@datagrok-libraries/bio 5.29.0 → 5.29.2

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (88) hide show
  1. package/.eslintrc.json +10 -22
  2. package/package.json +4 -3
  3. package/setup-unlink-clean.cmd +14 -0
  4. package/src/distance-functions/hamming.d.ts +3 -0
  5. package/src/distance-functions/hamming.d.ts.map +1 -0
  6. package/src/distance-functions/hamming.js +16 -0
  7. package/src/distance-functions/hamming.js.map +1 -0
  8. package/src/distance-functions/index.d.ts +2 -0
  9. package/src/distance-functions/index.d.ts.map +1 -0
  10. package/src/distance-functions/index.js +2 -0
  11. package/src/distance-functions/index.js.map +1 -0
  12. package/src/distance-functions/levenstein.d.ts +3 -0
  13. package/src/distance-functions/levenstein.d.ts.map +1 -0
  14. package/src/distance-functions/levenstein.js +7 -0
  15. package/src/distance-functions/levenstein.js.map +1 -0
  16. package/src/distance-functions/macromolecule-distance-functions.d.ts +13 -0
  17. package/src/distance-functions/macromolecule-distance-functions.d.ts.map +1 -0
  18. package/src/distance-functions/macromolecule-distance-functions.js +21 -0
  19. package/src/distance-functions/macromolecule-distance-functions.js.map +1 -0
  20. package/src/distance-functions/needleman-wunsch.d.ts +13 -0
  21. package/src/distance-functions/needleman-wunsch.d.ts.map +1 -0
  22. package/src/distance-functions/needleman-wunsch.js +90 -0
  23. package/src/distance-functions/needleman-wunsch.js.map +1 -0
  24. package/src/distance-functions/types.d.ts +2 -0
  25. package/src/distance-functions/types.d.ts.map +1 -0
  26. package/src/distance-functions/types.js +2 -0
  27. package/src/distance-functions/types.js.map +1 -0
  28. package/src/monomer-works/monomer-utils.d.ts.map +1 -1
  29. package/src/monomer-works/monomer-utils.js +1 -1
  30. package/src/monomer-works/monomer-utils.js.map +1 -1
  31. package/src/monomer-works/to-atomic-level.d.ts.map +1 -1
  32. package/src/monomer-works/to-atomic-level.js +1 -2
  33. package/src/monomer-works/to-atomic-level.js.map +1 -1
  34. package/src/trees/consts.d.ts +30 -0
  35. package/src/trees/consts.d.ts.map +1 -0
  36. package/src/trees/consts.js +39 -0
  37. package/src/trees/consts.js.map +1 -0
  38. package/src/trees/dendrogram.d.ts +1 -1
  39. package/src/trees/dendrogram.d.ts.map +1 -1
  40. package/src/trees/index.d.ts +3 -52
  41. package/src/trees/index.d.ts.map +1 -1
  42. package/src/trees/index.js +2 -41
  43. package/src/trees/index.js.map +1 -1
  44. package/src/trees/phylocanvas.d.ts +1 -1
  45. package/src/trees/tree-helper.d.ts +2 -1
  46. package/src/trees/tree-helper.d.ts.map +1 -1
  47. package/src/trees/tree-helper.js.map +1 -1
  48. package/src/trees/types.d.ts +23 -0
  49. package/src/trees/types.d.ts.map +1 -0
  50. package/src/trees/types.js +2 -0
  51. package/src/trees/types.js.map +1 -0
  52. package/src/trees/utils.d.ts +3 -0
  53. package/src/trees/utils.d.ts.map +1 -0
  54. package/src/trees/utils.js +4 -0
  55. package/src/trees/utils.js.map +1 -0
  56. package/src/utils/cell-renderer.d.ts.map +1 -1
  57. package/src/utils/cell-renderer.js +1 -1
  58. package/src/utils/cell-renderer.js.map +1 -1
  59. package/src/utils/macromolecule/consts.d.ts +35 -0
  60. package/src/utils/macromolecule/consts.d.ts.map +1 -0
  61. package/src/utils/macromolecule/consts.js +20 -0
  62. package/src/utils/macromolecule/consts.js.map +1 -0
  63. package/src/utils/macromolecule/index.d.ts +4 -0
  64. package/src/utils/macromolecule/index.d.ts.map +1 -0
  65. package/src/utils/macromolecule/index.js +2 -0
  66. package/src/utils/macromolecule/index.js.map +1 -0
  67. package/src/utils/macromolecule/types.d.ts +23 -0
  68. package/src/utils/macromolecule/types.d.ts.map +1 -0
  69. package/src/utils/macromolecule/types.js +17 -0
  70. package/src/utils/macromolecule/types.js.map +1 -0
  71. package/src/utils/{macromolecule.d.ts → macromolecule/utils.d.ts} +4 -39
  72. package/src/utils/macromolecule/utils.d.ts.map +1 -0
  73. package/src/utils/{macromolecule.js → macromolecule/utils.js} +19 -25
  74. package/src/utils/macromolecule/utils.js.map +1 -0
  75. package/src/utils/notation-converter.d.ts +2 -1
  76. package/src/utils/notation-converter.d.ts.map +1 -1
  77. package/src/utils/notation-converter.js +1 -1
  78. package/src/utils/notation-converter.js.map +1 -1
  79. package/src/utils/splitter.d.ts.map +1 -1
  80. package/src/utils/splitter.js +1 -1
  81. package/src/utils/splitter.js.map +1 -1
  82. package/src/utils/units-handler.d.ts +6 -4
  83. package/src/utils/units-handler.d.ts.map +1 -1
  84. package/src/utils/units-handler.js +25 -7
  85. package/src/utils/units-handler.js.map +1 -1
  86. package/test-dependant-packages.cmd +27 -0
  87. package/src/utils/macromolecule.d.ts.map +0 -1
  88. package/src/utils/macromolecule.js.map +0 -1
package/.eslintrc.json CHANGED
@@ -15,38 +15,26 @@
15
15
  "@typescript-eslint"
16
16
  ],
17
17
  "rules": {
18
- "indent": [
19
- "error",
20
- 2
21
- ],
22
- "max-len": [
23
- "error",
24
- 120
25
- ],
26
- "no-unused-vars": "warn",
18
+ "indent": ["error", 2, {"SwitchCase": 1}],
19
+ "max-len": ["error", 120],
20
+ "no-unused-vars": "off",
21
