-
var _a, transform, field, idField, resolution, params, surface, iterations, sphere;
|
|
25
|
+
var _a, transform, field, idField, resolution, maxRadius, params, surface, iterations, sphere;
|
|
26
26
|
return tslib_1.__generator(this, function (_b) {
|
|
27
27
|
switch (_b.label) {
|
|
28
28
|
case 0: return [4 /*yield*/, (0, molecular_surface_2.computeUnitMolecularSurface)(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
29
29
|
case 1:
|
|
30
|
-
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, resolution = _a.resolution;
|
|
30
|
+
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, resolution = _a.resolution, maxRadius = _a.maxRadius;
|
|
31
31
|
params = {
|
|
32
32
|
isoLevel: props.probeRadius,
|
|
33
33
|
scalarField: field,
|
|
@@ -43,7 +43,7 @@ function createMolecularSurfaceMesh(ctx, unit, structure, theme, props, mesh) {
|
|
|
43
43
|
mesh_1.Mesh.transform(surface, transform);
|
|
44
44
|
if (ctx.webgl && !ctx.webgl.isWebGL2)
|
|
45
45
|
mesh_1.Mesh.uniformTriangleGroup(surface);
|
|
46
|
-
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere,
|
|
46
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, maxRadius);
|
|
47
47
|
surface.setBoundingSphere(sphere);
|
|
48
48
|
surface.meta.resolution = resolution;
|
|
49
49
|
return [2 /*return*/, surface];
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2019-
|
|
3
|
+
* Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -20,12 +20,12 @@ exports.MolecularSurfaceWireframeParams = tslib_1.__assign(tslib_1.__assign(tsli
|
|
|
20
20
|
//
|
|
21
21
|
function createMolecularSurfaceWireframe(ctx, unit, structure, theme, props, lines) {
|
|
22
22
|
return tslib_1.__awaiter(this, void 0, void 0, function () {
|
|
23
|
-
var _a, transform, field, idField, params, wireframe, sphere;
|
|
23
|
+
var _a, transform, field, idField, maxRadius, params, wireframe, sphere;
|
|
24
24
|
return tslib_1.__generator(this, function (_b) {
|
|
25
25
|
switch (_b.label) {
|
|
26
26
|
case 0: return [4 /*yield*/, (0, molecular_surface_2.computeUnitMolecularSurface)(structure, unit, theme.size, props).runInContext(ctx.runtime)];
|
|
27
27
|
case 1:
|
|
28
|
-
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField;
|
|
28
|
+
_a = _b.sent(), transform = _a.transform, field = _a.field, idField = _a.idField, maxRadius = _a.maxRadius;
|
|
29
29
|
params = {
|
|
30
30
|
isoLevel: props.probeRadius,
|
|
31
31
|
scalarField: field,
|
|
@@ -35,7 +35,7 @@ function createMolecularSurfaceWireframe(ctx, unit, structure, theme, props, lin
|
|
|
35
35
|
case 2:
|
|
36
36
|
wireframe = _b.sent();
|
|
37
37
|
lines_1.Lines.transform(wireframe, transform);
|
|
38
|
-
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere,
|
|
38
|
+
sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, maxRadius);
|
|
39
39
|
wireframe.setBoundingSphere(sphere);
|
|
40
40
|
return [2 /*return*/, wireframe];
|
|
41
41
|
}
|
|
@@ -24,6 +24,7 @@ export declare const NucleotideBlockParams: {
|
|
|
24
24
|
flatShaded: PD.BooleanParam;
|
|
25
25
|
ignoreLight: PD.BooleanParam;
|
|
26
26
|
xrayShaded: PD.BooleanParam;
|
|
27
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
27
28
|
bumpFrequency: PD.Numeric;
|
|
28
29
|
bumpAmplitude: PD.Numeric;
|
|
29
30
|
alpha: PD.Numeric;
|
|
@@ -27,6 +27,7 @@ export declare const NucleotideRingParams: {
|
|
|
27
27
|
flatShaded: PD.BooleanParam;
|
|
28
28
|
ignoreLight: PD.BooleanParam;
|
|
29
29
|
xrayShaded: PD.BooleanParam;
|
|
30
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
30
31
|
bumpFrequency: PD.Numeric;
|
|
31
32
|
bumpAmplitude: PD.Numeric;
|
|
32
33
|
alpha: PD.Numeric;
|
|
@@ -19,6 +19,7 @@ export declare const OrientationEllipsoidMeshParams: {
|
|
|
19
19
|
flatShaded: PD.BooleanParam;
|
|
20
20
|
ignoreLight: PD.BooleanParam;
|
|
21
21
|
xrayShaded: PD.BooleanParam;
|
|
22
