From 7384bebf4eb59d8953924415b5940e96001da5f3 Mon Sep 17 00:00:00 2001
From: David Sehnal <dsehnal@users.noreply.github.com>
Date: Sat, 31 Dec 2022 11:22:05 +0100
Subject: [PATCH] Fix some cyclic imports & reduce const enum usage (#680)
* fix mol-theme/color
* fix mol-theme/size
* remove unnecessary const enums
* remove Column.ValueType const enum
* NumberTypes
* ValueKindConst => ValueKinds
* more const enum fixes
* more const enums
* readme
* update filename
* typing
* FeatureTypes
---
CHANGELOG.md | 2 ++
src/extensions/cellpack/data.ts | 2 +-
src/mol-canvas3d/helper/camera-helper.ts | 2 +-
src/mol-canvas3d/helper/interaction-events.ts | 2 +-
src/mol-data/db/column.ts | 31 ++++++++++++++-----
src/mol-data/db/table.ts | 4 +--
src/mol-gl/renderer.ts | 4 +--
src/mol-io/common/binary-cif/encoding.ts | 4 +--
src/mol-io/reader/_spec/common.spec.ts | 26 ++++++++--------
src/mol-io/reader/cif/binary/field.ts | 8 ++---
src/mol-io/reader/cif/data-model.ts | 30 +++++++++---------
src/mol-io/reader/cif/schema.ts | 2 +-
src/mol-io/reader/common/text/column/fixed.ts | 2 +-
src/mol-io/reader/common/text/column/token.ts | 2 +-
.../reader/common/text/number-parser.ts | 30 +++++++++++-------
src/mol-io/writer/cif/encoder/binary.ts | 8 ++---
src/mol-io/writer/cif/encoder/text.ts | 6 ++--
.../structure/basic/atomic.ts | 4 +--
.../structure/basic/parser.ts | 8 ++---
src/mol-model-formats/structure/basic/sort.ts | 2 +-
src/mol-model-formats/structure/basic/util.ts | 2 +-
.../structure/property/bonds/struct_conn.ts | 2 +-
.../structure/property/secondary-structure.ts | 12 +++----
.../computed/accessible-surface-area.ts | 4 +--
.../accessible-surface-area/shrake-rupley.ts | 15 ++++++---
.../computed/chemistry/geometry.ts | 2 +-
.../computed/interactions/common.ts | 24 ++++++++++++--
src/mol-model-props/sequence/sifts-mapping.ts | 2 +-
src/mol-model/sequence/sequence.ts | 2 +-
.../categories/atom_site_operator_mapping.ts | 4 +--
.../export/categories/secondary-structure.ts | 4 +--
src/mol-model/structure/model/model.ts | 2 +-
src/mol-model/structure/model/types.ts | 2 +-
.../query/utils/structure-distance.ts | 8 ++---
.../structure/carbohydrates/constants.ts | 4 +--
src/mol-model/structure/structure/unit.ts | 5 ++-
src/mol-theme/clipping.ts | 2 +-
src/mol-theme/color.ts | 10 ++----
src/mol-theme/color/atom-id.ts | 5 +--
src/mol-theme/color/carbohydrate-symbol.ts | 5 +--
src/mol-theme/color/categories.ts | 14 +++++++++
src/mol-theme/color/chain-id.ts | 5 +--
src/mol-theme/color/element-index.ts | 5 +--
src/mol-theme/color/element-symbol.ts | 5 +--
src/mol-theme/color/entity-id.ts | 5 +--
src/mol-theme/color/entity-source.ts | 9 +++---
src/mol-theme/color/external-volume.ts | 5 +--
src/mol-theme/color/hydrophobicity.ts | 5 +--
src/mol-theme/color/illustrative.ts | 5 +--
src/mol-theme/color/model-index.ts | 5 +--
src/mol-theme/color/molecule-type.ts | 5 +--
src/mol-theme/color/occupancy.ts | 5 +--
src/mol-theme/color/operator-hkl.ts | 5 +--
src/mol-theme/color/operator-name.ts | 5 +--
src/mol-theme/color/partial-charge.ts | 5 +--
src/mol-theme/color/polymer-id.ts | 5 +--
src/mol-theme/color/polymer-index.ts | 5 +--
src/mol-theme/color/residue-name.ts | 5 +--
src/mol-theme/color/secondary-structure.ts | 5 +--
src/mol-theme/color/sequence-id.ts | 5 +--
src/mol-theme/color/shape-group.ts | 5 +--
src/mol-theme/color/structure-index.ts | 5 +--
src/mol-theme/color/trajectory-index.ts | 5 +--
src/mol-theme/color/uncertainty.ts | 5 +--
src/mol-theme/color/uniform.ts | 5 +--
src/mol-theme/color/unit-index.ts | 5 +--
src/mol-theme/color/volume-segment.ts | 5 +--
src/mol-theme/color/volume-value.ts | 5 +--
src/mol-theme/label.ts | 2 +-
src/mol-theme/size/physical.ts | 2 +-
src/mol-theme/size/shape-group.ts | 2 +-
src/mol-theme/size/uncertainty.ts | 2 +-
src/mol-theme/size/uniform.ts | 2 +-
src/mol-util/input/input-observer.ts | 4 +--
src/servers/model/server/query.ts | 2 +-
src/servers/volume/server/query/encode.ts | 2 +-
76 files changed, 278 insertions(+), 188 deletions(-)
create mode 100644 src/mol-theme/color/categories.ts
diff --git a/CHANGELOG.md b/CHANGELOG.md
index c434e06ed..992f4a754 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -8,6 +8,8 @@ Note that since we don't clearly distinguish between a public and private interf
- `meshes` extension: Fixed a bug in mesh visualization (show backfaces when opacity < 1)
- Add color quick select control to Volume controls
+- Fix `dropFiles` bug
+- Fix some cyclic imports and reduce the use of const enums. This should make it easier to use the library with the `isolatedModules: true` TS config.
- Fix `dropFiles` bug (#679)
- Add `input type='color'` picker to `CombinedColorControl`
- Set `ParameterMappingControl` disabled when state is updating
diff --git a/src/extensions/cellpack/data.ts b/src/extensions/cellpack/data.ts
index 6764ddc7f..41522f136 100644
--- a/src/extensions/cellpack/data.ts
+++ b/src/extensions/cellpack/data.ts
@@ -52,7 +52,7 @@ export interface Compartment {
}
// Primitives discribing a compartment
-export const enum CompartmentPrimitiveType {
+export enum CompartmentPrimitiveType {
MetaBall = 0,
Sphere = 1,
Cube = 2,
diff --git a/src/mol-canvas3d/helper/camera-helper.ts b/src/mol-canvas3d/helper/camera-helper.ts
index 4d26b81ce..facc81a7a 100644
--- a/src/mol-canvas3d/helper/camera-helper.ts
+++ b/src/mol-canvas3d/helper/camera-helper.ts
@@ -135,7 +135,7 @@ export class CameraHelper {
}
}
-export const enum CameraHelperAxis {
+export enum CameraHelperAxis {
None = 0,
X,
Y,
diff --git a/src/mol-canvas3d/helper/interaction-events.ts b/src/mol-canvas3d/helper/interaction-events.ts
index 48e6c13ba..30145c951 100644
--- a/src/mol-canvas3d/helper/interaction-events.ts
+++ b/src/mol-canvas3d/helper/interaction-events.ts
@@ -19,7 +19,7 @@ type HoverEvent = import('../canvas3d').Canvas3D.HoverEvent
type DragEvent = import('../canvas3d').Canvas3D.DragEvent
type ClickEvent = import('../canvas3d').Canvas3D.ClickEvent
-const enum InputEvent { Move, Click, Drag }
+enum InputEvent { Move, Click, Drag }
const tmpPosA = Vec3();
const tmpPos = Vec3();
diff --git a/src/mol-data/db/column.ts b/src/mol-data/db/column.ts
index c65d7552b..3120b6a47 100644
--- a/src/mol-data/db/column.ts
+++ b/src/mol-data/db/column.ts
@@ -93,20 +93,35 @@ namespace Column {
return !!v && !!(v as Column<any>).schema && !!(v as Column<any>).value;
}
- export const enum ValueKind {
+ // Value kinds are accessed very of often
+ // Using a const enum is an internal optimization and is defined separately to better support
+ // compiling with isolatedModules flag in 3rd party use-cases of Mol*.
+ export const enum ValueKinds {
+ /** Defined value (= 0) */
Present = 0,
- /** Expressed in CIF as `.` */
+ /** Expressed in CIF as `.` (= 1) */
NotPresent = 1,
- /** Expressed in CIF as `?` */
+ /** Expressed in CIF as `?` (= 2) */
Unknown = 2
}
+ export const ValueKind = {
+ /** Defined value (= 0) */
+ Present: ValueKinds.Present,
+ /** Expressed in CIF as `.` (= 1) */
+ NotPresent: ValueKinds.NotPresent,
+ /** Expressed in CIF as `?` (= 2) */
+ Unknown: ValueKinds.Unknown
+ } as const;
+ export type ValueKind = (typeof ValueKind)[keyof typeof ValueKinds];
+
+
export function Undefined<T extends Schema>(rowCount: number, schema: T): Column<T['T']> {
- return constColumn(schema['T'], rowCount, schema, ValueKind.NotPresent);
+ return constColumn(schema['T'], rowCount, schema, ValueKinds.NotPresent);
}
export function ofConst<T extends Schema>(v: T['T'], rowCount: number, type: T): Column<T['T']> {
- return constColumn(v, rowCount, type, ValueKind.Present);
+ return constColumn(v, rowCount, type, ValueKinds.Present);
}
export function ofLambda<T extends Schema>(spec: LambdaSpec<T>): Column<T['T']> {
@@ -256,7 +271,7 @@ function constColumn<T extends Column.Schema>(v: T['T'], rowCount: number, schem
return {
schema: schema,
__array: void 0,
- isDefined: valueKind === Column.ValueKind.Present,
+ isDefined: valueKind === Column.ValueKinds.Present,
rowCount,
value,
valueKind: row => valueKind,
@@ -276,7 +291,7 @@ function lambdaColumn<T extends Column.Schema>({ value, valueKind, areValuesEqua
isDefined: true,
rowCount,
value,
- valueKind: valueKind ? valueKind : row => Column.ValueKind.Present,
+ valueKind: valueKind ? valueKind : row => Column.ValueKinds.Present,
toArray: params => {
const { array, start } = ColumnHelpers.createArray(rowCount, params);
for (let i = 0, _i = array.length; i < _i; i++) array[i] = value(i + start);
@@ -304,7 +319,7 @@ function arrayColumn<T extends Column.Schema>({ array, schema, valueKind }: Colu
isDefined: true,
rowCount,
value,
- valueKind: valueKind ? valueKind : row => Column.ValueKind.Present,
+ valueKind: valueKind ? valueKind : row => Column.ValueKinds.Present,
toArray: schema.valueType === 'str'
? (schema as Column.Schema.Str).transform === 'lowercase'
? params => {
diff --git a/src/mol-data/db/table.ts b/src/mol-data/db/table.ts
index cc0ed0258..5545c0fd9 100644
--- a/src/mol-data/db/table.ts
+++ b/src/mol-data/db/table.ts
@@ -85,7 +85,7 @@ namespace Table {
rowCount,
schema: schema[k],
value: r => rows[r][k],
- valueKind: r => typeof rows[r][k] === 'undefined' ? Column.ValueKind.NotPresent : Column.ValueKind.Present
+ valueKind: r => typeof rows[r][k] === 'undefined' ? Column.ValueKinds.NotPresent : Column.ValueKinds.Present
});
}
return ret as R;
@@ -267,7 +267,7 @@ namespace Table {
StringBuilder.write(sb, '|');
for (let i = 0; i < cols.length; i++) {
const c = table[cols[i]];
- if (c.valueKind(r) === Column.ValueKind.Present) {
+ if (c.valueKind(r) === Column.ValueKinds.Present) {
StringBuilder.write(sb, c.value(r));
StringBuilder.write(sb, '|');
} else {
diff --git a/src/mol-gl/renderer.ts b/src/mol-gl/renderer.ts
index c41bf3283..1b7cb22b6 100644
--- a/src/mol-gl/renderer.ts
+++ b/src/mol-gl/renderer.ts
@@ -38,14 +38,14 @@ export interface RendererStats {
instancedDrawCount: number
}
-export const enum PickType {
+export enum PickType {
None = 0,
Object = 1,
Instance = 2,
Group = 3,
}
-export const enum MarkingType {
+export enum MarkingType {