+ "@typescript-eslint/no-unused-vars": "warn",
27
22
  "require-jsdoc": "off",
28
23
  "valid-jsdoc": "off",
29
24
  "spaced-comment": "off",
30
25
  "linebreak-style": "off",
31
- "curly": [
32
- "error",
33
- "multi-or-nest",
34
- "consistent"
35
- ],
36
- "brace-style": [
26
+ "curly": ["error", "multi-or-nest", "consistent"],
27
+ "brace-style": ["error", "1tbs", {"allowSingleLine": true}],
28
+ "block-spacing": [2, "always"],
29
+ "comma-dangle": [
37
30
  "error",
38
- "1tbs",
39
31
  {
40
- "allowSingleLine": true
41
- }
42
- ],
43
- "block-spacing": [2, "always"],
44
- "comma-dangle": ["error", {
45
32
  "arrays": "only-multiline",
46
33
  "functions": "never",
47
34
  "objects": "only-multiline",
48
35
  "imports": "only-multiline"
49
- }],
36
+ }
37
+ ],
50
38
  "guard-for-in": "off"
51
39
  }
52
40
  }
package/package.json CHANGED
@@ -8,7 +8,7 @@
8
8
  "access": "public"
9
9
  },
10
10
  "friendlyName": "Datagrok bio library",
11
- "version": "5.29.0",
11
+ "version": "5.29.2",
12
12
  "description": "",
13
13
  "dependencies": {
14
14
  "@datagrok-libraries/gridext": "^1.3.22",
@@ -17,6 +17,7 @@
17
17
  "cash-dom": "latest",
18
18
  "datagrok-api": "^1.10.2",
19
19
  "dayjs": "latest",
20
+ "fastest-levenshtein": "^1.0.16",
20
21
  "mjolnir.js": "^2.7.0",
21
22
  "rxjs": "^6.5.5",
22
23
  "wu": "latest"
@@ -35,8 +36,8 @@
35
36
  "link-api": "npm link datagrok-api",
36
37
  "link-utils": "npm link @datagrok-libraries/utils",
37
38
  "link-all": "npm link datagrok-api @datagrok-libraries/utils @datagrok-libraries/gridext",
38
- "build-bio": "tsc",
39
- "build": "tsc",
39
+ "build-bio": "git clean -f -X -d ./src && tsc",
40
+ "build": "git clean -f -X -d ./src && tsc",
40
41
  "lint": "eslint \"./src/**/*.ts\"",
41
42
  "lint-fix": "eslint \"./src/**/*.ts\" --fix"
42
43
  }
@@ -0,0 +1,14 @@
1
+ set package_dir=%cd%
2
+
3
+ set dirs=^
4
+ \..\..\js-api\ ^
5
+ \..\..\libraries\utils\ ^
6
+ \..\..\libraries\gridext\ ^
7
+ \
8
+
9
+ call npm uninstall -g datagrok-api @datagrok-libraries/utils @datagrok-libraries/gridext
10
+
11
+ for %%p in (%dirs%) do cd %package_dir%\%%p & rmdir /s /q node_modules
12
+ for %%p in (%dirs%) do cd %package_dir%\%%p & rmdir /s /q dist
13
+
14
+ rem for %%p in (%dirs%) do cd %package_dir%\%%p & del "package-lock.json"
@@ -0,0 +1,3 @@
1
+ import { mmDistanceFunctionType } from './types';
2
+ export declare function hamming(): mmDistanceFunctionType;
3
+ //# sourceMappingURL=hamming.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"hamming.d.ts","sourceRoot":"","sources":["hamming.ts"],"names":[],"mappings":"AAAA,OAAO,EAAC,sBAAsB,EAAC,MAAM,SAAS,CAAC;AAE/C,wBAAgB,OAAO,IAAI,sBAAsB,CAehD"}
@@ -0,0 +1,16 @@
1
+ export function hamming() {
2
+ return (seq1, seq2) => {
3
+ // hamming distance should only be used with same size strings,
4
+ // but still, lets add a check and if they are not same length add the difference to the result
5
+ let diff = 0;
6
+ if (seq1.length !== seq2.length)
7
+ diff = Math.abs(seq1.length - seq2.length);
8
+ let result = 0;
9
+ for (let i = 0; i < Math.min(seq1.length, seq2.length); i++) {
10
+ if (seq1[i] !== seq2[i])
11
+ result++;
12
+ }
13
+ return result + diff;
14
+ };
15
+ }
16
+ //# sourceMappingURL=hamming.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"hamming.js","sourceRoot":"","sources":["hamming.ts"],"names":[],"mappings":"AAEA,MAAM,UAAU,OAAO;IACrB,OAAO,CAAC,IAAY,EAAE,IAAY,EAAE,EAAE;QACpC,+DAA+D;QAC/D,+FAA+F;QAC/F,IAAI,IAAI,GAAG,CAAC,CAAC;QACb,IAAI,IAAI,CAAC,MAAM,KAAK,IAAI,CAAC,MAAM;YAC7B,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,MAAM,GAAG,IAAI,CAAC,MAAM,CAAC,CAAC;QAE7C,IAAI,MAAM,GAAG,CAAC,CAAC;QACf,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,MAAM,EAAE,IAAI,CAAC,MAAM,CAAC,EAAE,CAAC,EAAE,EAAE;YAC3D,IAAI,IAAI,CAAC,CAAC,CAAC,KAAK,IAAI,CAAC,CAAC,CAAC;gBACrB,MAAM,EAAE,CAAC;SACZ;QACD,OAAO,MAAM,GAAG,IAAI,CAAC;IACvB,CAAC,CAAC;AACJ,CAAC"}
@@ -0,0 +1,2 @@
1
+ export { mmDistanceFunctionsNames, mmDistanceFunctions } from './macromolecule-distance-functions';
2
+ //# sourceMappingURL=index.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"index.d.ts","sourceRoot":"","sources":["index.ts"],"names":[],"mappings":"AAAA,OAAO,EAAC,wBAAwB,EAAE,mBAAmB,EAAC,MAAM,oCAAoC,CAAC"}
@@ -0,0 +1,2 @@
1
+ export { mmDistanceFunctionsNames, mmDistanceFunctions } from './macromolecule-distance-functions';
2
+ //# sourceMappingURL=index.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"index.js","sourceRoot":"","sources":["index.ts"],"names":[],"mappings":"AAAA,OAAO,EAAC,wBAAwB,EAAE,mBAAmB,EAAC,MAAM,oCAAoC,CAAC"}
@@ -0,0 +1,3 @@
1
+ import { mmDistanceFunctionType } from './types';
2
+ export declare function levenstein(): mmDistanceFunctionType;
3
+ //# sourceMappingURL=levenstein.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"levenstein.d.ts","sourceRoot":"","sources":["levenstein.ts"],"names":[],"mappings":"AACA,OAAO,EAAC,sBAAsB,EAAC,MAAM,SAAS,CAAC;AAE/C,wBAAgB,UAAU,IAAI,sBAAsB,CAInD"}
@@ -0,0 +1,7 @@
1
+ import { distance } from 'fastest-levenshtein';
2
+ export function levenstein() {
3
+ return (seq1, seq2) => {
4
+ return distance(seq1, seq2);
5
+ };
6
+ }
7
