@datagrok-libraries/bio 5.39.0 → 5.39.2
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.
- package/CHANGELOG.md +4 -0
- package/package.json +1 -1
- package/src/monomer-works/monomer-utils.d.ts +0 -3
- package/src/monomer-works/monomer-utils.d.ts.map +1 -1
- package/src/monomer-works/monomer-utils.js +1 -52
- package/src/monomer-works/monomer-utils.js.map +1 -1
- package/src/types/index.d.ts +1 -2
- package/src/types/index.d.ts.map +1 -1
- package/src/utils/const.d.ts +5 -5
- package/src/utils/const.d.ts.map +1 -1
- package/src/utils/const.js +11 -5
- package/src/utils/const.js.map +1 -1
- package/src/utils/macromolecule/utils.js +1 -1
- package/src/utils/macromolecule/utils.js.map +1 -1
- package/src/utils/poly-tool/monomer-lib-handler.d.ts +8 -0
- package/src/utils/poly-tool/monomer-lib-handler.d.ts.map +1 -0
- package/src/utils/poly-tool/monomer-lib-handler.js +91 -0
- package/src/utils/poly-tool/monomer-lib-handler.js.map +1 -0
- package/src/utils/types.d.ts +1 -1
- package/src/utils/types.d.ts.map +1 -1
package/CHANGELOG.md
CHANGED
package/package.json
CHANGED
|
@@ -7,9 +7,6 @@ export declare function getMolfilesFromSingleSeq(cell: DG.Cell, monomersLibObjec
|
|
|
7
7
|
export declare function createMomomersMolDict(lib: any[]): {
|
|
8
8
|
[key: string]: string | any;
|
|
9
9
|
};
|
|
10
|
-
export declare function isValidEnumeratorLib(json: any[]): boolean;
|
|
11
|
-
/** Specific to Enumerator for peptides */
|
|
12
|
-
export declare function getJsonMonomerLibForEnumerator(rawLib: any[]): any;
|
|
13
10
|
export declare function createJsonMonomerLibFromSdf(table: DG.DataFrame): any;
|
|
14
11
|
export interface IMonomerLibHelper {
|
|
15
12
|
/** Singleton monomer library */
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"monomer-utils.d.ts","sourceRoot":"","sources":["monomer-utils.ts"],"names":[],"mappings":"AACA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;
|
|
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,EAAC,MAAM,gBAAgB,CAAC;AAC3C,OAAO,EAAC,YAAY,EAAe,MAAM,8BAA8B,CAAC;AAIxE,wBAAgB,cAAc,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,GAAG,EAAE,CAAC,MAAM,GAAG,IAAI,CAuB/D;AAED,wBAAgB,kBAAkB,CAAC,GAAG,EAAE,EAAE,CAAC,MAAM,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAsB3F;AAED,wBAAgB,wBAAwB,CAAC,IAAI,EAAE,EAAE,CAAC,IAAI,EAAE,iBAAiB,EAAE,GAAG,EAAE,GAAG,GAAG,EAAE,EAAE,GAAG,IAAI,CAmBhG;AAED,wBAAgB,qBAAqB,CAAC,GAAG,EAAE,GAAG,EAAE,GAAG;IAAE,CAAC,GAAG,EAAE,MAAM,GAAG,MAAM,GAAG,GAAG,CAAA;CAAE,CAYjF;AAGD,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;AAED;;;;;0EAK0E;AAC1E,wBAAsB,sBAAsB,CAAC,WAAW,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,iBAAiB,EAAE,YAAY,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC;AAC1I,wBAAsB,sBAAsB,CAAC,eAAe,EAAE,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,EAAE,EAAE,iBAAiB,EAAE,YAAY,GAAG,OAAO,CAAC,EAAE,CAAC,MAAM,CAAC,MAAM,CAAC,CAAC,CAAC;AA0DhJ;;+KAE+K;AAC/K,wBAAsB,0BAA0B,CAAC,UAAU,EAAE,MAAM,EAAE,GAClE,OAAO,CAAC;IAAC,aAAa,EAAE,MAAM,EAAE,EAAE,CAAC;IAAC,eAAe,EAAE;QAAC,CAAC,SAAS,EAAE,MAAM,GAAG,MAAM,CAAA;KAAC,CAAA;CAAC,CAAC,CAoBtF"}
|
|
@@ -1,7 +1,7 @@
|
|
|
1
1
|
// import * as ui from 'datagrok-api/ui';
|
|
2
2
|
import * as DG from 'datagrok-api/dg';
|
|
3
3
|
import * as grok from 'datagrok-api/grok';
|
|
4
|
-
import { HELM_CORE_FIELDS, jsonSdfMonomerLibDict, MONOMER_ENCODE_MAX, MONOMER_ENCODE_MIN, SDF_MONOMER_NAME,
|
|
4
|
+
import { HELM_CORE_FIELDS, jsonSdfMonomerLibDict, MONOMER_ENCODE_MAX, MONOMER_ENCODE_MIN, SDF_MONOMER_NAME, } from '../utils/const';
|
|
5
5
|
import { UnitsHandler } from '../utils/units-handler';
|
|
6
6
|