None = 0,
Depth = 1,
Mask = 2,
diff --git a/src/mol-io/common/binary-cif/encoding.ts b/src/mol-io/common/binary-cif/encoding.ts
index f69792b55..21d5511e2 100644
--- a/src/mol-io/common/binary-cif/encoding.ts
+++ b/src/mol-io/common/binary-cif/encoding.ts
@@ -57,7 +57,7 @@ export interface EncodedData {
export namespace Encoding {
- export const enum IntDataType {
+ export enum IntDataType {
Int8 = 1,
Int16 = 2,
Int32 = 3,
@@ -66,7 +66,7 @@ export namespace Encoding {
Uint32 = 6,
}
- export const enum FloatDataType {
+ export enum FloatDataType {
Float32 = 32,
Float64 = 33
}
diff --git a/src/mol-io/reader/_spec/common.spec.ts b/src/mol-io/reader/_spec/common.spec.ts
index ba94d4694..a237a87e2 100644
--- a/src/mol-io/reader/_spec/common.spec.ts
+++ b/src/mol-io/reader/_spec/common.spec.ts
@@ -4,7 +4,7 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { parseFloat as fastParseFloat, parseInt as fastParseInt, getNumberType, NumberType } from '../../../mol-io/reader/common/text/number-parser';
+import { parseFloat as fastParseFloat, parseInt as fastParseInt, getNumberType, NumberTypes } from '../../../mol-io/reader/common/text/number-parser';
describe('common', () => {
it('number-parser fastParseFloat', () => {
@@ -24,17 +24,17 @@ describe('common', () => {
});
it('number-parser getNumberType', () => {
- expect(getNumberType('11')).toBe(NumberType.Int);
- expect(getNumberType('5E93')).toBe(NumberType.Scientific);
- expect(getNumberType('0.42')).toBe(NumberType.Float);
- expect(getNumberType('Foo123')).toBe(NumberType.NaN);
- expect(getNumberType('11.0829(23)')).toBe(NumberType.NaN);
- expect(getNumberType('1..2')).toBe(NumberType.NaN);
- expect(getNumberType('.')).toBe(NumberType.NaN);
- expect(getNumberType('-.')).toBe(NumberType.NaN);
- expect(getNumberType('e')).toBe(NumberType.NaN);
- expect(getNumberType('-e')).toBe(NumberType.NaN);
- expect(getNumberType('1e')).toBe(NumberType.Scientific);
- expect(getNumberType('-1e')).toBe(NumberType.Scientific);
+ expect(getNumberType('11')).toBe(NumberTypes.Int);
+ expect(getNumberType('5E93')).toBe(NumberTypes.Scientific);
+ expect(getNumberType('0.42')).toBe(NumberTypes.Float);
+ expect(getNumberType('Foo123')).toBe(NumberTypes.NaN);
+ expect(getNumberType('11.0829(23)')).toBe(NumberTypes.NaN);
+ expect(getNumberType('1..2')).toBe(NumberTypes.NaN);
+ expect(getNumberType('.')).toBe(NumberTypes.NaN);
+ expect(getNumberType('-.')).toBe(NumberTypes.NaN);
+ expect(getNumberType('e')).toBe(NumberTypes.NaN);
+ expect(getNumberType('-e')).toBe(NumberTypes.NaN);
+ expect(getNumberType('1e')).toBe(NumberTypes.Scientific);
+ expect(getNumberType('-1e')).toBe(NumberTypes.Scientific);
});
});
\ No newline at end of file
diff --git a/src/mol-io/reader/cif/binary/field.ts b/src/mol-io/reader/cif/binary/field.ts
index e80a5852f..892001ebe 100644
--- a/src/mol-io/reader/cif/binary/field.ts
+++ b/src/mol-io/reader/cif/binary/field.ts
@@ -17,10 +17,10 @@ export function Field(column: EncodedColumn): Data.CifField {
const str: Data.CifField['str'] = isNumeric
? mask
- ? row => mask[row] === Column.ValueKind.Present ? '' + data[row] : ''
+ ? row => mask[row] === Column.ValueKinds.Present ? '' + data[row] : ''
: row => '' + data[row]
: mask
- ? row => mask[row] === Column.ValueKind.Present ? data[row] : ''
+ ? row => mask[row] === Column.ValueKinds.Present ? data[row] : ''
: row => data[row];
const int: Data.CifField['int'] = isNumeric
@@ -32,8 +32,8 @@ export function Field(column: EncodedColumn): Data.CifField {
: row => { const v = data[row]; return fastParseFloat(v, 0, v.length); };
const valueKind: Data.CifField['valueKind'] = mask
- ? row => mask[row]
- : row => Column.ValueKind.Present;
+ ? row => mask[row] as Column.ValueKind
+ : row => Column.ValueKinds.Present;
const rowCount = data.length;
diff --git a/src/mol-io/reader/cif/data-model.ts b/src/mol-io/reader/cif/data-model.ts
index af9a713cd..b5adb854d 100644
--- a/src/mol-io/reader/cif/data-model.ts
+++ b/src/mol-io/reader/cif/data-model.ts
@@ -7,7 +7,7 @@
import { Column, ColumnHelpers, Table } from '../../../mol-data/db';
import { Tensor } from '../../../mol-math/linear-algebra';
-import { getNumberType, NumberType, parseInt as fastParseInt, parseFloat as fastParseFloat } from '../common/text/number-parser';
+import { getNumberType, NumberTypes, parseInt as fastParseInt, parseFloat as fastParseFloat } from '../common/text/number-parser';
import { Encoding } from '../../common/binary-cif';
import { Tokens } from '../common/text/tokenizer';
import { areValuesEqualProvider } from '../common/text/column/token';
@@ -124,12 +124,12 @@ export namespace CifField {
const float: CifField['float'] = row => { const v = values[row]; return fastParseFloat(v, 0, v.length) || 0; };
const valueKind: CifField['valueKind'] = row => {
const v = values[row], l = v.length;
- if (l > 1) return Column.ValueKind.Present;
- if (l === 0) return Column.ValueKind.NotPresent;
+ if (l > 1) return Column.ValueKinds.Present;
+ if (l === 0) return Column.ValueKinds.NotPresent;
const c = v.charCodeAt(0);
- if (c === 46 /* . */) return Column.ValueKind.NotPresent;
- if (c === 63 /* ? */) return Column.ValueKind.Unknown;
- return Column.ValueKind.Present;
+ if (c === 46 /* . */) return Column.ValueKinds.NotPresent;
+ if (c === 63 /* ? */) return Column.ValueKinds.Unknown;
+ return Column.ValueKinds.Present;
};
return {
@@ -152,7 +152,7 @@ export namespace CifField {
const rowCount = values.length;
const str: CifField['str'] = row => { return '' + values[row]; };
const float: CifField['float'] = row => values[row];
- const valueKind: CifField['valueKind'] = row => Column.ValueKind.Present;
+ const valueKind: CifField['valueKind'] = row => Column.ValueKinds.Present;
const toFloatArray = (params: Column.ToArrayParams<number>) => {
if (!params || params.array && values instanceof params.array) {
@@ -197,12 +197,12 @@ export namespace CifField {
const valueKind: CifField['valueKind'] = row => {
const s = indices[2 * row], l = indices[2 * row + 1] - s;
- if (l > 1) return Column.ValueKind.Present;
- if (l === 0) return Column.ValueKind.NotPresent;
+ if (l > 1) return Column.ValueKinds.Present;
+ if (l === 0) return Column.ValueKinds.NotPresent;
const v = data.charCodeAt(s);
- if (v === 46 /* . */) return Column.ValueKind.NotPresent;
- if (v === 63 /* ? */) return Column.ValueKind.Unknown;
- return Column.ValueKind.Present;
+ if (v === 46 /* . */) return Column.ValueKinds.NotPresent;
+ if (v === 63 /* ? */) return Column.ValueKinds.Unknown;
+ return Column.ValueKinds.Present;
};
return {
@@ -328,13 +328,13 @@ export function getCifFieldType(field: CifField): Column.Schema.Int | Column.Sch
let floatCount = 0, hasStringOrScientific = false, undefinedCount = 0;
for (let i = 0, _i = field.rowCount; i < _i; i++) {
const k = field.valueKind(i);
- if (k !== Column.ValueKind.Present) {
+ if (k !== Column.ValueKinds.Present) {
undefinedCount++;
continue;
}
const type = getNumberType(field.str(i));
- if (type === NumberType.Int) continue;
- else if (type === NumberType.Float) floatCount++;
+ if (type === NumberTypes.Int) continue;
+ else if (type === NumberTypes.Float) floatCount++;
else { hasStringOrScientific = true; break; }
}
diff --git a/src/mol-io/reader/cif/schema.ts b/src/mol-io/reader/cif/schema.ts
index d5d809d13..305e5f6df 100644
--- a/src/mol-io/reader/cif/schema.ts
+++ b/src/mol-io/reader/cif/schema.ts
@@ -101,7 +101,7 @@ function createListColumn<T extends number | string>(schema: Column.Schema.List<
isDefined: !!f,
rowCount: category.rowCount,
value,
- valueKind: f ? f.valueKind : () => Column.ValueKind.NotPresent,
+ valueKind: f ? f.valueKind : () => Column.ValueKinds.NotPresent,
areValuesEqual: (rowA, rowB) => arrayEqual(value(rowA), value(rowB)),
toArray
};
diff --git a/src/mol-io/reader/common/text/column/fixed.ts b/src/mol-io/reader/common/text/column/fixed.ts
index c1bea2da4..bebf4ca7d 100644
--- a/src/mol-io/reader/common/text/column/fixed.ts
+++ b/src/mol-io/reader/common/text/column/fixed.ts
@@ -39,7 +39,7 @@ export function FixedColumn<T extends Column.Schema>(lines: Tokens, offset: numb
isDefined: true,
rowCount,
value,
- valueKind: row => Column.ValueKind.Present,
+ valueKind: row => Column.ValueKinds.Present,
toArray: params => ColumnHelpers.createAndFillArray(rowCount, value, params),
areValuesEqual: (rowA, rowB) => value(rowA) === value(rowB)
};
diff --git a/src/mol-io/reader/common/text/column/token.ts b/src/mol-io/reader/common/text/column/token.ts
index 8560c80ec..1026a0221 100644
--- a/src/mol-io/reader/common/text/column/token.ts
+++ b/src/mol-io/reader/common/text/column/token.ts
@@ -32,7 +32,7 @@ export function TokenColumn<T extends Column.Schema>(tokens: Tokens, schema: T):
isDefined: true,
rowCount,
value,
- valueKind: row => Column.ValueKind.Present,
+ valueKind: row => Column.ValueKinds.Present,
toArray: params => ColumnHelpers.createAndFillArray(rowCount, value, params),
areValuesEqual: areValuesEqualProvider(tokens)
};
diff --git a/src/mol-io/reader/common/text/number-parser.ts b/src/mol-io/reader/common/text/number-parser.ts
index a38e5a1d0..67d383604 100644
--- a/src/mol-io/reader/common/text/number-parser.ts
+++ b/src/mol-io/reader/common/text/number-parser.ts
@@ -87,13 +87,21 @@ export function parseFloat(str: string, start: number, end: number) {
return neg * ret;
}
-export const enum NumberType {
- Int,
- Float,
- Scientific,
- NaN
+export const enum NumberTypes {
+ Int = 0,
+ Float = 1,
+ Scientific = 2,
+ NaN = 3
}
+export const NumberType = {
+ Int: NumberTypes.Int,
+ Float: NumberTypes.Float,
+ Scientific: NumberTypes.Scientific,
+ NaN: NumberTypes.NaN
+} as const;
+export type NumberType = (typeof NumberType)[keyof typeof NumberType];
+
function isInt(str: string, start: number, end: number) {
if (str.charCodeAt(start) === 45 /* - */) { start++; }
for (; start < end; start++) {
@@ -107,7 +115,7 @@ function isInt(str: string, start: number, end: number) {
function getNumberTypeScientific(str: string, start: number, end: number) {
// handle + in '1e+1' separately.