+ //# sourceMappingURL=levenstein.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"levenstein.js","sourceRoot":"","sources":["levenstein.ts"],"names":[],"mappings":"AAAA,OAAO,EAAC,QAAQ,EAAC,MAAM,qBAAqB,CAAC;AAG7C,MAAM,UAAU,UAAU;IACxB,OAAO,CAAC,IAAY,EAAE,IAAY,EAAE,EAAE;QACpC,OAAO,QAAQ,CAAC,IAAI,EAAE,IAAI,CAAC,CAAC;IAC9B,CAAC,CAAC;AACJ,CAAC"}
@@ -0,0 +1,13 @@
1
+ import { mmDistanceFunctionType } from './types';
2
+ /** Enum containing currently supported macromolecule distance functions
3
+ * Hamming distance will be used if the sequences are already aligned
4
+ * Needleman distance will be used for protein sequences with known BLOSUM62 matrix
5
+ * Levenshtein distance will be used for nucleotide sequences as for them substitution matrix is same as identity matrix
6
+ */
7
+ export declare enum mmDistanceFunctionsNames {
8
+ HAMMING = "Hamming",
9
+ LEVENSHTEIN = "Levenshtein",
10
+ NEEDLEMANN_WUNSCH = "Needlemann-Wunsch"
11
+ }
12
+ export declare const mmDistanceFunctions: Record<mmDistanceFunctionsNames, (value?: any) => mmDistanceFunctionType>;
13
+ //# sourceMappingURL=macromolecule-distance-functions.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"macromolecule-distance-functions.d.ts","sourceRoot":"","sources":["macromolecule-distance-functions.ts"],"names":[],"mappings":"AAGA,OAAO,EAAC,sBAAsB,EAAC,MAAM,SAAS,CAAC;AAE/C;;;;GAIG;AACH,oBAAY,wBAAwB;IAChC,OAAO,YAAY;IACnB,WAAW,gBAAgB;IAC3B,iBAAiB,sBAAsB;CAC1C;AAED,eAAO,MAAM,mBAAmB,EAAE,MAAM,CAAC,wBAAwB,EAAE,CAAC,KAAK,CAAC,EAAE,GAAG,KAAK,sBAAsB,CAIzG,CAAC"}
@@ -0,0 +1,21 @@
1
+ import { hamming } from './hamming';
2
+ import { levenstein } from './levenstein';
3
+ import { needlemanWunch } from './needleman-wunsch';
4
+ /** Enum containing currently supported macromolecule distance functions
5
+ * Hamming distance will be used if the sequences are already aligned
6
+ * Needleman distance will be used for protein sequences with known BLOSUM62 matrix
7
+ * Levenshtein distance will be used for nucleotide sequences as for them substitution matrix is same as identity matrix
8
+ */
9
+ export var mmDistanceFunctionsNames;
10
+ (function (mmDistanceFunctionsNames) {
11
+ mmDistanceFunctionsNames["HAMMING"] = "Hamming";
12
+ mmDistanceFunctionsNames["LEVENSHTEIN"] = "Levenshtein";
13
+ mmDistanceFunctionsNames["NEEDLEMANN_WUNSCH"] = "Needlemann-Wunsch";
14
+ })(mmDistanceFunctionsNames || (mmDistanceFunctionsNames = {}));
15
+ ;
16
+ export const mmDistanceFunctions = {
17
+ [mmDistanceFunctionsNames.HAMMING]: hamming,
18
+ [mmDistanceFunctionsNames.LEVENSHTEIN]: levenstein,
19
+ [mmDistanceFunctionsNames.NEEDLEMANN_WUNSCH]: needlemanWunch
20
+ };
21
+ //# sourceMappingURL=macromolecule-distance-functions.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"macromolecule-distance-functions.js","sourceRoot":"","sources":["macromolecule-distance-functions.ts"],"names":[],"mappings":"AAAA,OAAO,EAAC,OAAO,EAAC,MAAM,WAAW,CAAC;AAClC,OAAO,EAAC,UAAU,EAAC,MAAM,cAAc,CAAC;AACxC,OAAO,EAAC,cAAc,EAAC,MAAM,oBAAoB,CAAC;AAGlD;;;;GAIG;AACH,MAAM,CAAN,IAAY,wBAIX;AAJD,WAAY,wBAAwB;IAChC,+CAAmB,CAAA;IACnB,uDAA2B,CAAA;IAC3B,mEAAuC,CAAA;AAC3C,CAAC,EAJW,wBAAwB,KAAxB,wBAAwB,QAInC;AAAA,CAAC;AAEF,MAAM,CAAC,MAAM,mBAAmB,GAA8E;IAC5G,CAAC,wBAAwB,CAAC,OAAO,CAAC,EAAE,OAAO;IAC3C,CAAC,wBAAwB,CAAC,WAAW,CAAC,EAAE,UAAU;IAClD,CAAC,wBAAwB,CAAC,iBAAiB,CAAC,EAAE,cAAc;CAC7D,CAAC"}
@@ -0,0 +1,13 @@
1
+ import { mmDistanceFunctionType } from './types';
2
+ interface needlemanWunchArgs {
3
+ gapOpen: number;
4
+ gapExtend: number;
5
+ scoringMatrix: number[][];
6
+ alphabetIndexes: {
7
+ [id: string]: number;
8
+ };
9
+ }
10
+ /** Returns a function that calculates the distance between two sequences based on gap penalty and matrix */
11
+ export declare function needlemanWunch(args: Partial<needlemanWunchArgs>): mmDistanceFunctionType;
12
+ export {};
13
+ //# sourceMappingURL=needleman-wunsch.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"needleman-wunsch.d.ts","sourceRoot":"","sources":["needleman-wunsch.ts"],"names":[],"mappings":"AAAA,OAAO,EAAC,sBAAsB,EAAC,MAAM,SAAS,CAAC;AAoC/C,UAAU,kBAAkB;IAC1B,OAAO,EAAE,MAAM,CAAC;IAChB,SAAS,EAAE,MAAM,CAAC;IAClB,aAAa,EAAE,MAAM,EAAE,EAAE,CAAC;IAC1B,eAAe,EAAE;QAAC,CAAC,EAAE,EAAC,MAAM,GAAE,MAAM,CAAA;KAAC,CAAC;CACvC;AASD,4GAA4G;AAC5G,wBAAgB,cAAc,CAAC,IAAI,EAAE,OAAO,CAAC,kBAAkB,CAAC,GAAG,sBAAsB,CAqDxF"}
@@ -0,0 +1,90 @@
1
+ // Blosum 62 matrix for protein sequences
2
+ const BLOSUM62 = [[4, -1, -2, -2, 0, -1, -1, 0, -2, -1, -1, -1, -1, -2, -1, 1, 0, -3, -2, 0, -2, -1, 0, -4],
3
+ [-1, 5, 0, -2, -3, 1, 0, -2, 0, -3, -2, 2, -1, -3, -2, -1, -1, -3, -2, -3, -1, 0, -1, -4],
4
+ [-2, 0, 6, 1, -3, 0, 0, 0, 1, -3, -3, 0, -2, -3, -2, 1, 0, -4, -2, -3, 3, 0, -1, -4],
5
+ [-2, -2, 1, 6, -3, 0, 2, -1, -1, -3, -4, -1, -3, -3, -1, 0, -1, -4, -3, -3, 4, 1, -1, -4],
6
+ [0, -3, -3, -3, 9, -3, -4, -3, -3, -1, -1, -3, -1, -2, -3, -1, -1, -2, -2, -1, -3, -3, -2, -4],
7
+ [-1, 1, 0, 0, -3, 5, 2, -2, 0, -3, -2, 1, 0, -3, -1, 0, -1, -2, -1, -2, 0, 3, -1, -4],
8
+ [-1, 0, 0, 2, -4, 2, 5, -2, 0, -3, -3, 1, -2, -3, -1, 0, -1, -3, -2, -2, 1, 4, -1, -4],
9
+ [0, -2, 0, -1, -3, -2, -2, 6, -2, -4, -4, -2, -3, -3, -2, 0, -2, -2, -3, -3, -1, -2, -1, -4],
10
+ [-2, 0, 1, -1, -3, 0, 0, -2, 8, -3, -3, -1, -2, -1, -2, -1, -2, -2, 2, -3, 0, 0, -1, -4],
11