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
22
23
|
bumpFrequency: PD.Numeric;
|
|
23
24
|
bumpAmplitude: PD.Numeric;
|
|
24
25
|
alpha: PD.Numeric;
|
|
@@ -17,6 +17,7 @@ export declare const PolymerBackboneCylinderParams: {
|
|
|
17
17
|
doubleSided: PD.BooleanParam;
|
|
18
18
|
ignoreLight: PD.BooleanParam;
|
|
19
19
|
xrayShaded: PD.BooleanParam;
|
|
20
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
20
21
|
bumpFrequency: PD.Numeric;
|
|
21
22
|
bumpAmplitude: PD.Numeric;
|
|
22
23
|
alpha: PD.Numeric;
|
|
@@ -50,6 +51,7 @@ export declare function PolymerBackboneCylinderVisual(materialId: number, struct
|
|
|
50
51
|
doubleSided: PD.BooleanParam;
|
|
51
52
|
ignoreLight: PD.BooleanParam;
|
|
52
53
|
xrayShaded: PD.BooleanParam;
|
|
54
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
53
55
|
bumpFrequency: PD.Numeric;
|
|
54
56
|
bumpAmplitude: PD.Numeric;
|
|
55
57
|
alpha: PD.Numeric;
|
|
@@ -16,6 +16,7 @@ export declare const PolymerBackboneSphereParams: {
|
|
|
16
16
|
doubleSided: PD.BooleanParam;
|
|
17
17
|
ignoreLight: PD.BooleanParam;
|
|
18
18
|
xrayShaded: PD.BooleanParam;
|
|
19
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
19
20
|
bumpFrequency: PD.Numeric;
|
|
20
21
|
bumpAmplitude: PD.Numeric;
|
|
21
22
|
alpha: PD.Numeric;
|
|
@@ -48,6 +49,7 @@ export declare function PolymerBackboneSphereVisual(materialId: number, structur
|
|
|
48
49
|
doubleSided: PD.BooleanParam;
|
|
49
50
|
ignoreLight: PD.BooleanParam;
|
|
50
51
|
xrayShaded: PD.BooleanParam;
|
|
52
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
51
53
|
bumpFrequency: PD.Numeric;
|
|
52
54
|
bumpAmplitude: PD.Numeric;
|
|
53
55
|
alpha: PD.Numeric;
|
|
@@ -21,6 +21,7 @@ export declare const PolymerDirectionParams: {
|
|
|
21
21
|
flatShaded: PD.BooleanParam;
|
|
22
22
|
ignoreLight: PD.BooleanParam;
|
|
23
23
|
xrayShaded: PD.BooleanParam;
|
|
24
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
24
25
|
bumpFrequency: PD.Numeric;
|
|
25
26
|
bumpAmplitude: PD.Numeric;
|
|
26
27
|
alpha: PD.Numeric;
|
|
@@ -24,6 +24,7 @@ export declare const PolymerGapParams: {
|
|
|
24
24
|
flatShaded: PD.BooleanParam;
|
|
25
25
|
ignoreLight: PD.BooleanParam;
|
|
26
26
|
xrayShaded: PD.BooleanParam;
|
|
27
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
27
28
|
bumpFrequency: PD.Numeric;
|
|
28
29
|
bumpAmplitude: PD.Numeric;
|
|
29
30
|
alpha: PD.Numeric;
|
|
@@ -42,6 +42,7 @@ export declare const PolymerTraceParams: {
|
|
|
42
42
|
flatShaded: PD.BooleanParam;
|
|
43
43
|
ignoreLight: PD.BooleanParam;
|
|
44
44
|
xrayShaded: PD.BooleanParam;
|
|
45
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
45
46
|
bumpFrequency: PD.Numeric;
|
|
46
47
|
bumpAmplitude: PD.Numeric;
|
|
47
48
|
alpha: PD.Numeric;
|
|
@@ -30,6 +30,7 @@ export declare const PolymerTubeParams: {
|
|
|
30
30
|
flatShaded: PD.BooleanParam;
|
|
31
31
|
ignoreLight: PD.BooleanParam;
|
|
32
32
|
xrayShaded: PD.BooleanParam;
|
|
33
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
33
34
|
bumpFrequency: PD.Numeric;
|
|
34
35
|
bumpAmplitude: PD.Numeric;
|
|
35
36
|
alpha: PD.Numeric;
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
@@ -85,5 +85,3 @@ export declare function getStructureConformationAndRadius(structure: Structure,
|
|
|
85
85
|
export declare function isHydrogen(unit: Unit, element: ElementIndex): boolean;
|
|
86
86
|
export declare function isH(atomicNumber: ArrayLike<number>, element: ElementIndex): boolean;
|
|
87
87
|
export declare function isTrace(unit: Unit, element: ElementIndex): boolean;
|
|
88
|
-
export declare function getUnitExtraRadius(unit: Unit): number;
|
|
89
|
-
export declare function getStructureExtraRadius(structure: Structure): number;
|
|
@@ -1,11 +1,11 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
7
7
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
8
|
-
exports.