if (str.charCodeAt(start) === 43 /* + */) start++;
- return isInt(str, start, end) ? NumberType.Scientific : NumberType.NaN;
+ return isInt(str, start, end) ? NumberTypes.Scientific : NumberTypes.NaN;
}
/** The whole range must match, otherwise returns NaN */
@@ -121,7 +129,7 @@ export function getNumberType(str: string): NumberType {
// string is . or -.
if (str.charCodeAt(start) === 46 && end - start === 1) {
- return NumberType.NaN;
+ return NumberTypes.NaN;
}
while (start < end) {
@@ -139,18 +147,18 @@ export function getNumberType(str: string): NumberType {
} else if (c === 53 || c === 21) { // 'e'/'E'
return getNumberTypeScientific(str, start + 1, end);
} else {
- return NumberType.NaN;
+ return NumberTypes.NaN;
}
}
- return hasDigit ? NumberType.Float : NumberType.Int;
+ return hasDigit ? NumberTypes.Float : NumberTypes.Int;
} else if (c === 53 || c === 21) { // 'e'/'E'
if (start === 0 || start === 1 && str.charCodeAt(0) === 45) {
- return NumberType.NaN; // string starts with e/E or -e/-E
+ return NumberTypes.NaN; // string starts with e/E or -e/-E
}
return getNumberTypeScientific(str, start + 1, end);
} else {
break;
}
}
- return start === end ? NumberType.Int : NumberType.NaN;
+ return start === end ? NumberTypes.Int : NumberTypes.NaN;
}
diff --git a/src/mol-io/writer/cif/encoder/binary.ts b/src/mol-io/writer/cif/encoder/binary.ts
index 9222e22b7..43d66a301 100644
--- a/src/mol-io/writer/cif/encoder/binary.ts
+++ b/src/mol-io/writer/cif/encoder/binary.ts
@@ -184,8 +184,8 @@ function getFieldData(field: Field<any, any>, arrayCtor: ArrayCtor<string | numb
const keys = data[_d].keys();
while (keys.hasNext) {
const key = keys.move();
- const p = valueKind ? valueKind(key, d) : Column.ValueKind.Present;
- if (p !== Column.ValueKind.Present) {
+ const p = valueKind ? valueKind(key, d) : Column.ValueKinds.Present;
+ if (p !== Column.ValueKinds.Present) {
mask[offset] = p;
if (isStr)
array[offset] = '';
@@ -193,10 +193,10 @@ function getFieldData(field: Field<any, any>, arrayCtor: ArrayCtor<string | numb
} else {
const value = getter(key, d, offset);
if (typeof value === 'string' && !value) {
- mask[offset] = Column.ValueKind.NotPresent;
+ mask[offset] = Column.ValueKinds.NotPresent;
allPresent = false;
} else {
- mask[offset] = Column.ValueKind.Present;
+ mask[offset] = Column.ValueKinds.Present;
}
array[offset] = value;
}
diff --git a/src/mol-io/writer/cif/encoder/text.ts b/src/mol-io/writer/cif/encoder/text.ts
index 8603bb10a..8840a72f0 100644
--- a/src/mol-io/writer/cif/encoder/text.ts
+++ b/src/mol-io/writer/cif/encoder/text.ts
@@ -82,9 +82,9 @@ export class TextEncoder implements Encoder<string> {
function writeValue(builder: StringBuilder, data: any, key: any, f: Field<any, any>, floatPrecision: number, index: number): boolean {
const kind = f.valueKind;
- const p = kind ? kind(key, data) : Column.ValueKind.Present;
- if (p !== Column.ValueKind.Present) {
- if (p === Column.ValueKind.NotPresent) writeNotPresent(builder);
+ const p = kind ? kind(key, data) : Column.ValueKinds.Present;
+ if (p !== Column.ValueKinds.Present) {
+ if (p === Column.ValueKinds.NotPresent) writeNotPresent(builder);
else writeUnknown(builder);
} else {
const val = f.value(key, data, index);
diff --git a/src/mol-model-formats/structure/basic/atomic.ts b/src/mol-model-formats/structure/basic/atomic.ts
index 8f9cda30a..ed58a4296 100644
--- a/src/mol-model-formats/structure/basic/atomic.ts
+++ b/src/mol-model-formats/structure/basic/atomic.ts
@@ -111,13 +111,13 @@ function createChainOperatorMappingAndSubstituteNames(hierarchy: AtomicData, for
const authMap = new Map<string, string>();
for (let i = 0; i < entries._rowCount; i++) {
- const assembly: SymmetryOperator['assembly'] = entries.assembly_operator_id.valueKind(i) === Column.ValueKind.Present
+ const assembly: SymmetryOperator['assembly'] = entries.assembly_operator_id.valueKind(i) === Column.ValueKinds.Present
? { id: entries.assembly_id.value(i), operList: [], operId: entries.assembly_operator_id.value(i) }
: void 0;
const operator = SymmetryOperator.create(entries.operator_name.value(i), Mat4.identity(), {
assembly,
- spgrOp: entries.symmetry_operator_index.valueKind(i) === Column.ValueKind.Present ? entries.symmetry_operator_index.value(i) : void 0,
+ spgrOp: entries.symmetry_operator_index.valueKind(i) === Column.ValueKinds.Present ? entries.symmetry_operator_index.value(i) : void 0,
hkl: Vec3.ofArray(entries.symmetry_hkl.value(i)),
ncsId: entries.ncs_id.value(i)
});
diff --git a/src/mol-model-formats/structure/basic/parser.ts b/src/mol-model-formats/structure/basic/parser.ts
index cc1b53ffb..eca95e3a0 100644
--- a/src/mol-model-formats/structure/basic/parser.ts
+++ b/src/mol-model-formats/structure/basic/parser.ts
@@ -65,12 +65,12 @@ function createStandardModel(data: BasicData, atom_site: AtomSite, sourceIndex:
const atomicRanges = getAtomicRanges(atomic.hierarchy, entities, atomic.conformation, sequence);
const structAsymMap = getStructAsymMap(atomic.hierarchy);
- const entry = data.entry.id.valueKind(0) === Column.ValueKind.Present
+ const entry = data.entry.id.valueKind(0) === Column.ValueKinds.Present
? data.entry.id.value(0) : format.name;
const label: string[] = [];
if (entry) label.push(entry);
- if (data.struct.title.valueKind(0) === Column.ValueKind.Present) label.push(data.struct.title.value(0));
+ if (data.struct.title.valueKind(0) === Column.ValueKinds.Present) label.push(data.struct.title.value(0));
return {
id: UUID.create22(),
@@ -105,12 +105,12 @@ function createIntegrativeModel(data: BasicData, ihm: CoarseData, properties: Co
const sequence = getSequence(data, ihm.entities, atomic.hierarchy, coarse.hierarchy);
const atomicRanges = getAtomicRanges(atomic.hierarchy, ihm.entities, atomic.conformation, sequence);
- const entry = data.entry.id.valueKind(0) === Column.ValueKind.Present
+ const entry = data.entry.id.valueKind(0) === Column.ValueKinds.Present
? data.entry.id.value(0) : format.name;
const label: string[] = [];
if (entry) label.push(entry);
- if (data.struct.title.valueKind(0) === Column.ValueKind.Present) label.push(data.struct.title.value(0));
+ if (data.struct.title.valueKind(0) === Column.ValueKinds.Present) label.push(data.struct.title.value(0));
if (ihm.model_name) label.push(ihm.model_name);
if (ihm.model_group_name) label.push(ihm.model_group_name);
diff --git a/src/mol-model-formats/structure/basic/sort.ts b/src/mol-model-formats/structure/basic/sort.ts
index c5fe5cd40..3968dc277 100644
--- a/src/mol-model-formats/structure/basic/sort.ts
+++ b/src/mol-model-formats/structure/basic/sort.ts
@@ -26,7 +26,7 @@ export async function sortAtomSite(ctx: RuntimeContext, atom_site: AtomSite, sta
for (let cI = 0, _cI = chainBuckets.length - 1; cI < _cI; cI++) {
const aI = chainBuckets[cI];
// are we in HETATM territory?
- if (label_seq_id.valueKind(aI) !== Column.ValueKind.Present) continue;
+ if (label_seq_id.valueKind(aI) !== Column.ValueKinds.Present) continue;
makeBuckets(indices, label_seq_id.value, { sort: true, start: aI, end: chainBuckets[cI + 1] });
if (ctx.shouldUpdate) await ctx.update();
diff --git a/src/mol-model-formats/structure/basic/util.ts b/src/mol-model-formats/structure/basic/util.ts
index 03d028e5e..b5ea2424d 100644
--- a/src/mol-model-formats/structure/basic/util.ts
+++ b/src/mol-model-formats/structure/basic/util.ts
@@ -23,7 +23,7 @@ export function getModelGroupName(model_id: number, data: BasicData) {
function hasPresentValues(column: Column<any>) {
for (let i = 0, il = column.rowCount; i < il; i++) {
- if (column.valueKind(i) === Column.ValueKind.Present) return true;
+ if (column.valueKind(i) === Column.ValueKinds.Present) return true;
}
return false;
}
diff --git a/src/mol-model-formats/structure/property/bonds/struct_conn.ts b/src/mol-model-formats/structure/property/bonds/struct_conn.ts
index f5f38998e..135b81b68 100644
--- a/src/mol-model-formats/structure/property/bonds/struct_conn.ts
+++ b/src/mol-model-formats/structure/property/bonds/struct_conn.ts
@@ -113,7 +113,7 @@ export namespace StructConn {
const entityIds = Array.from(model.entities.data.id.toArray());
const _p = (row: number, ps: typeof p1) => {
- if (ps.label_asym_id.valueKind(row) !== Column.ValueKind.Present) return void 0;
+ if (ps.label_asym_id.valueKind(row) !== Column.ValueKinds.Present) return void 0;
const asymId = ps.label_asym_id.value(row);
const atomName = ps.label_atom_id.value(row);
// turns out "mismat" records might not have atom name value
diff --git a/src/mol-model-formats/structure/property/secondary-structure.ts b/src/mol-model-formats/structure/property/secondary-structure.ts
index 7bab0504e..9cb946a33 100644
--- a/src/mol-model-formats/structure/property/secondary-structure.ts
+++ b/src/mol-model-formats/structure/property/secondary-structure.ts
@@ -54,9 +54,9 @@ namespace ModelSecondaryStructure {
function getCoordinateType(conf: StructConf, sheetRange: StructSheetRange): CoordinateType {
if (conf._rowCount > 0) {
- if (conf.beg_label_seq_id.valueKind(0) !== Column.ValueKind.Present || conf.end_label_seq_id.valueKind(0) !== Column.ValueKind.Present) return 'auth';
+ if (conf.beg_label_seq_id.valueKind(0) !== Column.ValueKinds.Present || conf.end_label_seq_id.valueKind(0) !== Column.ValueKinds.Present) return 'auth';
} else if (sheetRange) {
- if (sheetRange.beg_label_seq_id.valueKind(0) !== Column.ValueKind.Present || sheetRange.end_label_seq_id.valueKind(0) !== Column.ValueKind.Present) return 'auth';
+ if (sheetRange.beg_label_seq_id.valueKind(0) !== Column.ValueKinds.Present || sheetRange.end_label_seq_id.valueKind(0) !== Column.ValueKinds.Present) return 'auth';
}
return 'label';
}
@@ -83,18 +83,18 @@ function addHelices(cat: StructConf, coordinates: CoordinateType, map: Secondary
const end_seq_id = coordinates === 'label' ? end_label_seq_id : end_auth_seq_id;
for (let i = 0, _i = cat._rowCount; i < _i; i++) {
- const type = SecondaryStructureType.create(pdbx_PDB_helix_class.valueKind(i) === Column.ValueKind.Present
+ const type = SecondaryStructureType.create(pdbx_PDB_helix_class.valueKind(i) === Column.ValueKinds.Present
? SecondaryStructureType.SecondaryStructurePdb[pdbx_PDB_helix_class.value(i)]
- : conf_type_id.valueKind(i) === Column.ValueKind.Present
+ : conf_type_id.valueKind(i) === Column.ValueKinds.Present
? SecondaryStructureType.SecondaryStructureMmcif[conf_type_id.value(i)]
: SecondaryStructureType.Flag.NA);
const element: SecondaryStructure.Helix = {
kind: 'helix',
flags: type,
- type_id: conf_type_id.valueKind(i) === Column.ValueKind.Present ? conf_type_id.value(i) : 'helx_p',
+ type_id: conf_type_id.valueKind(i) === Column.ValueKinds.Present ? conf_type_id.value(i) : 'helx_p',
helix_class: pdbx_PDB_helix_class.value(i),