+ [-1, -3, -3, -3, -1, -3, -3, -4, -3, 4, 2, -3, 1, 0, -3, -2, -1, -3, -1, 3, -3, -3, -1, -4],
12
+ [-1, -2, -3, -4, -1, -2, -3, -4, -3, 2, 4, -2, 2, 0, -3, -2, -1, -2, -1, 1, -4, -3, -1, -4],
13
+ [-1, 2, 0, -1, -3, 1, 1, -2, -1, -3, -2, 5, -1, -3, -1, 0, -1, -3, -2, -2, 0, 1, -1, -4],
14
+ [-1, -1, -2, -3, -1, 0, -2, -3, -2, 1, 2, -1, 5, 0, -2, -1, -1, -1, -1, 1, -3, -1, -1, -4],
15
+ [-2, -3, -3, -3, -2, -3, -3, -3, -1, 0, 0, -3, 0, 6, -4, -2, -2, 1, 3, -1, -3, -3, -1, -4],
16
+ [-1, -2, -2, -1, -3, -1, -1, -2, -2, -3, -3, -1, -2, -4, 7, -1, -1, -4, -3, -2, -2, -1, -2, -4],
17
+ [1, -1, 1, 0, -1, 0, 0, 0, -1, -2, -2, 0, -1, -2, -1, 4, 1, -3, -2, -2, 0, 0, 0, -4],
18
+ [0, -1, 0, -1, -1, -1, -1, -2, -2, -1, -1, -1, -1, -2, -1, 1, 5, -2, -2, 0, -1, -1, 0, -4],
19
+ [-3, -3, -4, -4, -2, -2, -3, -2, -2, -3, -2, -3, -1, 1, -4, -3, -2, 11, 2, -3, -4, -3, -2, -4],
20
+ [-2, -2, -2, -3, -2, -1, -2, -3, 2, -1, -1, -2, -1, 3, -3, -2, -2, 2, 7, -1, -3, -2, -1, -4],
21
+ [0, -3, -3, -3, -1, -2, -2, -3, -3, 3, 1, -2, 1, -1, -2, -2, 0, -3, -1, 4, -3, -2, -1, -4],
22
+ [-2, -1, 3, 4, -3, 0, 1, -1, 0, -3, -4, 0, -3, -3, -2, 0, -1, -4, -3, -3, 4, 1, -1, -4],
23
+ [-1, 0, 0, 1, -3, 3, 4, -2, 0, -3, -3, 1, -1, -3, -1, 0, -1, -3, -2, -2, 1, 4, -1, -4],
24
+ [0, -1, -1, -1, -2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -2, 0, 0, -2, -1, -1, -1, -1, -1, -4],
25
+ [-4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, -4, 1]];
26
+ // Protein indexes for BLOSUM matrix
27
+ const ProtIndexes = {
28
+ 'A': 0, 'R': 1, 'N': 2, 'D': 3, 'C': 4, 'Q': 5, 'E': 6, 'G': 7, 'H': 8,
29
+ 'I': 9, 'L': 10, 'K': 11, 'M': 12, 'F': 13, 'P': 14, 'S': 15, 'T': 16,
30
+ 'W': 17, 'Y': 18, 'V': 19, 'B': 20, 'Z': 21, 'X': 22, '*': 23
31
+ };
32
+ const defaultArgs = {
33
+ gapOpen: 8,
34
+ gapExtend: 2,
35
+ scoringMatrix: BLOSUM62,
36
+ alphabetIndexes: ProtIndexes
37
+ };
38
+ /** Returns a function that calculates the distance between two sequences based on gap penalty and matrix */
39
+ export function needlemanWunch(args) {
40
+ return (seq1, seq2) => {
41
+ const { gapOpen, gapExtend, scoringMatrix, alphabetIndexes } = Object.assign(Object.assign({}, defaultArgs), args);
42
+ // As we don't need traceback, no need to store the whole matrix
43
+ // Intead, we will store only the last two rows
44
+ const matrix = [
45
+ new Array(seq1.length + 1).fill(0),
46
+ new Array(seq1.length + 1).fill(0)
47
+ ];
48
+ // similarly, we need to keep track of what operation led to the current cell
49
+ // i.e. whether we came from the left, top or diagonal to assign gap open/gap extend penalty
50
+ const verticalGaps = new Array(seq1.length + 1).fill(false);
51
+ const horizontalGaps = new Array(seq1.length + 1).fill(false);
52
+ //variables to keep track which row we are in
53
+ // they will swap places on each iteration
54
+ let prevRow = 0;
55
+ let currRow = 1;
56
+ // Initialize first row
57
+ for (let i = 0; i < seq1.length + 1; i++)
58
+ matrix[0][i] = -gapOpen - i * gapExtend;
59
+ // Calculate the rest of the matrix
60
+ for (let i = 1; i < seq2.length + 1; i++) {
61
+ matrix[currRow][0] = -gapOpen - (i - 1) * gapExtend;
62
+ for (let j = 1; j < seq1.length + 1; j++) {
63
+ const diagonal = matrix[prevRow][j - 1] + scoringMatrix[alphabetIndexes[seq1[j - 1]]][alphabetIndexes[seq2[i - 1]]];
64
+ const top = matrix[prevRow][j] - (verticalGaps[j] ? gapExtend : gapOpen);
65
+ const left = matrix[currRow][j - 1] - (horizontalGaps[j - 1] ? gapExtend : gapOpen);
66
+ matrix[currRow][j] = Math.max(diagonal, left, top);
67
+ // update gap arrays
68
+ if (matrix[currRow][j] === diagonal) {
69
+ verticalGaps[j] = false;
70
+ horizontalGaps[j] = false;
71
+ }
72
+ else if (matrix[currRow][j] === left) {
73
+ verticalGaps[j] = false;
74
+ horizontalGaps[j] = true;
75
+ }
76
+ else {
77
+ verticalGaps[j] = true;
78
+ horizontalGaps[j] = false;
79
+ }
80
+ }
81
+ // Swap rows
82
+ prevRow = currRow;
83
+ currRow = (currRow + 1) % 2;
84
+ }
85
+ // as the matrix is the similarity matrix, but we are interested in distance,
86
+ // we need to invert the result
87
+ return -matrix[prevRow][seq1.length];
88
+ };
89
+ }
90
+ //# sourceMappingURL=needleman-wunsch.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"needleman-wunsch.js","sourceRoot":"","sources":["needleman-wunsch.ts"],"names":[],"mappings":"AAEA,yCAAyC;AACzC,MAAM,QAAQ,GACd,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;IACxF,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACzF,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACpF,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACzF,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC9F,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACrF,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACtF,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC5F,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACxF,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC3F,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC3F,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACxF,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC1F,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC1F,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC/F,