|
|
8
|
+
exports.isTrace = exports.isH = exports.isHydrogen = exports.getStructureConformationAndRadius = exports.getUnitConformationAndRadius = exports.DefaultCommonSurfaceProps = exports.CommonSurfaceParams = exports.getConformation = exports.ensureReasonableResolution = exports.getVolumeSliceInfo = exports.includesUnitKind = exports.UnitKindOptions = exports.UnitKindInfo = exports.createUnitsTransform = exports.getAltResidueLociFromId = exports.getAltResidueLoci = exports.getResidueLoci = void 0;
|
|
9
9
|
var tslib_1 = require("tslib");
|
|
10
10
|
var structure_1 = require("../../../../mol-model/structure");
|
|
11
11
|
var linear_algebra_1 = require("../../../../mol-math/linear-algebra");
|
|
@@ -289,28 +289,3 @@ function isTrace(unit, element) {
|
|
|
289
289
|
return false;
|
|
290
290
|
}
|
|
291
291
|
exports.isTrace = isTrace;
|
|
292
|
-
function getUnitExtraRadius(unit) {
|
|
293
|
-
if (structure_1.Unit.isAtomic(unit))
|
|
294
|
-
return 4;
|
|
295
|
-
var max = 0;
|
|
296
|
-
var elements = unit.elements;
|
|
297
|
-
var r = unit.conformation.r;
|
|
298
|
-
for (var i = 0, _i = elements.length; i < _i; i++) {
|
|
299
|
-
var _r = r(elements[i]);
|
|
300
|
-
if (_r > max)
|
|
301
|
-
max = _r;
|
|
302
|
-
}
|
|
303
|
-
return max + 1;
|
|
304
|
-
}
|
|
305
|
-
exports.getUnitExtraRadius = getUnitExtraRadius;
|
|
306
|
-
function getStructureExtraRadius(structure) {
|
|
307
|
-
var max = 0;
|
|
308
|
-
for (var _a = 0, _b = structure.unitSymmetryGroups; _a < _b.length; _a++) {
|
|
309
|
-
var ug = _b[_a];
|
|
310
|
-
var r = getUnitExtraRadius(ug.units[0]);
|
|
311
|
-
if (r > max)
|
|
312
|
-
max = r;
|
|
313
|
-
}
|
|
314
|
-
return max;
|
|
315
|
-
}
|
|
316
|
-
exports.getStructureExtraRadius = getStructureExtraRadius;
|
|
@@ -1,5 +1,5 @@
|
|
|
1
1
|
/**
|
|
2
|
-
* Copyright (c) 2018-
|
|
2
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
3
3
|
*
|
|
4
4
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
5
5
|
*/
|
|
@@ -31,6 +31,7 @@ export interface QualityProps {
|
|
|
31
31
|
doubleSided: boolean;
|
|
32
32
|
xrayShaded: boolean;
|
|
33
33
|
alpha: number;
|
|
34
|
+
allowTransparentBackfaces: boolean;
|
|
34
35
|
}
|
|
35
36
|
export declare const DefaultQualityThresholds: {
|
|
36
37
|
lowestElementCount: number;
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
2
|
/**
|
|
3
|
-
* Copyright (c) 2018-
|
|
3
|
+
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
|
|
4
4
|
*
|
|
5
5
|
* @author Alexander Rose <alexander.rose@weirdbyte.de>
|
|
6
6
|
*/
|
|
@@ -169,7 +169,7 @@ function getQualityProps(props, data) {
|
|
|
169
169
|
// max resolution based on volume (for 'auto' quality)
|
|
170
170
|
resolution = Math.max(resolution, volume / 500000000);
|
|
171
171
|
resolution = Math.min(resolution, 20);
|
|
172
|
-
if ((props.alpha !== undefined && props.alpha < 1) || !!props.xrayShaded) {
|
|
172
|
+
if (!props.allowTransparentBackfaces && ((props.alpha !== undefined && props.alpha < 1) || !!props.xrayShaded)) {
|
|
173
173
|
doubleSided = false;
|
|
174
174
|
}