- details: details.valueKind(i) === Column.ValueKind.Present ? details.value(i) : void 0
+ details: details.valueKind(i) === Column.ValueKinds.Present ? details.value(i) : void 0
};
const entry: SecondaryStructureEntry = {
startSeqId: beg_seq_id.value(i),
diff --git a/src/mol-model-props/computed/accessible-surface-area.ts b/src/mol-model-props/computed/accessible-surface-area.ts
index 775e18840..177ff0219 100644
--- a/src/mol-model-props/computed/accessible-surface-area.ts
+++ b/src/mol-model-props/computed/accessible-surface-area.ts
@@ -27,7 +27,7 @@ export const AccessibleSurfaceAreaSymbols = {
if (!Unit.isAtomic(ctx.element.unit)) return false;
const accessibleSurfaceArea = AccessibleSurfaceAreaProvider.get(ctx.element.structure).value;
if (!accessibleSurfaceArea) return false;
- return AccessibleSurfaceArea.getFlag(ctx.element, accessibleSurfaceArea) === AccessibleSurfaceArea.Flag.Buried;
+ return AccessibleSurfaceArea.getFlag(ctx.element, accessibleSurfaceArea) === AccessibleSurfaceArea.Flags.Buried;
}
),
isAccessible: QuerySymbolRuntime.Dynamic(CustomPropSymbol('computed', 'accessible-surface-area.is-accessible', Type.Bool),
@@ -35,7 +35,7 @@ export const AccessibleSurfaceAreaSymbols = {
if (!Unit.isAtomic(ctx.element.unit)) return false;
const accessibleSurfaceArea = AccessibleSurfaceAreaProvider.get(ctx.element.structure).value;
if (!accessibleSurfaceArea) return false;
- return AccessibleSurfaceArea.getFlag(ctx.element, accessibleSurfaceArea) === AccessibleSurfaceArea.Flag.Accessible;
+ return AccessibleSurfaceArea.getFlag(ctx.element, accessibleSurfaceArea) === AccessibleSurfaceArea.Flags.Accessible;
}
),
};
diff --git a/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts b/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts
index 6d7259c9c..c9727a796 100644
--- a/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts
+++ b/src/mol-model-props/computed/accessible-surface-area/shrake-rupley.ts
@@ -89,12 +89,19 @@ namespace AccessibleSurfaceArea {
return points;
}
- export const enum Flag {
+ export const enum Flags {
NA = 0x0,
Buried = 0x1,
Accessible = 0x2
}
+ export const Flag = {
+ NA: Flags.NA,
+ Buried: Flags.Buried,
+ Accessible: Flags.Accessible
+ } as const;
+ export type Flag = (typeof Flag)[keyof typeof Flag];
+
/** Get relative area for a given component id */
export function normalize(compId: string, asa: number) {
const maxAsa = MaxAsa[compId] || DefaultMaxAsa;
@@ -115,8 +122,8 @@ namespace AccessibleSurfaceArea {
export function getFlag(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea) {
const value = getNormalizedValue(location, accessibleSurfaceArea);
- return value === -1 ? Flag.NA :
- value < 0.16 ? Flag.Buried :
- Flag.Accessible;
+ return value === -1 ? Flags.NA :
+ value < 0.16 ? Flags.Buried :
+ Flags.Accessible;
}
}
\ No newline at end of file
diff --git a/src/mol-model-props/computed/chemistry/geometry.ts b/src/mol-model-props/computed/chemistry/geometry.ts
index 5caa0b2e9..36fa5466e 100644
--- a/src/mol-model-props/computed/chemistry/geometry.ts
+++ b/src/mol-model-props/computed/chemistry/geometry.ts
@@ -15,7 +15,7 @@ import { Elements } from '../../../mol-model/structure/model/properties/atomic/t
* Numbering mostly inline with coordination number from VSEPR,
* breaks with `SquarePlanar = 7`
*/
-export const enum AtomGeometry {
+export enum AtomGeometry {
Spherical = 0,
Terminal = 1,
Linear = 2,
diff --git a/src/mol-model-props/computed/interactions/common.ts b/src/mol-model-props/computed/interactions/common.ts
index 1a057a1d2..7f149ea29 100644
--- a/src/mol-model-props/computed/interactions/common.ts
+++ b/src/mol-model-props/computed/interactions/common.ts
@@ -118,12 +118,12 @@ namespace InteractionsInterContacts {
export type Props = { type: InteractionType, flag: InteractionFlag }
}
-export const enum InteractionFlag {
+export enum InteractionFlag {
None = 0,
Filtered = 1,
}
-export const enum InteractionType {
+export enum InteractionType {
Unknown = 0,
Ionic = 1,
CationPi = 2,
@@ -175,6 +175,24 @@ export const enum FeatureType {
IonicTypeMetal = 13
}
+// to use with isolatedModules
+export enum FeatureTypes {
+ None = FeatureType.None,
+ PositiveCharge = FeatureType.PositiveCharge,
+ NegativeCharge = FeatureType.NegativeCharge,
+ AromaticRing = FeatureType.AromaticRing,
+ HydrogenDonor = FeatureType.HydrogenDonor,
+ HydrogenAcceptor = FeatureType.HydrogenAcceptor,
+ HalogenDonor = FeatureType.HalogenDonor,
+ HalogenAcceptor = FeatureType.HalogenAcceptor,
+ HydrophobicAtom = FeatureType.HydrophobicAtom,
+ WeakHydrogenDonor = FeatureType.WeakHydrogenDonor,
+ IonicTypePartner = FeatureType.IonicTypePartner,
+ DativeBondPartner = FeatureType.DativeBondPartner,
+ TransitionMetal = FeatureType.TransitionMetal,
+ IonicTypeMetal = FeatureType.IonicTypeMetal
+}
+
export function featureTypeLabel(type: FeatureType): string {
switch (type) {
case FeatureType.None:
@@ -208,7 +226,7 @@ export function featureTypeLabel(type: FeatureType): string {
}
}
-export const enum FeatureGroup {
+export enum FeatureGroup {
None = 0,
QuaternaryAmine = 1,
TertiaryAmine = 2,
diff --git a/src/mol-model-props/sequence/sifts-mapping.ts b/src/mol-model-props/sequence/sifts-mapping.ts
index 1c28307f8..0a6036abc 100644
--- a/src/mol-model-props/sequence/sifts-mapping.ts
+++ b/src/mol-model-props/sequence/sifts-mapping.ts
@@ -90,7 +90,7 @@ namespace SIFTSMapping {
for (let i = 0; i < count; i++) {
const row = atomSourceIndex.value(residueOffsets[i]);
- if (db_name.valueKind(row) !== Column.ValueKind.Present) {
+ if (db_name.valueKind(row) !== Column.ValueKinds.Present) {
dbName[i] = '';
accession[i] = '';
num[i] = '';
diff --git a/src/mol-model/sequence/sequence.ts b/src/mol-model/sequence/sequence.ts
index e68daae6b..89c72ec26 100644
--- a/src/mol-model/sequence/sequence.ts
+++ b/src/mol-model/sequence/sequence.ts
@@ -14,7 +14,7 @@ import { assertUnreachable } from '../../mol-util/type-helpers';
type Sequence = Sequence.Protein | Sequence.DNA | Sequence.RNA | Sequence.Generic
namespace Sequence {
- export const enum Kind {
+ export enum Kind {
Protein = 'protein',
RNA = 'RNA',
DNA = 'DNA',
diff --git a/src/mol-model/structure/export/categories/atom_site_operator_mapping.ts b/src/mol-model/structure/export/categories/atom_site_operator_mapping.ts
index 11faadf08..a844972d7 100644
--- a/src/mol-model/structure/export/categories/atom_site_operator_mapping.ts
+++ b/src/mol-model/structure/export/categories/atom_site_operator_mapping.ts
@@ -41,8 +41,8 @@ export const AtomSiteOperatorMappingSchema = {
}
};
-const asmValueKind = (i: number, xs: Entry[]) => typeof xs[i].operator.assembly === 'undefined' ? Column.ValueKind.NotPresent : Column.ValueKind.Present;
-const symmetryValueKind = (i: number, xs: Entry[]) => xs[i].operator.spgrOp === -1 ? Column.ValueKind.NotPresent : Column.ValueKind.Present;
+const asmValueKind = (i: number, xs: Entry[]) => typeof xs[i].operator.assembly === 'undefined' ? Column.ValueKinds.NotPresent : Column.ValueKinds.Present;
+const symmetryValueKind = (i: number, xs: Entry[]) => xs[i].operator.spgrOp === -1 ? Column.ValueKinds.NotPresent : Column.ValueKinds.Present;
const Fields = CifWriter.fields<number, Entry[], keyof (typeof AtomSiteOperatorMappingSchema)['molstar_atom_site_operator_mapping']>()
.str('label_asym_id', (i, xs) => xs[i].label_asym_id)
diff --git a/src/mol-model/structure/export/categories/secondary-structure.ts b/src/mol-model/structure/export/categories/secondary-structure.ts
index da330f9e4..ef592c16e 100644
--- a/src/mol-model/structure/export/categories/secondary-structure.ts
+++ b/src/mol-model/structure/export/categories/secondary-structure.ts
@@ -49,7 +49,7 @@ const struct_conf_fields = (): CifField[] => [
...residueIdFields<number, SSElement<SecondaryStructure.Helix>[]>((i, e) => e[i].end, { prefix: 'end' }),
CifField.str<number, SSElement<SecondaryStructure.Helix>[]>('pdbx_PDB_helix_class', (i, data) => data[i].element.helix_class),
CifField.str<number, SSElement<SecondaryStructure.Helix>[]>('details', (i, data) => data[i].element.details || '', {
- valueKind: (i, d) => !!d[i].element.details ? Column.ValueKind.Present : Column.ValueKind.Unknown
+ valueKind: (i, d) => !!d[i].element.details ? Column.ValueKinds.Present : Column.ValueKinds.Unknown
}),
CifField.int<number, SSElement<SecondaryStructure.Helix>[]>('pdbx_PDB_helix_length', (i, data) => data[i].length)
];
@@ -59,7 +59,7 @@ const struct_sheet_range_fields = (): CifField[] => [
CifField.index('id'),
...residueIdFields<number, SSElement<SecondaryStructure.Sheet>[]>((i, e) => e[i].start, { prefix: 'beg' }),
...residueIdFields<number, SSElement<SecondaryStructure.Sheet>[]>((i, e) => e[i].end, { prefix: 'end' }),
- CifField.str('symmetry', (i, data) => '', { valueKind: (i, d) => Column.ValueKind.Unknown })
+ CifField.str('symmetry', (i, data) => '', { valueKind: (i, d) => Column.ValueKinds.Unknown })
];
interface SSElement<T extends SecondaryStructure.Element> {
diff --git a/src/mol-model/structure/model/model.ts b/src/mol-model/structure/model/model.ts
index 76e9c4077..206d98f91 100644
--- a/src/mol-model/structure/model/model.ts
+++ b/src/mol-model/structure/model/model.ts
@@ -415,7 +415,7 @@ export namespace Model {
!db.exptl.method.isDefined ||
(isFromXray(model) && (
!db.pdbx_database_status.status_code_sf.isDefined ||
- db.pdbx_database_status.status_code_sf.valueKind(0) === Column.ValueKind.Unknown
+ db.pdbx_database_status.status_code_sf.valueKind(0) === Column.ValueKinds.Unknown
)) ||
(isFromEm(model) && (
!db.pdbx_database_related.db_name.isDefined
diff --git a/src/mol-model/structure/model/types.ts b/src/mol-model/structure/model/types.ts
index 9795bdb62..2643c4d8f 100644
--- a/src/mol-model/structure/model/types.ts
+++ b/src/mol-model/structure/model/types.ts
@@ -47,7 +47,7 @@ export function getElementFromAtomicNumber(n: number) {
}
/** Entity types as defined in the mmCIF dictionary */
-export const enum EntityType {
+export enum EntityType {
'unknown', 'polymer', 'non-polymer', 'macrolide', 'water', 'branched'
}
diff --git a/src/mol-model/structure/query/utils/structure-distance.ts b/src/mol-model/structure/query/utils/structure-distance.ts
index 9e3b83378..fbe7e083e 100644
--- a/src/mol-model/structure/query/utils/structure-distance.ts
+++ b/src/mol-model/structure/query/utils/structure-distance.ts
@@ -23,7 +23,7 @@ export function checkStructureMaxRadiusDistance(ctx: QueryContext, a: Structure,
}
namespace MinMaxDist {
- export const enum Result {
+ const enum Result {
BelowMin,
WithinMax,
Miss
@@ -44,7 +44,7 @@ namespace MinMaxDist {
return withinRange ? Result.WithinMax : Result.Miss;
}
- export function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
+ function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, minDist: number, maxDist: number, elementRadius: QueryFn<number>) {