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;IACpF,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,CAAC;IAC1F,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC9F,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC5F,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC1F,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACvF,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IACtF,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;IAC7F,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC;AAEnG,oCAAoC;AACpC,MAAM,WAAW,GAAyB;IACxC,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,CAAC;IACtE,GAAG,EAAE,CAAC,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE;IACrE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE;CAC9D,CAAC;AASF,MAAM,WAAW,GAAuB;IACtC,OAAO,EAAE,CAAC;IACV,SAAS,EAAE,CAAC;IACZ,aAAa,EAAE,QAAQ;IACvB,eAAe,EAAE,WAAW;CAC7B,CAAC;AAEF,4GAA4G;AAC5G,MAAM,UAAU,cAAc,CAAC,IAAiC;IAC9D,OAAO,CAAC,IAAY,EAAE,IAAY,EAAW,EAAE;QAC7C,MAAM,EAAC,OAAO,EAAE,SAAS,EAAE,aAAa,EAAE,eAAe,EAAC,mCAAO,WAAW,GAAK,IAAI,CAAC,CAAC;QACvF,gEAAgE;QAChE,+CAA+C;QAC/C,MAAM,MAAM,GAAe;YACzB,IAAI,KAAK,CAAS,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;YAC1C,IAAI,KAAK,CAAS,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC;SAC3C,CAAC;QACF,6EAA6E;QAC7E,4FAA4F;QAC5F,MAAM,YAAY,GAAc,IAAI,KAAK,CAAU,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;QAChF,MAAM,cAAc,GAAc,IAAI,KAAK,CAAU,IAAI,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;QAElF,6CAA6C;QAC7C,0CAA0C;QAC1C,IAAI,OAAO,GAAG,CAAC,CAAC;QAChB,IAAI,OAAO,GAAG,CAAC,CAAC;QAChB,uBAAuB;QACvB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,EAAE;YACtC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,GAAG,CAAC,GAAG,SAAS,CAAC;QAE1C,mCAAmC;QACnC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,EAAE,EAAE;YACxC,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,OAAO,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,SAAS,CAAC;YACpD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,IAAI,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,EAAE,EAAE;gBACxC,MAAM,QAAQ,GACZ,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,aAAa,CAAC,eAAe,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,eAAe,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;gBACrG,MAAM,GAAG,GAAG,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,YAAY,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,OAAO,CAAE,CAAC;gBAC1E,MAAM,IAAI,GAAG,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,cAAc,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,OAAO,CAAC,CAAC;gBACpF,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,GAAG,CAC3B,QAAQ,EAAE,IAAI,EAAE,GAAG,CACpB,CAAC;gBACF,oBAAoB;gBACpB,IAAI,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,KAAK,QAAQ,EAAE;oBACnC,YAAY,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC;oBACxB,cAAc,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC;iBAC3B;qBAAM,IAAI,MAAM,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,KAAK,IAAI,EAAE;oBACtC,YAAY,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC;oBACxB,cAAc,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC;iBAC1B;qBAAM;oBACL,YAAY,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC;oBACvB,cAAc,CAAC,CAAC,CAAC,GAAG,KAAK,CAAC;iBAC3B;aACF;YACD,YAAY;YACZ,OAAO,GAAG,OAAO,CAAC;YAClB,OAAO,GAAG,CAAC,OAAO,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC;SAC7B;QACD,6EAA6E;QAC7E,+BAA+B;QAC/B,OAAO,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;IACvC,CAAC,CAAC;AACJ,CAAC"}
@@ -0,0 +1,2 @@
1
+ export type mmDistanceFunctionType = (seq1: string, seq2: string) => number;
2
+ //# sourceMappingURL=types.d.ts.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"types.d.ts","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAAA,MAAM,MAAM,sBAAsB,GAAG,CAAC,IAAI,EAAE,MAAM,EAAE,IAAI,EAAE,MAAM,KAAK,MAAM,CAAC"}
@@ -0,0 +1,2 @@
1
+ export {};
2
+ //# sourceMappingURL=types.js.map
@@ -0,0 +1 @@
1
+ {"version":3,"file":"types.js","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":""}
@@ -1 +1 @@
1
- {"version":3,"file":"monomer-utils.d.ts","sourceRoot":"","sources":["monomer-utils.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAQtC,OAAO,EAAC,WAAW,EAAU,MAAM,gBAAgB,CAAC;AAGpD,eAAO,MAAM,mBAAmB,UAAyE,CAAC;AAE1G,wBAAgB,cAAc,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM,GAAG,IAAI,CAwB/D;AAED,wBAAgB,kBAAkB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAuB3F;AAED,wBAAgB,wBAAwB,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAoBhG;AAED,wBAAgB,qBAAqB,CAAC,GAAG,EAAE,GAAG,EAAE,GAAG;IAAE,CAAC,GAAG,EAAE,MAAM,GAAG,MAAM,GAAG,GAAG,CAAA;CAAE,CAYjF;AAED,wBAAgB,2BAA2B,CAAC,KAAK,EAAE,EAAE,CAAC,SAAS,GAAG,GAAG,CA8BpE;AAED,MAAM,WAAW,iBAAiB;IAChC,gCAAgC;IAChC,SAAS,IAAI,WAAW,CAAC;IAEzB;;OAEG;IACH,aAAa,CAAC,MAAM,CAAC,EAAE,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE/C,6DAA6D;IAC7D,WAAW,CAAC,IAAI,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,WAAW,CAAC,CAAC;CACnE;AAED,wBAAsB,mBAAmB,IAAI,OAAO,CAAC,iBAAiB,CAAC,CAOtE"}
1