|
|
175
175
|
return {
|
|
@@ -93,6 +93,7 @@ export declare function IsosurfaceVisual(materialId: number, volume: Volume, pro
|
|
|
93
93
|
flatShaded: PD.BooleanParam;
|
|
94
94
|
ignoreLight: PD.BooleanParam;
|
|
95
95
|
xrayShaded: PD.BooleanParam;
|
|
96
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
96
97
|
bumpFrequency: PD.Numeric;
|
|
97
98
|
bumpAmplitude: PD.Numeric;
|
|
98
99
|
alpha: PD.Numeric;
|
|
@@ -166,6 +167,7 @@ export declare const IsosurfaceMeshParams: {
|
|
|
166
167
|
flatShaded: PD.BooleanParam;
|
|
167
168
|
ignoreLight: PD.BooleanParam;
|
|
168
169
|
xrayShaded: PD.BooleanParam;
|
|
170
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
169
171
|
bumpFrequency: PD.Numeric;
|
|
170
172
|
bumpAmplitude: PD.Numeric;
|
|
171
173
|
alpha: PD.Numeric;
|
|
@@ -328,6 +330,7 @@ export declare const IsosurfaceParams: {
|
|
|
328
330
|
flatShaded: PD.BooleanParam;
|
|
329
331
|
ignoreLight: PD.BooleanParam;
|
|
330
332
|
xrayShaded: PD.BooleanParam;
|
|
333
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
331
334
|
bumpAmplitude: PD.Numeric;
|
|
332
335
|
};
|
|
333
336
|
export declare type IsosurfaceParams = typeof IsosurfaceParams;
|
|
@@ -403,6 +406,7 @@ export declare function getIsosurfaceParams(ctx: ThemeRegistryContext, volume: V
|
|
|
403
406
|
flatShaded: PD.BooleanParam;
|
|
404
407
|
ignoreLight: PD.BooleanParam;
|
|
405
408
|
xrayShaded: PD.BooleanParam;
|
|
409
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
406
410
|
bumpAmplitude: PD.Numeric;
|
|
407
411
|
};
|
|
408
412
|
export declare type IsosurfaceRepresentation = VolumeRepresentation<IsosurfaceParams>;
|
|
@@ -479,5 +483,6 @@ export declare const IsosurfaceRepresentationProvider: VolumeRepresentationProvi
|
|
|
479
483
|
flatShaded: PD.BooleanParam;
|
|
480
484
|
ignoreLight: PD.BooleanParam;
|
|
481
485
|
xrayShaded: PD.BooleanParam;
|
|
486
|
+
allowTransparentBackfaces: PD.BooleanParam;
|
|
482
487
|
bumpAmplitude: PD.Numeric;
|
|
483
488
|
}, "isosurface">;
|
|
@@ -82,6 +82,7 @@ export declare namespace VolumeRepresentationRegistry {
|
|
|
82
82
|
flatShaded: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
|
|
83
83
|
ignoreLight: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
|
|
84
84
|
xrayShaded: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
|
|
85
|
+
allowTransparentBackfaces: import("../../mol-util/param-definition").ParamDefinition.BooleanParam;
|
|
85
86
|
bumpAmplitude: import("../../mol-util/param-definition").ParamDefinition.Numeric;
|
|
86
87
|
}, "isosurface">;
|
|
87
88
|
slice: import("./representation").VolumeRepresentationProvider<{
|
|
@@ -10,6 +10,7 @@ export declare namespace MolScriptBuilder {
|
|
|
10
10
|
'@header': string;
|
|
11
11
|
type: {
|
|
12
12
|
'@header': string;
|
|
13
|
+
/** atom macromolecular property set */
|
|
13
14
|
bool: MSymbol<import("./symbol").Arguments<import("./symbol").Arguments.PropTypes<{
|
|
14
15
|
0: import("./symbol").Argument<import("./type").Type.AnyValue>;
|
|
15
16
|
}>>, import("./type").Type.OneOf<boolean>>;
|