const { units } = s;
let withinRange = false;
for (let i = 0, _i = units.length; i < _i; i++) {
@@ -70,7 +70,7 @@ namespace MinMaxDist {
const e = elements[i];
ctx.element.element = e;
const tp = toPoint(ctx, b, position(e, distPivot), elementRadius(ctx), minDist, maxDist, elementRadius);
- if (tp === Result.BelowMin) return Result.BelowMin;
+ if (tp === Result.BelowMin) return false;
if (tp === Result.WithinMax) withinRange = true;
}
}
@@ -91,7 +91,7 @@ namespace MaxRadiusDist {
return false;
}
- export function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, maxDist: number, elementRadius: QueryFn<number>) {
+ function toPoint(ctx: QueryContext, s: Structure, point: Vec3, radius: number, maxDist: number, elementRadius: QueryFn<number>) {
const { units } = s;
for (let i = 0, _i = units.length; i < _i; i++) {
if (inUnit(ctx, units[i], point, radius, maxDist, elementRadius)) return true;
diff --git a/src/mol-model/structure/structure/carbohydrates/constants.ts b/src/mol-model/structure/structure/carbohydrates/constants.ts
index aeb5fd82a..b85835115 100644
--- a/src/mol-model/structure/structure/carbohydrates/constants.ts
+++ b/src/mol-model/structure/structure/carbohydrates/constants.ts
@@ -10,7 +10,7 @@ import { SaccharideNames } from '../../model/types/saccharides';
// follows community standard from https://www.ncbi.nlm.nih.gov/glycans/snfg.html
-export const enum SaccharideShape {
+export enum SaccharideShape {
// standard shapes
FilledSphere, FilledCube, CrossedCube, DividedDiamond, FilledCone, DevidedCone,
FlatBox, FilledStar, FilledDiamond, FlatDiamond, FlatHexagon, Pentagon,
@@ -33,7 +33,7 @@ export const SaccharideColors = ColorMap({
Secondary: 0xf1ece1
});
-export const enum SaccharideType {
+export enum SaccharideType {
Hexose, HexNAc, Hexosamine, Hexuronate, Deoxyhexose, DeoxyhexNAc, DiDeoxyhexose,
Pentose, Deoxynonulosonate, DiDeoxynonulosonate, Unknown, Assigned
}
diff --git a/src/mol-model/structure/structure/unit.ts b/src/mol-model/structure/structure/unit.ts
index 8d64234ad..b6c8fc172 100644
--- a/src/mol-model/structure/structure/unit.ts
+++ b/src/mol-model/structure/structure/unit.ts
@@ -36,6 +36,9 @@ type Unit = Unit.Atomic | Unit.Spheres | Unit.Gaussians
namespace Unit {
export const enum Kind { Atomic, Spheres, Gaussians }
+ // To use with isolatedModules
+ export enum Kinds { Atomic = Kind.Atomic, Spheres = Kind.Spheres, Gaussians = Kind.Gaussians }
+
export function isAtomic(u: Unit): u is Atomic { return u.kind === Kind.Atomic; }
export function isCoarse(u: Unit): u is Spheres | Gaussians { return u.kind === Kind.Spheres || u.kind === Kind.Gaussians; }
export function isSpheres(u: Unit): u is Spheres { return u.kind === Kind.Spheres; }
@@ -122,7 +125,7 @@ namespace Unit {
}
export type Traits = BitFlags<Trait>
- export const enum Trait {
+ export enum Trait {
None = 0x0,
MultiChain = 0x1,
Partitioned = 0x2
diff --git a/src/mol-theme/clipping.ts b/src/mol-theme/clipping.ts
index 04dd03558..bbb22aea3 100644
--- a/src/mol-theme/clipping.ts
+++ b/src/mol-theme/clipping.ts
@@ -26,7 +26,7 @@ namespace Clipping {
export type Groups = BitFlags<Groups.Flag>
export namespace Groups {
export const is: (g: Groups, f: Flag) => boolean = BitFlags.has;
- export const enum Flag {
+ export enum Flag {
None = 0x0,
One = 0x1,
Two = 0x2,
diff --git a/src/mol-theme/color.ts b/src/mol-theme/color.ts
index 90de9ea13..ff40261e1 100644
--- a/src/mol-theme/color.ts
+++ b/src/mol-theme/color.ts
@@ -42,6 +42,7 @@ import { ModelIndexColorThemeProvider } from './color/model-index';
import { StructureIndexColorThemeProvider } from './color/structure-index';
import { VolumeSegmentColorThemeProvider } from './color/volume-segment';
import { ExternalVolumeColorThemeProvider } from './color/external-volume';
+import { ColorThemeCategory } from './color/categories';
export type LocationColor = (location: Location, isSecondary: boolean) => Color
@@ -87,14 +88,7 @@ type ColorTheme<P extends PD.Params, G extends ColorType = ColorTypeLocation> =
G extends ColorTypeDirect ? ColorThemeDirect<P> : never
namespace ColorTheme {
- export const enum Category {
- Atom = 'Atom Property',
- Chain = 'Chain Property',
- Residue = 'Residue Property',
- Symmetry = 'Symmetry',
- Validation = 'Validation',
- Misc = 'Miscellaneous',
- }
+ export const Category = ColorThemeCategory;
export interface Palette {
filter?: TextureFilter,
diff --git a/src/mol-theme/color/atom-id.ts b/src/mol-theme/color/atom-id.ts
index 6a44911a0..b40569d6e 100644
--- a/src/mol-theme/color/atom-id.ts
+++ b/src/mol-theme/color/atom-id.ts
@@ -7,11 +7,12 @@
import { StructureProperties, StructureElement, Bond, Structure } from '../../mol-model/structure';
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'many-distinct';
const DefaultColor = Color(0xFAFAFA);
@@ -83,7 +84,7 @@ export function AtomIdColorTheme(ctx: ThemeDataContext, props: PD.Values<AtomIdC
export const AtomIdColorThemeProvider: ColorTheme.Provider<AtomIdColorThemeParams, 'atom-id'> = {
name: 'atom-id',
label: 'Atom Id',
- category: ColorTheme.Category.Atom,
+ category: ColorThemeCategory.Atom,
factory: AtomIdColorTheme,
getParams: getAtomIdColorThemeParams,
defaultValues: PD.getDefaultValues(AtomIdColorThemeParams),
diff --git a/src/mol-theme/color/carbohydrate-symbol.ts b/src/mol-theme/color/carbohydrate-symbol.ts
index 928b78500..ff615b21e 100644
--- a/src/mol-theme/color/carbohydrate-symbol.ts
+++ b/src/mol-theme/color/carbohydrate-symbol.ts
@@ -7,11 +7,12 @@
import { StructureElement, Bond, ElementIndex, Unit, Model } from '../../mol-model/structure';
import { SaccharideColors, MonosaccharidesColorTable } from '../../mol-model/structure/structure/carbohydrates/constants';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { Color } from '../../mol-util/color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { TableLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Assigns colors according to the Symbol Nomenclature for Glycans (SNFG).';
@@ -63,7 +64,7 @@ export function CarbohydrateSymbolColorTheme(ctx: ThemeDataContext, props: PD.Va
export const CarbohydrateSymbolColorThemeProvider: ColorTheme.Provider<CarbohydrateSymbolColorThemeParams, 'carbohydrate-symbol'> = {
name: 'carbohydrate-symbol',
label: 'Carbohydrate Symbol',
- category: ColorTheme.Category.Residue,
+ category: ColorThemeCategory.Residue,
factory: CarbohydrateSymbolColorTheme,
getParams: getCarbohydrateSymbolColorThemeParams,
defaultValues: PD.getDefaultValues(CarbohydrateSymbolColorThemeParams),
diff --git a/src/mol-theme/color/categories.ts b/src/mol-theme/color/categories.ts
new file mode 100644
index 000000000..9c23cbf22
--- /dev/null
+++ b/src/mol-theme/color/categories.ts
@@ -0,0 +1,14 @@
+/**
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+export const ColorThemeCategory = {
+ Atom: 'Atom Property',
+ Chain: 'Chain Property',
+ Residue: 'Residue Property',
+ Symmetry: 'Symmetry',
+ Validation: 'Validation',
+ Misc: 'Miscellaneous',
+};
\ No newline at end of file
diff --git a/src/mol-theme/color/chain-id.ts b/src/mol-theme/color/chain-id.ts
index 936a67c6b..0797e7e74 100644
--- a/src/mol-theme/color/chain-id.ts
+++ b/src/mol-theme/color/chain-id.ts
@@ -7,11 +7,12 @@
import { Unit, StructureProperties, StructureElement, Bond, Structure, Model } from '../../mol-model/structure';
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'many-distinct';
const DefaultColor = Color(0xFAFAFA);
@@ -119,7 +120,7 @@ export function ChainIdColorTheme(ctx: ThemeDataContext, props: PD.Values<ChainI
export const ChainIdColorThemeProvider: ColorTheme.Provider<ChainIdColorThemeParams, 'chain-id'> = {
name: 'chain-id',
label: 'Chain Id',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: ChainIdColorTheme,
getParams: getChainIdColorThemeParams,
defaultValues: PD.getDefaultValues(ChainIdColorThemeParams),
diff --git a/src/mol-theme/color/element-index.ts b/src/mol-theme/color/element-index.ts
index 21118f9cd..cd6b06fdd 100644
--- a/src/mol-theme/color/element-index.ts
+++ b/src/mol-theme/color/element-index.ts
@@ -8,11 +8,12 @@ import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
import { StructureElement, Bond } from '../../mol-model/structure';
import { OrderedSet } from '../../mol-data/int';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every element (atom or coarse sphere/gaussian) a unique color based on the position (index) of the element in the list of elements in the structure.';
@@ -75,7 +76,7 @@ export function ElementIndexColorTheme(ctx: ThemeDataContext, props: PD.Values<E
export const ElementIndexColorThemeProvider: ColorTheme.Provider<ElementIndexColorThemeParams, 'element-index'> = {
name: 'element-index',
label: 'Element Index',
- category: ColorTheme.Category.Atom,
+ category: ColorThemeCategory.Atom,
factory: ElementIndexColorTheme,
getParams: getElementIndexColorThemeParams,
defaultValues: PD.getDefaultValues(ElementIndexColorThemeParams),
diff --git a/src/mol-theme/color/element-symbol.ts b/src/mol-theme/color/element-symbol.ts
index a466848df..29d49ad9d 100644
--- a/src/mol-theme/color/element-symbol.ts
+++ b/src/mol-theme/color/element-symbol.ts
@@ -8,7 +8,7 @@ import { ElementSymbol } from '../../mol-model/structure/model/types';
import { Color, ColorMap } from '../../mol-util/color';
import { StructureElement, Unit, Bond } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { TableLegend } from '../../mol-util/legend';
@@ -21,6 +21,7 @@ import { assertUnreachable } from '../../mol-util/type-helpers';
import { EntitySourceColorTheme, EntitySourceColorThemeParams } from './entity-source';
import { ModelIndexColorTheme, ModelIndexColorThemeParams } from './model-index';
import { StructureIndexColorTheme, StructureIndexColorThemeParams } from './structure-index';
+import { ColorThemeCategory } from './categories';
// from Jmol http://jmol.sourceforge.net/jscolors/ (or 0xFFFFFF)
export const ElementSymbolColors = ColorMap({
@@ -112,7 +113,7 @@ export function ElementSymbolColorTheme(ctx: ThemeDataContext, props: PD.Values<
export const ElementSymbolColorThemeProvider: ColorTheme.Provider<ElementSymbolColorThemeParams, 'element-symbol'> = {
name: 'element-symbol',
label: 'Element Symbol',
- category: ColorTheme.Category.Atom,
+ category: ColorThemeCategory.Atom,
factory: ElementSymbolColorTheme,
getParams: getElementSymbolColorThemeParams,
defaultValues: PD.getDefaultValues(ElementSymbolColorThemeParams),
diff --git a/src/mol-theme/color/entity-id.ts b/src/mol-theme/color/entity-id.ts
index 2a89b5523..3c8dcde14 100644
--- a/src/mol-theme/color/entity-id.ts
+++ b/src/mol-theme/color/entity-id.ts
@@ -7,11 +7,12 @@
import { StructureProperties, StructureElement, Bond, Structure, Unit } from '../../mol-model/structure';