+ {"version":3,"file":"monomer-utils.d.ts","sourceRoot":"","sources":["monomer-utils.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAOtC,OAAO,EAAC,WAAW,EAAU,MAAM,gBAAgB,CAAC;AAMpD,eAAO,MAAM,mBAAmB,UAAyE,CAAC;AAE1G,wBAAgB,cAAc,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM,GAAG,IAAI,CAwB/D;AAED,wBAAgB,kBAAkB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAuB3F;AAED,wBAAgB,wBAAwB,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAoBhG;AAED,wBAAgB,qBAAqB,CAAC,GAAG,EAAE,GAAG,EAAE,GAAG;IAAE,CAAC,GAAG,EAAE,MAAM,GAAG,MAAM,GAAG,GAAG,CAAA;CAAE,CAYjF;AAED,wBAAgB,2BAA2B,CAAC,KAAK,EAAE,EAAE,CAAC,SAAS,GAAG,GAAG,CA8BpE;AAED,MAAM,WAAW,iBAAiB;IAChC,gCAAgC;IAChC,SAAS,IAAI,WAAW,CAAC;IAEzB;;OAEG;IACH,aAAa,CAAC,MAAM,CAAC,EAAE,OAAO,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC;IAE/C,6DAA6D;IAC7D,WAAW,CAAC,IAAI,EAAE,MAAM,EAAE,QAAQ,EAAE,MAAM,GAAG,OAAO,CAAC,WAAW,CAAC,CAAC;CACnE;AAED,wBAAsB,mBAAmB,IAAI,OAAO,CAAC,iBAAiB,CAAC,CAOtE"}
@@ -11,7 +11,7 @@ var __awaiter = (this && this.__awaiter) || function (thisArg, _arguments, P, ge
11
11
  import * as DG from 'datagrok-api/dg';
12
12
  import * as grok from 'datagrok-api/grok';
13
13
  import { HELM_CORE_FIELDS, jsonSdfMonomerLibDict, MONOMER_ENCODE_MAX, MONOMER_ENCODE_MIN, SDF_MONOMER_NAME } from '../utils/const';
14
- import { getSplitter } from '../utils/macromolecule';
14
+ import { getSplitter } from '../utils/macromolecule/utils';
15
15
  export const expectedMonomerData = ['symbol', 'name', 'molfile', 'rgroups', 'polymerType', 'monomerType'];
16
16
  export function encodeMonomers(col) {
17
17
  let encodeSymbol = MONOMER_ENCODE_MIN;
@@ -1 +1 @@
1
- {"version":3,"file":"monomer-utils.js","sourceRoot":"","sources":["monomer-utils.ts"],"names":[],"mappings":";;;;;;;;;AAAA,yCAAyC;AACzC,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AACtC,OAAO,KAAK,IAAI,MAAM,mBAAmB,CAAC;AAE1C,OAAO,EACQ,gBAAgB,EAAiB,qBAAqB,EACnE,kBAAkB,EAAE,kBAAkB,EAAE,gBAAgB,EACzD,MAAM,gBAAgB,CAAC;AACxB,OAAO,EAAC,WAAW,EAAqB,MAAM,wBAAwB,CAAC;AAIvE,MAAM,CAAC,MAAM,mBAAmB,GAAG,CAAC,QAAQ,EAAE,MAAM,EAAE,SAAS,EAAE,SAAS,EAAE,aAAa,EAAE,aAAa,CAAC,CAAC;AAE1G,MAAM,UAAU,cAAc,CAAC,GAAc;IAC3C,IAAI,YAAY,GAAG,kBAAkB,CAAC;IACtC,MAAM,iBAAiB,GAA8B,EAAE,CAAC;IACxD,MAAM,KAAK,GAAG,GAAG,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACtC,MAAM,GAAG,GAAG,GAAG,CAAC,MAAM,kCAAgB,CAAC;IACvC,MAAM,YAAY,GAAiB,WAAW,CAAC,KAAK,EAAE,GAAG,CAAC,CAAC;IAC3D,MAAM,kBAAkB,GAAG,EAAE,CAAC;IAC9B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;QACnC,IAAI,iBAAiB,GAAG,EAAE,CAAC;QAC3B,MAAM,QAAQ,GAAG,YAAY,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAC1C,QAAQ,CAAC,OAAO,CAAC,CAAC,CAAC,EAAE,EAAE;YACrB,IAAI,CAAC,iBAAiB,CAAC,CAAC,CAAC,EAAE;gBACzB,IAAI,YAAY,GAAG,kBAAkB,EAAE;oBACrC,IAAI,CAAC,KAAK,CAAC,KAAK,CAAC,uCAAuC,CAAC,CAAC;oBAC1D,OAAO,IAAI,CAAC;iBACb;gBACD,iBAAiB,CAAC,CAAC,CAAC,GAAG,YAAY,CAAC;gBACpC,YAAY,EAAE,CAAC;aAChB;YACD,iBAAiB,IAAI,MAAM,CAAC,aAAa,CAAC,iBAAiB,CAAC,CAAC,CAAC,CAAC,CAAC;QAClE,CAAC,CAAC,CAAC;QACH,kBAAkB,CAAC,IAAI,CAAC,iBAAiB,CAAC,CAAC;KAC5C;IACD,OAAO,EAAE,CAAC,MAAM,CAAC,WAAW,CAAC,kBAAkB,EAAE,kBAAkB,CAAC,CAAC;AACvE,CAAC;AAED,MAAM,UAAU,kBAAkB,CAAC,GAAc,EAAE,iBAAwB;IACzE,MAAM,KAAK,GAAG,GAAG,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACtC,MAAM,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC,WAAW,CAAC,CAAC;IACpC,MAAM,YAAY,GAAiB,WAAW,CAAC,KAAK,EAAE,GAAG,CAAC,CAAC;IAC3D,MAAM,YAAY,GAAG,qBAAqB,CAAC,iBAAiB,CAAC,CAAC;IAC9D,MAAM,QAAQ,GAAG,EAAE,CAAC;IACpB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;QACnC,MAAM,aAAa,GAAG,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;QACjC,MAAM,QAAQ,GAAG,YAAY,CAAC,aAAa,CAAC,CAAC;QAC7C,MAAM,cAAc,GAAG,EAAE,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;YACxC,IAAI,QAAQ,CAAC,CAAC,CAAC,EAAE;gBACf,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,EAAE;oBAC9B,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,WAAW,QAAQ,CAAC,CAAC,CAAC,0DAA0D,CAAC,CAAC;oBACrG,OAAO,IAAI,CAAC;iBACb;gBACD,2CAA2C;gBAC3C,cAAc,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;aAC5E;SACF;QACD,QAAQ,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;KAC/B;IACD,OAAO,QAAQ,CAAC;AAClB,CAAC;AAED,MAAM,UAAU,wBAAwB,CAAC,IAAa,EAAE,iBAAwB;IAC9E,MAAM,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAC9C,MAAM,GAAG,GAAG,IAAI,CAAC,MAAO,CAAC,MAAM,CAAC,WAAW,CAAC,CAAC;IAC7C,MAAM,YAAY,GAAiB,WAAW,CAAC,KAAK,EAAE,GAAG,CAAC,CAAC;IAC3D,MAAM,YAAY,GAAG,qBAAqB,CAAC,iBAAiB,CAAC,CAAC;IAC9D,MAAM,QAAQ,GAAG,EAAE,CAAC;IACpB,MAAM,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC;IACjC,MAAM,QAAQ,GAAG,YAAY,CAAC,aAAa,CAAC,CAAC;IAC7C,MAAM,cAAc,GAAG,EAAE,CAAC;IAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;QACxC,IAAI,QAAQ,CAAC,CAAC,CAAC,EAAE;YACf,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,EAAE;gBAC9B,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,WAAW,QAAQ,CAAC,CAAC,CAAC,0DAA0D,CAAC,CAAC;gBACrG,OAAO,IAAI,CAAC;aACb;YACD,cAAc,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;SAC5E;KACF;IACD,QAAQ,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;IAC9B,OAAO,QAAQ,CAAC;AAClB,CAAC;AAED,MAAM,UAAU,qBAAqB,CAAC,GAAU;IAC9C,MAAM,IAAI,GAAoC,EAAE,CAAC;IACjD,GAAG,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,EAAE;QACjB,IAAI,EAAE,CAAC,aAAa,CAAC,KAAK,SAAS,EAAE;YACnC,MAAM,aAAa,GAA2B,EAAE,CAAC;YACjD,gBAAgB,CAAC,OAAO,CAAC,CAAC,KAAK,EAAE,EAAE;gBACjC,aAAa,CAAC,KAAK,CAAC,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC;YACnC,CAAC,CAAC,CAAC;YACH,IAAI,CAAC,EAAE,mCAAoB,CAAC,GAAG,aAAa,CAAC;SAC9C;IACH,CAAC,CAAC,CAAC;IACH,OAAO