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'many-distinct';
const DefaultColor = Color(0xFAFAFA);
@@ -113,7 +114,7 @@ export function EntityIdColorTheme(ctx: ThemeDataContext, props: PD.Values<Entit
export const EntityIdColorThemeProvider: ColorTheme.Provider<EntityIdColorThemeParams, 'entity-id'> = {
name: 'entity-id',
label: 'Entity Id',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: EntityIdColorTheme,
getParams: getEntityIdColorThemeParams,
defaultValues: PD.getDefaultValues(EntityIdColorThemeParams),
diff --git a/src/mol-theme/color/entity-source.ts b/src/mol-theme/color/entity-source.ts
index cb136024a..d6638e679 100644
--- a/src/mol-theme/color/entity-source.ts
+++ b/src/mol-theme/color/entity-source.ts
@@ -7,7 +7,7 @@
import { StructureProperties, StructureElement, Bond, Model } from '../../mol-model/structure';
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { Table, Column } from '../../mol-data/db';
@@ -17,6 +17,7 @@ import { TableLegend, ScaleLegend } from '../../mol-util/legend';
import { isInteger } from '../../mol-util/number';
import { ColorLists, getColorListFromName } from '../../mol-util/color/lists';
import { MmcifFormat } from '../../mol-model-formats/structure/mmcif';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'dark-2';
const DefaultColor = Color(0xFAFAFA);
@@ -78,8 +79,8 @@ function addSrc(seqToSrcByModelEntity: Map<string, Int16Array>, srcKeySerialMap:
const sK = srcKey(modelIndex, entityId, scientific_name.value(j), pdbx_src_id.value(j), plasmid, gene);
// may not be given (= 0) indicating src is for the whole seq
- const beg = pdbx_beg_seq_num.valueKind(j) === Column.ValueKind.Present ? pdbx_beg_seq_num.value(j) : 1;
- const end = pdbx_end_seq_num.valueKind(j) === Column.ValueKind.Present ? pdbx_end_seq_num.value(j) : seqToSrc.length;
+ const beg = pdbx_beg_seq_num.valueKind(j) === Column.ValueKinds.Present ? pdbx_beg_seq_num.value(j) : 1;
+ const end = pdbx_end_seq_num.valueKind(j) === Column.ValueKinds.Present ? pdbx_end_seq_num.value(j) : seqToSrc.length;
let srcIndex: number; // serial no starting from 1
if (srcKeySerialMap.has(sK)) {
@@ -178,7 +179,7 @@ export function EntitySourceColorTheme(ctx: ThemeDataContext, props: PD.Values<E
export const EntitySourceColorThemeProvider: ColorTheme.Provider<EntitySourceColorThemeParams, 'entity-source'> = {
name: 'entity-source',
label: 'Entity Source',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: EntitySourceColorTheme,
getParams: getEntitySourceColorThemeParams,
defaultValues: PD.getDefaultValues(EntitySourceColorThemeParams),
diff --git a/src/mol-theme/color/external-volume.ts b/src/mol-theme/color/external-volume.ts
index 43fce54d9..5b9ac1624 100644
--- a/src/mol-theme/color/external-volume.ts
+++ b/src/mol-theme/color/external-volume.ts
@@ -6,7 +6,7 @@
import { Color, ColorScale } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { Grid, Volume } from '../../mol-model/volume';
@@ -14,6 +14,7 @@ import { type PluginContext } from '../../mol-plugin/context';
import { isPositionLocation } from '../../mol-geo/util/location-iterator';
import { Mat4, Vec3 } from '../../mol-math/linear-algebra';
import { lerp } from '../../mol-math/interpolate';
+import { ColorThemeCategory } from './categories';
const Description = `Assigns a color based volume value at a given vertex.`;
@@ -151,7 +152,7 @@ export function ExternalVolumeColorTheme(ctx: ThemeDataContext, props: PD.Values
export const ExternalVolumeColorThemeProvider: ColorTheme.Provider<ExternalVolumeColorThemeParams, 'external-volume'> = {
name: 'external-volume',
label: 'External Volume',
- category: ColorTheme.Category.Misc,
+ category: ColorThemeCategory.Misc,
factory: ExternalVolumeColorTheme,
getParams: () => ExternalVolumeColorThemeParams,
defaultValues: PD.getDefaultValues(ExternalVolumeColorThemeParams),
diff --git a/src/mol-theme/color/hydrophobicity.ts b/src/mol-theme/color/hydrophobicity.ts
index 40484ca75..3feb165ef 100644
--- a/src/mol-theme/color/hydrophobicity.ts
+++ b/src/mol-theme/color/hydrophobicity.ts
@@ -7,10 +7,11 @@
import { Color, ColorScale } from '../../mol-util/color';
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { ResidueHydrophobicity } from '../../mol-model/structure/model/types';
+import { ColorThemeCategory } from './categories';
const Description = 'Assigns a color to every amino acid according to the "Experimentally determined hydrophobicity scale for proteins at membrane interfaces" by Wimely and White (doi:10.1038/nsb1096-842).';
@@ -95,7 +96,7 @@ export function HydrophobicityColorTheme(ctx: ThemeDataContext, props: PD.Values
export const HydrophobicityColorThemeProvider: ColorTheme.Provider<HydrophobicityColorThemeParams, 'hydrophobicity'> = {
name: 'hydrophobicity',
label: 'Hydrophobicity',
- category: ColorTheme.Category.Residue,
+ category: ColorThemeCategory.Residue,
factory: HydrophobicityColorTheme,
getParams: getHydrophobicityColorThemeParams,
defaultValues: PD.getDefaultValues(HydrophobicityColorThemeParams),
diff --git a/src/mol-theme/color/illustrative.ts b/src/mol-theme/color/illustrative.ts
index 18510ef68..b364e4d89 100644
--- a/src/mol-theme/color/illustrative.ts
+++ b/src/mol-theme/color/illustrative.ts
@@ -8,7 +8,7 @@ import { ElementSymbol } from '../../mol-model/structure/model/types';
import { Color } from '../../mol-util/color';
import { StructureElement, Unit, Bond } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { ChainIdColorTheme, ChainIdColorThemeParams } from './chain-id';
@@ -19,6 +19,7 @@ import { MoleculeTypeColorTheme, MoleculeTypeColorThemeParams } from './molecule
import { EntitySourceColorTheme, EntitySourceColorThemeParams } from './entity-source';
import { ModelIndexColorTheme, ModelIndexColorThemeParams } from './model-index';
import { StructureIndexColorTheme, StructureIndexColorThemeParams } from './structure-index';
+import { ColorThemeCategory } from './categories';
const DefaultIllustrativeColor = Color(0xEEEEEE);
const Description = `Assigns an illustrative color that gives every chain a color based on the chosen style but with lighter carbons (inspired by David Goodsell's Molecule of the Month style).`;
@@ -83,7 +84,7 @@ export function IllustrativeColorTheme(ctx: ThemeDataContext, props: PD.Values<I
export const IllustrativeColorThemeProvider: ColorTheme.Provider<IllustrativeColorThemeParams, 'illustrative'> = {
name: 'illustrative',
label: 'Illustrative',
- category: ColorTheme.Category.Misc,
+ category: ColorThemeCategory.Misc,
factory: IllustrativeColorTheme,
getParams: getIllustrativeColorThemeParams,
defaultValues: PD.getDefaultValues(IllustrativeColorThemeParams),
diff --git a/src/mol-theme/color/model-index.ts b/src/mol-theme/color/model-index.ts
index cbdfd683f..457aee9b5 100644
--- a/src/mol-theme/color/model-index.ts
+++ b/src/mol-theme/color/model-index.ts
@@ -8,11 +8,12 @@
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
import { StructureElement, Bond, Model } from '../../mol-model/structure';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every model a unique color based on its index.';
@@ -61,7 +62,7 @@ export function ModelIndexColorTheme(ctx: ThemeDataContext, props: PD.Values<Mod
export const ModelIndexColorThemeProvider: ColorTheme.Provider<ModelIndexColorThemeParams, 'model-index'> = {
name: 'model-index',
label: 'Model Index',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: ModelIndexColorTheme,
getParams: getModelIndexColorThemeParams,
defaultValues: PD.getDefaultValues(ModelIndexColorThemeParams),
diff --git a/src/mol-theme/color/molecule-type.ts b/src/mol-theme/color/molecule-type.ts
index 723e5734c..75953becf 100644
--- a/src/mol-theme/color/molecule-type.ts
+++ b/src/mol-theme/color/molecule-type.ts
@@ -7,7 +7,7 @@
import { Color, ColorMap } from '../../mol-util/color';
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { MoleculeType } from '../../mol-model/structure/model/types';
import { getElementMoleculeType } from '../../mol-model/structure/util';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
@@ -15,6 +15,7 @@ import { ThemeDataContext } from '../theme';
import { TableLegend } from '../../mol-util/legend';
import { getAdjustedColorMap } from '../../mol-util/color/color';
import { getColorMapParams } from '../../mol-util/color/params';
+import { ColorThemeCategory } from './categories';
export const MoleculeTypeColors = ColorMap({
water: 0x386cb0,
@@ -84,7 +85,7 @@ export function MoleculeTypeColorTheme(ctx: ThemeDataContext, props: PD.Values<M
export const MoleculeTypeColorThemeProvider: ColorTheme.Provider<MoleculeTypeColorThemeParams, 'molecule-type'> = {
name: 'molecule-type',
label: 'Molecule Type',
- category: ColorTheme.Category.Residue,
+ category: ColorThemeCategory.Residue,
factory: MoleculeTypeColorTheme,
getParams: getMoleculeTypeColorThemeParams,
defaultValues: PD.getDefaultValues(MoleculeTypeColorThemeParams),
diff --git a/src/mol-theme/color/occupancy.ts b/src/mol-theme/color/occupancy.ts
index a00f434a7..26ed6f4ad 100644
--- a/src/mol-theme/color/occupancy.ts
+++ b/src/mol-theme/color/occupancy.ts
@@ -7,9 +7,10 @@
import { Color, ColorScale } from '../../mol-util/color';
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
+import { ColorThemeCategory } from './categories';
const DefaultOccupancyColor = Color(0xCCCCCC);
const Description = `Assigns a color based on the occupancy of an atom.`;
@@ -61,7 +62,7 @@ export function OccupancyColorTheme(ctx: ThemeDataContext, props: PD.Values<Occu
export const OccupancyColorThemeProvider: ColorTheme.Provider<OccupancyColorThemeParams, 'occupancy'> = {
name: 'occupancy',
label: 'Occupancy',
- category: ColorTheme.Category.Atom,
+ category: ColorThemeCategory.Atom,
factory: OccupancyColorTheme,
getParams: getOccupancyColorThemeParams,
defaultValues: PD.getDefaultValues(OccupancyColorThemeParams),
diff --git a/src/mol-theme/color/operator-hkl.ts b/src/mol-theme/color/operator-hkl.ts
index 3062dfc2f..0c8e3d13a 100644
--- a/src/mol-theme/color/operator-hkl.ts
+++ b/src/mol-theme/color/operator-hkl.ts
@@ -7,7 +7,7 @@
import { Color } from '../../mol-util/color';
import { StructureElement, Bond, Structure } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
@@ -15,6 +15,7 @@ import { ScaleLegend, TableLegend } from '../../mol-util/legend';
import { Vec3 } from '../../mol-math/linear-algebra';
import { integerDigitCount } from '../../mol-util/number';
import { ColorLists, getColorListFromName } from '../../mol-util/color/lists';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'dark-2';
const DefaultColor = Color(0xCCCCCC);
@@ -122,7 +123,7 @@ export function OperatorHklColorTheme(ctx: ThemeDataContext, props: PD.Values<Op
export const OperatorHklColorThemeProvider: ColorTheme.Provider<OperatorHklColorThemeParams, 'operator-hkl'> = {
name: 'operator-hkl',
label: 'Operator HKL',
- category: ColorTheme.Category.Symmetry,
+ category: ColorThemeCategory.Symmetry,
factory: OperatorHklColorTheme,
getParams: getOperatorHklColorThemeParams,
defaultValues: PD.getDefaultValues(OperatorHklColorThemeParams),
diff --git a/src/mol-theme/color/operator-name.ts b/src/mol-theme/color/operator-name.ts
index f77e5b0c2..cc793c2fe 100644
--- a/src/mol-theme/color/operator-name.ts
+++ b/src/mol-theme/color/operator-name.ts
@@ -7,11 +7,12 @@
import { Color } from '../../mol-util/color';
import { StructureElement, Bond, Structure } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { ScaleLegend, TableLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'many-distinct';
const DefaultColor = Color(0xCCCCCC);
@@ -76,7 +77,7 @@ export function OperatorNameColorTheme(ctx: ThemeDataContext, props: PD.Values<O
export const OperatorNameColorThemeProvider: ColorTheme.Provider<OperatorNameColorThemeParams, 'operator-name'> = {
name: 'operator-name',
label: 'Operator Name',
- category: ColorTheme.Category.Symmetry,
+ category: ColorThemeCategory.Symmetry,
factory: OperatorNameColorTheme,
getParams: getOperatorNameColorThemeParams,
defaultValues: PD.getDefaultValues(OperatorNameColorThemeParams),
diff --git a/src/mol-theme/color/partial-charge.ts b/src/mol-theme/color/partial-charge.ts
index 6baadd9ee..eff097b13 100644
--- a/src/mol-theme/color/partial-charge.ts
+++ b/src/mol-theme/color/partial-charge.ts
@@ -7,10 +7,11 @@
import { Color, ColorScale } from '../../mol-util/color';
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { AtomPartialCharge } from '../../mol-model-formats/structure/property/partial-charge';
+import { ColorThemeCategory } from './categories';
const DefaultPartialChargeColor = Color(0xffff99);
const Description = `Assigns a color based on the partial charge of an atom.`;
@@ -59,7 +60,7 @@ export function PartialChargeColorTheme(ctx: ThemeDataContext, props: PD.Values<
export const PartialChargeColorThemeProvider: ColorTheme.Provider<PartialChargeColorThemeParams, 'partial-charge'> = {
name: 'partial-charge',
label: 'Partial Charge',
- category: ColorTheme.Category.Atom,
+ category: ColorThemeCategory.Atom,
factory: PartialChargeColorTheme,
getParams: getPartialChargeColorThemeParams,
defaultValues: PD.getDefaultValues(PartialChargeColorThemeParams),
diff --git a/src/mol-theme/color/polymer-id.ts b/src/mol-theme/color/polymer-id.ts
index 1bbe42baf..3392bef34 100644
--- a/src/mol-theme/color/polymer-id.ts
+++ b/src/mol-theme/color/polymer-id.ts
@@ -8,13 +8,14 @@ import { Unit, StructureProperties, StructureElement, Bond, Structure } from '..
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPalette, getPaletteParams } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
import { Segmentation } from '../../mol-data/int';
import { ColorLists, getColorListFromName } from '../../mol-util/color/lists';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'dark-2';
const DefaultColor = Color(0xFAFAFA);
@@ -129,7 +130,7 @@ export function PolymerIdColorTheme(ctx: ThemeDataContext, props: PD.Values<Poly
export const PolymerIdColorThemeProvider: ColorTheme.Provider<PolymerIdColorThemeParams, 'polymer-id'> = {
name: 'polymer-id',
label: 'Polymer Chain Id',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: PolymerIdColorTheme,
getParams: getPolymerIdColorThemeParams,
defaultValues: PD.getDefaultValues(PolymerIdColorThemeParams),
diff --git a/src/mol-theme/color/polymer-index.ts b/src/mol-theme/color/polymer-index.ts
index aaf23e153..8655aaf39 100644
--- a/src/mol-theme/color/polymer-index.ts
+++ b/src/mol-theme/color/polymer-index.ts
@@ -7,12 +7,13 @@
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
import { StructureElement, Bond, Structure } from '../../mol-model/structure';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { ColorLists, getColorListFromName } from '../../mol-util/color/lists';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'dark-2';
const DefaultColor = Color(0xCCCCCC);
@@ -89,7 +90,7 @@ export function PolymerIndexColorTheme(ctx: ThemeDataContext, props: PD.Values<P
export const PolymerIndexColorThemeProvider: ColorTheme.Provider<PolymerIndexColorThemeParams, 'polymer-index'> = {
name: 'polymer-index',
label: 'Polymer Chain Instance',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: PolymerIndexColorTheme,
getParams: getPolymerIndexColorThemeParams,
defaultValues: PD.getDefaultValues(PolymerIndexColorThemeParams),
diff --git a/src/mol-theme/color/residue-name.ts b/src/mol-theme/color/residue-name.ts
index 57e981248..d43b88073 100644
--- a/src/mol-theme/color/residue-name.ts
+++ b/src/mol-theme/color/residue-name.ts
@@ -7,12 +7,13 @@
import { Color, ColorMap } from '../../mol-util/color';
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { TableLegend } from '../../mol-util/legend';
import { getAdjustedColorMap } from '../../mol-util/color/color';
import { getColorMapParams } from '../../mol-util/color/params';
+import { ColorThemeCategory } from './categories';
// protein colors from Jmol http://jmol.sourceforge.net/jscolors/
export const ResidueNameColors = ColorMap({
@@ -137,7 +138,7 @@ export function ResidueNameColorTheme(ctx: ThemeDataContext, props: PD.Values<Re
export const ResidueNameColorThemeProvider: ColorTheme.Provider<ResidueNameColorThemeParams, 'residue-name'> = {
name: 'residue-name',
label: 'Residue Name',
- category: ColorTheme.Category.Residue,
+ category: ColorThemeCategory.Residue,
factory: ResidueNameColorTheme,
getParams: getResidueNameColorThemeParams,
defaultValues: PD.getDefaultValues(ResidueNameColorThemeParams),
diff --git a/src/mol-theme/color/secondary-structure.ts b/src/mol-theme/color/secondary-structure.ts
index 5a3734fa4..0a61cef08 100644
--- a/src/mol-theme/color/secondary-structure.ts
+++ b/src/mol-theme/color/secondary-structure.ts
@@ -7,7 +7,7 @@
import { Color, ColorMap } from '../../mol-util/color';
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { SecondaryStructureType, MoleculeType } from '../../mol-model/structure/model/types';
import { getElementMoleculeType } from '../../mol-model/structure/util';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
@@ -18,6 +18,7 @@ import { getAdjustedColorMap } from '../../mol-util/color/color';
import { getColorMapParams } from '../../mol-util/color/params';
import { CustomProperty } from '../../mol-model-props/common/custom-property';
import { hash2 } from '../../mol-data/util';
+import { ColorThemeCategory } from './categories';
// from Jmol http://jmol.sourceforge.net/jscolors/ (shapely)
const SecondaryStructureColors = ColorMap({
@@ -121,7 +122,7 @@ export function SecondaryStructureColorTheme(ctx: ThemeDataContext, props: PD.Va
export const SecondaryStructureColorThemeProvider: ColorTheme.Provider<SecondaryStructureColorThemeParams, 'secondary-structure'> = {
name: 'secondary-structure',
label: 'Secondary Structure',
- category: ColorTheme.Category.Residue,
+ category: ColorThemeCategory.Residue,
factory: SecondaryStructureColorTheme,
getParams: getSecondaryStructureColorThemeParams,
defaultValues: PD.getDefaultValues(SecondaryStructureColorThemeParams),
diff --git a/src/mol-theme/color/sequence-id.ts b/src/mol-theme/color/sequence-id.ts
index 01c3b347f..72389efe1 100644
--- a/src/mol-theme/color/sequence-id.ts
+++ b/src/mol-theme/color/sequence-id.ts
@@ -8,9 +8,10 @@ import { Unit, StructureElement, Bond, ElementIndex } from '../../mol-model/stru
import { ColorScale, Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every polymer residue a color based on its `seq_id` value.';
@@ -113,7 +114,7 @@ export function SequenceIdColorTheme(ctx: ThemeDataContext, props: PD.Values<Seq
export const SequenceIdColorThemeProvider: ColorTheme.Provider<SequenceIdColorThemeParams, 'sequence-id'> = {
name: 'sequence-id',
label: 'Sequence Id',
- category: ColorTheme.Category.Residue,
+ category: ColorThemeCategory.Residue,
factory: SequenceIdColorTheme,
getParams: getSequenceIdColorThemeParams,
defaultValues: PD.getDefaultValues(SequenceIdColorThemeParams),
diff --git a/src/mol-theme/color/shape-group.ts b/src/mol-theme/color/shape-group.ts
index 68d1b840a..ba4b17144 100644
--- a/src/mol-theme/color/shape-group.ts
+++ b/src/mol-theme/color/shape-group.ts
@@ -4,12 +4,13 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
import { ShapeGroup } from '../../mol-model/shape';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Assigns colors as defined by the shape object.';
@@ -38,7 +39,7 @@ export function ShapeGroupColorTheme(ctx: ThemeDataContext, props: PD.Values<Sha
export const ShapeGroupColorThemeProvider: ColorTheme.Provider<ShapeGroupColorThemeParams, 'shape-group'> = {
name: 'shape-group',
label: 'Shape Group',
- category: ColorTheme.Category.Misc,
+ category: ColorThemeCategory.Misc,
factory: ShapeGroupColorTheme,
getParams: getShapeGroupColorThemeParams,
defaultValues: PD.getDefaultValues(ShapeGroupColorThemeParams),
diff --git a/src/mol-theme/color/structure-index.ts b/src/mol-theme/color/structure-index.ts
index 28dda9280..6f5cea462 100644
--- a/src/mol-theme/color/structure-index.ts
+++ b/src/mol-theme/color/structure-index.ts
@@ -7,11 +7,12 @@
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
import { StructureElement, Bond, Structure } from '../../mol-model/structure';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every structure a unique color based on its index.';
@@ -59,7 +60,7 @@ export function StructureIndexColorTheme(ctx: ThemeDataContext, props: PD.Values
export const StructureIndexColorThemeProvider: ColorTheme.Provider<StructureIndexColorThemeParams, 'structure-index'> = {
name: 'structure-index',
label: 'Structure Index',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: StructureIndexColorTheme,
getParams: getStructureIndexColorThemeParams,
defaultValues: PD.getDefaultValues(StructureIndexColorThemeParams),
diff --git a/src/mol-theme/color/trajectory-index.ts b/src/mol-theme/color/trajectory-index.ts
index 87b1b9955..2c027767e 100644
--- a/src/mol-theme/color/trajectory-index.ts
+++ b/src/mol-theme/color/trajectory-index.ts
@@ -7,11 +7,12 @@
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
import { StructureElement, Bond, Model } from '../../mol-model/structure';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every model (frame) a unique color based on the index in its trajectory.';
@@ -67,7 +68,7 @@ export function TrajectoryIndexColorTheme(ctx: ThemeDataContext, props: PD.Value
export const TrajectoryIndexColorThemeProvider: ColorTheme.Provider<TrajectoryIndexColorThemeParams, 'trajectory-index'> = {
name: 'trajectory-index',