,IAAI,CAAC;AACd,CAAC;AAED,MAAM,UAAU,2BAA2B,CAAC,KAAmB;IAC7D,MAAM,SAAS,GAAG,EAAE,CAAC;IACrB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,QAAQ,EAAE,CAAC,EAAE,EAAE;QACvC,MAAM,OAAO,GAAoC,EAAE,CAAC;QACpD,MAAM,CAAC,IAAI,CAAC,qBAAqB,CAAC,CAAC,OAAO,CAAC,CAAC,GAAG,EAAE,EAAE;YACjD,IAAI,GAAG,sCAAuB,EAAE;gBAC9B,MAAM,aAAa,GAAG,KAAK,CAAC,GAAG,CAAC,qBAAqB,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;gBAC/D,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,KAAK,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,gBAAgB,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,aAAa,CAAC;aACvF;iBAAM,IAAI,GAAG,wCAAwB,EAAE;gBACtC,MAAM,OAAO,GAAG,KAAK,CAAC,GAAG,CAAC,qBAAqB,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;gBACrE,MAAM,WAAW,GAAU,EAAE,CAAC;gBAC9B,OAAO,CAAC,OAAO,CAAC,CAAC,CAAS,EAAE,EAAE;oBAC5B,MAAM,MAAM,GAAoC,EAAE,CAAC;oBACnD,MAAM,OAAO,GAAG,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,WAAW,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;oBACpD,MAAM,UAAU,GAAG,CAAC,CAAC,KAAK,CAAC,YAAY,CAAE,CAAC,CAAC,CAAC,CAAC;oBAC7C,MAAM,uDAAgC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,MAAM,UAAU,MAAM,CAAC,CAAC,CAAC,OAAO,UAAU,GAAG,CAAC;oBACzG,MAAM,4CAAwB,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,IAAI,UAAU,IAAI,CAAC,CAAC,CAAC,IAAI,UAAU,KAAK,CAAC;oBAC5F,MAAM,mDAA8B,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC;oBACpE,MAAM,mCAAqB,GAAG,IAAI,UAAU,EAAE,CAAC;oBAC/C,WAAW,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;gBAC3B,CAAC,CAAC,CAAC;gBACH,OAAO,CAAC,GAAG,CAAC,GAAG,WAAW,CAAC;aAC5B;iBAAM;gBACL,IAAK,qBAAyD,CAAC,GAAG,CAAC;oBACjE,OAAO,CAAC,GAAG,CAAC,GAAG,KAAK,CAAC,GAAG,CAAE,qBAAyD,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;aAChG;QACH,CAAC,CAAC,CAAC;QACH,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;KACzB;IACD,OAAO,SAAS,CAAC;AACnB,CAAC;AAeD,MAAM,UAAgB,mBAAmB;;QACvC,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,KAAK,EAAE,IAAI,EAAE,qBAAqB,EAAC,CAAC,CAAC;QAC7E,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;YACvB,MAAM,IAAI,KAAK,CAAC,2DAA2D,CAAC,CAAC;QAE/E,MAAM,GAAG,GAAsB,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAuB,CAAC;QAC/G,OAAO,GAAG,CAAC;IACb,CAAC;CAAA"}
1
+ {"version":3,"file":"monomer-utils.js","sourceRoot":"","sources":["monomer-utils.ts"],"names":[],"mappings":";;;;;;;;;AAAA,yCAAyC;AACzC,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AACtC,OAAO,KAAK,IAAI,MAAM,mBAAmB,CAAC;AAE1C,OAAO,EACQ,gBAAgB,EAAiB,qBAAqB,EACnE,kBAAkB,EAAE,kBAAkB,EAAE,gBAAgB,EACzD,MAAM,gBAAgB,CAAC;AAIxB,OAAO,EAAC,WAAW,EAAC,MAAM,8BAA8B,CAAC;AAGzD,MAAM,CAAC,MAAM,mBAAmB,GAAG,CAAC,QAAQ,EAAE,MAAM,EAAE,SAAS,EAAE,SAAS,EAAE,aAAa,EAAE,aAAa,CAAC,CAAC;AAE1G,MAAM,UAAU,cAAc,CAAC,GAAc;IAC3C,IAAI,YAAY,GAAG,kBAAkB,CAAC;IACtC,MAAM,iBAAiB,GAA8B,EAAE,CAAC;IACxD,MAAM,KAAK,GAAG,GAAG,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACtC,MAAM,GAAG,GAAG,GAAG,CAAC,MAAM,kCAAgB,CAAC;IACvC,MAAM,YAAY,GAAiB,WAAW,CAAC,KAAK,EAAE,GAAG,CAAC,CAAC;IAC3D,MAAM,kBAAkB,GAAG,EAAE,CAAC;IAC9B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;QACnC,IAAI,iBAAiB,GAAG,EAAE,CAAC;QAC3B,MAAM,QAAQ,GAAG,YAAY,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;QAC1C,QAAQ,CAAC,OAAO,CAAC,CAAC,CAAS,EAAE,EAAE;YAC7B,IAAI,CAAC,iBAAiB,CAAC,CAAC,CAAC,EAAE;gBACzB,IAAI,YAAY,GAAG,kBAAkB,EAAE;oBACrC,IAAI,CAAC,KAAK,CAAC,KAAK,CAAC,uCAAuC,CAAC,CAAC;oBAC1D,OAAO,IAAI,CAAC;iBACb;gBACD,iBAAiB,CAAC,CAAC,CAAC,GAAG,YAAY,CAAC;gBACpC,YAAY,EAAE,CAAC;aAChB;YACD,iBAAiB,IAAI,MAAM,CAAC,aAAa,CAAC,iBAAiB,CAAC,CAAC,CAAC,CAAC,CAAC;QAClE,CAAC,CAAC,CAAC;QACH,kBAAkB,CAAC,IAAI,CAAC,iBAAiB,CAAC,CAAC;KAC5C;IACD,OAAO,EAAE,CAAC,MAAM,CAAC,WAAW,CAAC,kBAAkB,EAAE,kBAAkB,CAAC,CAAC;AACvE,CAAC;AAED,MAAM,UAAU,kBAAkB,CAAC,GAAc,EAAE,iBAAwB;IACzE,MAAM,KAAK,GAAG,GAAG,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IACtC,MAAM,GAAG,GAAG,GAAG,CAAC,MAAM,CAAC,WAAW,CAAC,CAAC;IACpC,MAAM,YAAY,GAAiB,WAAW,CAAC,KAAK,EAAE,GAAG,CAAC,CAAC;IAC3D,MAAM,YAAY,GAAG,qBAAqB,CAAC,iBAAiB,CAAC,CAAC;IAC9D,MAAM,QAAQ,GAAG,EAAE,CAAC;IACpB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;QACnC,MAAM,aAAa,GAAG,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;QACjC,MAAM,QAAQ,GAAG,YAAY,CAAC,aAAa,CAAC,CAAC;QAC7C,MAAM,cAAc,GAAG,EAAE,CAAC;QAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;YACxC,IAAI,QAAQ,CAAC,CAAC,CAAC,EAAE;gBACf,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,EAAE;oBAC9B,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,WAAW,QAAQ,CAAC,CAAC,CAAC,0DAA0D,CAAC,CAAC;oBACrG,OAAO,IAAI,CAAC;iBACb;gBACD,2CAA2C;gBAC3C,cAAc,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;aAC5E;SACF;QACD,QAAQ,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;KAC/B;IACD,OAAO,QAAQ,CAAC;AAClB,CAAC;AAED,MAAM,UAAU,wBAAwB,CAAC,IAAa,EAAE,iBAAwB;IAC9E,MAAM,KAAK,GAAG,IAAI,CAAC,MAAM,CAAC,IAAI,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;IAC9C,MAAM,GAAG,GAAG,IAAI,CAAC,MAAO,CAAC,MAAM,CAAC,WAAW,CAAC,CAAC;IAC7C,MAAM,YAAY,GAAiB,WAAW,CAAC,KAAK,EAAE,GAAG,CAAC,CAAC;IAC3D,MAAM,YAAY,GAAG,qBAAqB,CAAC,iBAAiB,CAAC,CAAC;IAC9D,MAAM,QAAQ,GAAG,EAAE,CAAC;IACpB,MAAM,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC;IACjC,MAAM,QAAQ,GAAG,YAAY,CAAC,aAAa,CAAC,CAAC;IAC7C,MAAM,cAAc,GAAG,EAAE,CAAC;IAC1B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,EAAE;QACxC,IAAI,QAAQ,CAAC,CAAC,