label: 'Trajectory Index',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: TrajectoryIndexColorTheme,
getParams: getTrajectoryIndexColorThemeParams,
defaultValues: PD.getDefaultValues(TrajectoryIndexColorThemeParams),
diff --git a/src/mol-theme/color/uncertainty.ts b/src/mol-theme/color/uncertainty.ts
index 891bc7abb..a37505803 100644
--- a/src/mol-theme/color/uncertainty.ts
+++ b/src/mol-theme/color/uncertainty.ts
@@ -7,9 +7,10 @@
import { Color, ColorScale } from '../../mol-util/color';
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
+import { ColorThemeCategory } from './categories';
const DefaultUncertaintyColor = Color(0xffff99);
const Description = `Assigns a color based on the uncertainty or disorder of an element's position, e.g. B-factor or RMSF, depending on the data availability and experimental technique.`;
@@ -65,7 +66,7 @@ export function UncertaintyColorTheme(ctx: ThemeDataContext, props: PD.Values<Un
export const UncertaintyColorThemeProvider: ColorTheme.Provider<UncertaintyColorThemeParams, 'uncertainty'> = {
name: 'uncertainty',
label: 'Uncertainty/Disorder',
- category: ColorTheme.Category.Atom,
+ category: ColorThemeCategory.Atom,
factory: UncertaintyColorTheme,
getParams: getUncertaintyColorThemeParams,
defaultValues: PD.getDefaultValues(UncertaintyColorThemeParams),
diff --git a/src/mol-theme/color/uniform.ts b/src/mol-theme/color/uniform.ts
index a3cbb003e..dd5d296dc 100644
--- a/src/mol-theme/color/uniform.ts
+++ b/src/mol-theme/color/uniform.ts
@@ -4,12 +4,13 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { Color } from '../../mol-util/color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { TableLegend } from '../../mol-util/legend';
import { defaults } from '../../mol-util';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives everything the same, uniform color.';
@@ -38,7 +39,7 @@ export function UniformColorTheme(ctx: ThemeDataContext, props: PD.Values<Unifor
export const UniformColorThemeProvider: ColorTheme.Provider<UniformColorThemeParams, 'uniform'> = {
name: 'uniform',
label: 'Uniform',
- category: ColorTheme.Category.Misc,
+ category: ColorThemeCategory.Misc,
factory: UniformColorTheme,
getParams: getUniformColorThemeParams,
defaultValues: PD.getDefaultValues(UniformColorThemeParams),
diff --git a/src/mol-theme/color/unit-index.ts b/src/mol-theme/color/unit-index.ts
index 54c5ef835..5368b0c33 100644
--- a/src/mol-theme/color/unit-index.ts
+++ b/src/mol-theme/color/unit-index.ts
@@ -7,12 +7,13 @@
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
import { StructureElement, Bond } from '../../mol-model/structure';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
import { ColorLists, getColorListFromName } from '../../mol-util/color/lists';
+import { ColorThemeCategory } from './categories';
const DefaultList = 'dark-2';
const DefaultColor = Color(0xCCCCCC);
@@ -74,7 +75,7 @@ export function UnitIndexColorTheme(ctx: ThemeDataContext, props: PD.Values<Unit
export const UnitIndexColorThemeProvider: ColorTheme.Provider<UnitIndexColorThemeParams, 'unit-index'> = {
name: 'unit-index',
label: 'Chain Instance',
- category: ColorTheme.Category.Chain,
+ category: ColorThemeCategory.Chain,
factory: UnitIndexColorTheme,
getParams: getUnitIndexColorThemeParams,
defaultValues: PD.getDefaultValues(UnitIndexColorThemeParams),
diff --git a/src/mol-theme/color/volume-segment.ts b/src/mol-theme/color/volume-segment.ts
index 12bfd83bc..e81353cc7 100644
--- a/src/mol-theme/color/volume-segment.ts
+++ b/src/mol-theme/color/volume-segment.ts
@@ -6,12 +6,13 @@
import { Color } from '../../mol-util/color';
import { Location } from '../../mol-model/location';
-import { ColorTheme, LocationColor } from '../color';
+import type { ColorTheme, LocationColor } from '../color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { TableLegend, ScaleLegend } from '../../mol-util/legend';
import { Volume } from '../../mol-model/volume/volume';
+import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every volume segment a unique color.';
@@ -60,7 +61,7 @@ export function VolumeSegmentColorTheme(ctx: ThemeDataContext, props: PD.Values<
export const VolumeSegmentColorThemeProvider: ColorTheme.Provider<VolumeSegmentColorThemeParams, 'volume-segment'> = {
name: 'volume-segment',
label: 'Volume Segment',
- category: ColorTheme.Category.Misc,
+ category: ColorThemeCategory.Misc,
factory: VolumeSegmentColorTheme,
getParams: getVolumeSegmentColorThemeParams,
defaultValues: PD.getDefaultValues(VolumeSegmentColorThemeParams),
diff --git a/src/mol-theme/color/volume-value.ts b/src/mol-theme/color/volume-value.ts
index 71c6c9322..aac13ae7b 100644
--- a/src/mol-theme/color/volume-value.ts
+++ b/src/mol-theme/color/volume-value.ts
@@ -4,13 +4,14 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { ColorTheme } from '../color';
+import type { ColorTheme } from '../color';
import { Color, ColorScale } from '../../mol-util/color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../theme';
import { ColorNames } from '../../mol-util/color/names';
import { ColorTypeDirect } from '../../mol-geo/geometry/color-data';
import { Volume } from '../../mol-model/volume/volume';
+import { ColorThemeCategory } from './categories';
const Description = 'Assign color based on the given value of a volume cell.';
@@ -54,7 +55,7 @@ export function VolumeValueColorTheme(ctx: ThemeDataContext, props: PD.Values<Vo
export const VolumeValueColorThemeProvider: ColorTheme.Provider<VolumeValueColorThemeParams, 'volume-value'> = {
name: 'volume-value',
label: 'Volume Value',
- category: ColorTheme.Category.Misc,
+ category: ColorThemeCategory.Misc,
factory: VolumeValueColorTheme,
getParams: getVolumeValueColorThemeParams,
defaultValues: PD.getDefaultValues(VolumeValueColorThemeParams),
diff --git a/src/mol-theme/label.ts b/src/mol-theme/label.ts
index 28f50a6e0..f04c8f658 100644
--- a/src/mol-theme/label.ts
+++ b/src/mol-theme/label.ts
@@ -254,7 +254,7 @@ function _atomicElementLabel(location: StructureElement.Location<Unit.Atomic>, g
const label_asym_id = Props.chain.label_asym_id(location);
const auth_asym_id = Props.chain.auth_asym_id(location);
- const has_label_seq_id = location.unit.model.atomicHierarchy.residues.label_seq_id.valueKind(rI) === Column.ValueKind.Present;
+ const has_label_seq_id = location.unit.model.atomicHierarchy.residues.label_seq_id.valueKind(rI) === Column.ValueKinds.Present;
const label_seq_id = Props.residue.label_seq_id(location);
const auth_seq_id = Props.residue.auth_seq_id(location);
const ins_code = Props.residue.pdbx_PDB_ins_code(location);
diff --git a/src/mol-theme/size/physical.ts b/src/mol-theme/size/physical.ts
index fdd6ff0fd..c46ca41d6 100644
--- a/src/mol-theme/size/physical.ts
+++ b/src/mol-theme/size/physical.ts
@@ -6,7 +6,7 @@
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { SizeTheme } from '../size';
+import type { SizeTheme } from '../size';
import { VdwRadius } from '../../mol-model/structure/model/properties/atomic';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
diff --git a/src/mol-theme/size/shape-group.ts b/src/mol-theme/size/shape-group.ts
index 226d1c72a..f885cdea4 100644
--- a/src/mol-theme/size/shape-group.ts
+++ b/src/mol-theme/size/shape-group.ts
@@ -8,7 +8,7 @@ import { Location } from '../../mol-model/location';
import { ShapeGroup } from '../../mol-model/shape';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
-import { SizeTheme } from '../../mol-theme/size';
+import type { SizeTheme } from '../../mol-theme/size';
const DefaultSize = 1;
const Description = 'Assigns sizes as defined by the shape object.';
diff --git a/src/mol-theme/size/uncertainty.ts b/src/mol-theme/size/uncertainty.ts
index 1e042e899..10bdf62cf 100644
--- a/src/mol-theme/size/uncertainty.ts
+++ b/src/mol-theme/size/uncertainty.ts
@@ -6,7 +6,7 @@
import { StructureElement, Unit, Bond, ElementIndex } from '../../mol-model/structure';
import { Location } from '../../mol-model/location';
-import { SizeTheme } from '../size';
+import type { SizeTheme } from '../size';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
diff --git a/src/mol-theme/size/uniform.ts b/src/mol-theme/size/uniform.ts
index 3bcbe9808..b429c3470 100644
--- a/src/mol-theme/size/uniform.ts
+++ b/src/mol-theme/size/uniform.ts
@@ -4,7 +4,7 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { SizeTheme } from '../size';
+import type { SizeTheme } from '../size';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { ThemeDataContext } from '../../mol-theme/theme';
diff --git a/src/mol-util/input/input-observer.ts b/src/mol-util/input/input-observer.ts
index 56154c531..f83b7e11a 100644
--- a/src/mol-util/input/input-observer.ts
+++ b/src/mol-util/input/input-observer.ts
@@ -106,7 +106,7 @@ export namespace ButtonsType {
export const has: (btn: ButtonsType, f: Flag) => boolean = BitFlags.has;
export const create: (fs: Flag) => ButtonsType = BitFlags.create;
- export const enum Flag {
+ export enum Flag {
/** No button or un-initialized */
None = 0x0,
/** Primary button (usually left) */
@@ -191,7 +191,7 @@ export type ResizeInput = {
}
-const enum DraggingState {
+enum DraggingState {
Stopped = 0,
Started = 1,
Moving = 2
diff --git a/src/servers/model/server/query.ts b/src/servers/model/server/query.ts
index ba71804ff..110decb3c 100644
--- a/src/servers/model/server/query.ts
+++ b/src/servers/model/server/query.ts
@@ -289,7 +289,7 @@ export function abortingObserver(p: Progress) {
function string<T>(name: string, str: (data: T, i: number) => string, isSpecified?: (data: T) => boolean): CifField<number, T> {
if (isSpecified) {
- return CifField.str(name, (i, d) => str(d, i), { valueKind: (i, d) => isSpecified(d) ? Column.ValueKind.Present : Column.ValueKind.NotPresent });
+ return CifField.str(name, (i, d) => str(d, i), { valueKind: (i, d) => isSpecified(d) ? Column.ValueKinds.Present : Column.ValueKinds.NotPresent });
}
return CifField.str(name, (i, d) => str(d, i));
}
diff --git a/src/servers/volume/server/query/encode.ts b/src/servers/volume/server/query/encode.ts
index 6cc789f37..c4e51958b 100644
--- a/src/servers/volume/server/query/encode.ts
+++ b/src/servers/volume/server/query/encode.ts
@@ -29,7 +29,7 @@ interface ResultContext {
function string<T>(name: string, str: (data: T) => string, isSpecified?: (data: T) => boolean): CifWriter.Field<number, T> {
if (isSpecified) {
- return CifWriter.Field.str(name, (i, d) => str(d), { valueKind: (i, d) => isSpecified(d) ? Column.ValueKind.Present : Column.ValueKind.NotPresent });
+ return CifWriter.Field.str(name, (i, d) => str(d), { valueKind: (i, d) => isSpecified(d) ? Column.ValueKinds.Present : Column.ValueKinds.NotPresent });
}
return CifWriter.Field.str(name, (i, d) => str(d));
}
--
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