CAAC,EAAE;YACf,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,EAAE;gBAC9B,IAAI,CAAC,KAAK,CAAC,OAAO,CAAC,WAAW,QAAQ,CAAC,CAAC,CAAC,0DAA0D,CAAC,CAAC;gBACrG,OAAO,IAAI,CAAC;aACb;YACD,cAAc,CAAC,IAAI,CAAC,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,SAAS,CAAC,YAAY,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;SAC5E;KACF;IACD,QAAQ,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC;IAC9B,OAAO,QAAQ,CAAC;AAClB,CAAC;AAED,MAAM,UAAU,qBAAqB,CAAC,GAAU;IAC9C,MAAM,IAAI,GAAoC,EAAE,CAAC;IACjD,GAAG,CAAC,OAAO,CAAC,CAAC,EAAE,EAAE,EAAE;QACjB,IAAI,EAAE,CAAC,aAAa,CAAC,KAAK,SAAS,EAAE;YACnC,MAAM,aAAa,GAA2B,EAAE,CAAC;YACjD,gBAAgB,CAAC,OAAO,CAAC,CAAC,KAAK,EAAE,EAAE;gBACjC,aAAa,CAAC,KAAK,CAAC,GAAG,EAAE,CAAC,KAAK,CAAC,CAAC;YACnC,CAAC,CAAC,CAAC;YACH,IAAI,CAAC,EAAE,mCAAoB,CAAC,GAAG,aAAa,CAAC;SAC9C;IACH,CAAC,CAAC,CAAC;IACH,OAAO,IAAI,CAAC;AACd,CAAC;AAED,MAAM,UAAU,2BAA2B,CAAC,KAAmB;IAC7D,MAAM,SAAS,GAAG,EAAE,CAAC;IACrB,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,QAAQ,EAAE,CAAC,EAAE,EAAE;QACvC,MAAM,OAAO,GAAoC,EAAE,CAAC;QACpD,MAAM,CAAC,IAAI,CAAC,qBAAqB,CAAC,CAAC,OAAO,CAAC,CAAC,GAAG,EAAE,EAAE;YACjD,IAAI,GAAG,sCAAuB,EAAE;gBAC9B,MAAM,aAAa,GAAG,KAAK,CAAC,GAAG,CAAC,qBAAqB,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;gBAC/D,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,KAAK,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,GAAG,CAAC,gBAAgB,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,aAAa,CAAC;aACvF;iBAAM,IAAI,GAAG,wCAAwB,EAAE;gBACtC,MAAM,OAAO,GAAG,KAAK,CAAC,GAAG,CAAC,qBAAqB,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC;gBACrE,MAAM,WAAW,GAAU,EAAE,CAAC;gBAC9B,OAAO,CAAC,OAAO,CAAC,CAAC,CAAS,EAAE,EAAE;oBAC5B,MAAM,MAAM,GAAoC,EAAE,CAAC;oBACnD,MAAM,OAAO,GAAG,CAAC,CAAC,SAAS,CAAC,CAAC,CAAC,WAAW,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC,CAAC;oBACpD,MAAM,UAAU,GAAG,CAAC,CAAC,KAAK,CAAC,YAAY,CAAE,CAAC,CAAC,CAAC,CAAC;oBAC7C,MAAM,uDAAgC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,MAAM,UAAU,MAAM,CAAC,CAAC,CAAC,OAAO,UAAU,GAAG,CAAC;oBACzG,MAAM,4CAAwB,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,IAAI,UAAU,IAAI,CAAC,CAAC,CAAC,IAAI,UAAU,KAAK,CAAC;oBAC5F,MAAM,mDAA8B,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC;oBACpE,MAAM,mCAAqB,GAAG,IAAI,UAAU,EAAE,CAAC;oBAC/C,WAAW,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;gBAC3B,CAAC,CAAC,CAAC;gBACH,OAAO,CAAC,GAAG,CAAC,GAAG,WAAW,CAAC;aAC5B;iBAAM;gBACL,IAAK,qBAAyD,CAAC,GAAG,CAAC;oBACjE,OAAO,CAAC,GAAG,CAAC,GAAG,KAAK,CAAC,GAAG,CAAE,qBAAyD,CAAC,GAAG,CAAC,EAAE,CAAC,CAAC,CAAC;aAChG;QACH,CAAC,CAAC,CAAC;QACH,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;KACzB;IACD,OAAO,SAAS,CAAC;AACnB,CAAC;AAeD,MAAM,UAAgB,mBAAmB;;QACvC,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,KAAK,EAAE,IAAI,EAAE,qBAAqB,EAAC,CAAC,CAAC;QAC7E,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;YACvB,MAAM,IAAI,KAAK,CAAC,2DAA2D,CAAC,CAAC;QAE/E,MAAM,GAAG,GAAsB,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAuB,CAAC;QAC/G,OAAO,GAAG,CAAC;IACb,CAAC;CAAA"}
@@ -1 +1 @@
1
- {"version":3,"file":"to-atomic-level.d.ts","sourceRoot":"","sources":["to-atomic-level.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAKtC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AAsHjC,kHAAkH;AAClH,wBAAsB,cAAc,CAClC,EAAE,EAAE,EAAE,CAAC,SAAS,EAAE,WAAW,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,eAAe,EAAE,GAAG,EAAE,GACvE,OAAO,CAAC,IAAI,CAAC,CA+Df;AAuQD;YACY;AACZ,wBAAgB,cAAc,CAAC,aAAa,EAAE,GAAG,EAAE,GAAG,MAAM,EAAE,CAe7D;AA+/BD,wBAAsB,2BAA2B,CAAC,eAAe,EAAE,GAAG,EAAE,GAAG,OAAO,CAAC,GAAG,CAAC,MAAM,EAAE,MAAM,CAAC,GAAG,SAAS,CAAC,CA6BlH;AAED,oFAAoF;AACpF,wBAAgB,iBAAiB,CAAC,OAAO,EAAE,OAAO,GAAG,MAAM,CAmB1D;AAID;;;;;GAKG;AACH,wBAAgB,mBAAmB,CACjC,UAAU,EAAE,MAAM,EAAE,EAAE,oDAAoD;AAC1E,qBAAqB,EAAE;IAAE,CAAC,MAAM,EAAE,MAAM,GAAG,MAAM,CAAA;CAAE,GAClD,MAAM,GAAG,IAAI,CAkBf"}
1
+ {"version":3,"file":"to-atomic-level.d.ts","sourceRoot":"","sources":["to-atomic-level.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAOtC,OAAO,EAAC,OAAO,EAAC,MAAM,UAAU,CAAC;AAsHjC,kHAAkH;AAClH,wBAAsB,cAAc,CAClC,EAAE,EAAE,EAAE,CAAC,SAAS,EAAE,WAAW,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,eAAe,EAAE,GAAG,EAAE,GACvE,OAAO,CAAC,IAAI,CAAC,CA+Df;AAuQD;YACY;AACZ,wBAAgB,cAAc,CAAC,aAAa,EAAE,GAAG,EAAE,GAAG,MAAM,EAAE,CAe7D;AA+/BD,wBAAsB,2BAA2B,CAAC,eAAe,EAAE,GAAG,EAAE,GAAG,OAAO,CAAC,GAAG,CAAC,MAAM,EAAE,MAAM,CAAC,GAAG,SAAS,CAAC,CA6BlH;AAED,oFAAoF;AACpF,wBAAgB,iBAAiB,CAAC,OAAO,EAAE,OAAO,GAAG,MAAM,CAmB1D;AAID;;;;;GAKG;AACH,wBAAgB,mBAAmB,CACjC,UAAU,EAAE,MAAM,EAAE,EAAE,oDAAoD;AAC1E,qBAAqB,EAAE;IAAE,CAAC,MAAM,EAAE,MAAM,GAAG,MAAM,CAAA;CAAE,GAClD,MAAM,GAAG,IAAI,CAkBf"}
@@ -11,8 +11,7 @@ var __awaiter = (this && this.__awaiter) || function (thisArg, _arguments, P, ge
11
11
  import * as grok from 'datagrok-api/grok';
12
12
  import * as DG from 'datagrok-api/dg';
13
13
  import { HELM_CORE_FIELDS } from '../utils/const';
14
- import { getSplitter } from '../utils/macromolecule';
15
- // import {UnitsHandler} from '../utils/units-handler';
14
+ import { getSplitter } from '../utils/macromolecule/utils';
16
15
  import { NotationConverter } from '../utils/notation-converter';
17
16
  import { errorToConsole } from '@datagrok-libraries/utils/src/to-console';
18
17
  // constants for parsing molfile V2000