import { splitAlignedSequences } from '../utils/splitter';
|
|
7
7
|
export function encodeMonomers(col) {
|
|
@@ -84,57 +84,6 @@ export function createMomomersMolDict(lib) {
|
|
|
84
84
|
});
|
|
85
85
|
return dict;
|
|
86
86
|
}
|
|
87
|
-
export function isValidEnumeratorLib(json) {
|
|
88
|
-
return json.every((entry) => {
|
|
89
|
-
return typeof entry === 'object' &&
|
|
90
|
-
Object.values(helmFieldsToEnumeratorInputFields).every((field) => {
|
|
91
|
-
return field in entry &&
|
|
92
|
-
typeof entry[field] === 'string';
|
|
93
|
-
});
|
|
94
|
-
});
|
|
95
|
-
}
|
|
96
|
-
/** Specific to Enumerator for peptides */
|
|
97
|
-
export function getJsonMonomerLibForEnumerator(rawLib) {
|
|
98
|
-
// todo
|
|
99
|
-
function validateMonomerLibWithSmiles() {
|
|
100
|
-
}
|
|
101
|
-
function restoreRgroupsInSmiles(rawSmiles) {
|
|
102
|
-
const regex = new RegExp('\\[r\\]', 'g');
|
|
103
|
-
let i = 0;
|
|
104
|
-
return rawSmiles.replace(regex, (match) => { ++i; return `[${i}*]`; });
|
|
105
|
-
}
|
|
106
|
-
function prepareOutputSmilesColValue(smilesWithRestoredRgroups) {
|
|
107
|
-
const result = smilesWithRestoredRgroups.replace('[1*]', '[H:1]');
|
|
108
|
-
return result.replace('[2*]', '[OH:2]');
|
|
109
|
-
}
|
|
110
|
-
function prepareMolblock(rawMolblock) {
|
|
111
|
-
return rawMolblock.replace('M ISO', 'M RGP');
|
|
112
|
-
}
|
|
113
|
-
const resultLib = [];
|
|
114
|
-
validateMonomerLibWithSmiles();
|
|
115
|
-
rawLib.forEach((rawMonomer) => {
|
|
116
|
-
const monomer = { ...dummyMonomer };
|
|
117
|
-
Object.entries(helmFieldsToEnumeratorInputFields).forEach(([key, value]) => {
|
|
118
|
-
const monomerSymbol = rawMonomer[value];
|
|
119
|
-
//@ts-ignore
|
|
120
|
-
monomer[key] = monomerSymbol;
|
|
121
|
-
});
|
|
122
|
-
let key = "smiles" /* HELM_FIELDS.SMILES */;
|
|
123
|
-
const rawSmiles = rawMonomer[helmFieldsToEnumeratorInputFields[key]];
|
|
124
|
-
const smilesWithRestoredRgroups = restoreRgroupsInSmiles(rawSmiles);
|
|
125
|
-
const smiles = prepareOutputSmilesColValue(smilesWithRestoredRgroups);
|
|
126
|
-
monomer[key] = smiles;
|
|
127
|
-
key = "rgroups" /* HELM_FIELDS.RGROUPS */;
|
|
128
|
-
monomer[key] = rGroupsDummy;
|
|
129
|
-
key = "molfile" /* HELM_FIELDS.MOLFILE */;
|
|
130
|
-
const smilesWithRgroups = restoreRgroupsInSmiles(rawSmiles);
|
|
131
|
-
const rawMolfile = DG.chem.convert(smilesWithRgroups, DG.chem.Notation.Smiles, DG.chem.Notation.MolBlock);
|
|
132
|
-
monomer[key] = prepareMolblock(rawMolfile);
|
|
133
|
-
resultLib.push(monomer);
|
|
134
|
-
});
|
|
135
|
-
console.log('resultLib:', resultLib);
|
|
136
|
-
return resultLib;
|
|
137
|
-
}
|
|
138
87
|
export function createJsonMonomerLibFromSdf(table) {
|
|
139
88
|
const resultLib = [];
|
|
140
89
|
for (let i = 0; i < table.rowCount; i++) {
|
|
@@ -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,EAAsB,qBAAqB,EACxE,kBAAkB,EAAE,kBAAkB,EAAE,gBAAgB,EACxD,iCAAiC,EAAE,YAAY,EAAE,YAAY,EAC9D,MAAM,gBAAgB,CAAC;AAGxB,OAAO,EAAC,YAAY,EAAC,MAAM,wBAAwB,CAAC;AACpD,OAAO,EAAC,qBAAqB,EAAC,MAAM,mBAAmB,CAAC;AAExD,MAAM,UAAU,cAAc,CAAC,GAAc;IAC3C,IAAI,YAAY,GAAG,kBAAkB,CAAC;IACtC,MAAM,iBAAiB,GAA8B,EAAE,CAAC;IACxD,MAAM,EAAE,GAAG,YAAY,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;IACzC,MAAM,YAAY,GAAiB,EAAE,CAAC,WAAW,EAAE,CAAC;IACpD,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,KAAK,MAAM,CAAC,IAAI,QAAQ,EAAE;YACxB,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;SACjE;QACD,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,EAAE,GAAG,YAAY,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;IACzC,MAAM,QAAQ,GAAiB,EAAE,CAAC,WAAW,EAAE,CAAC;IAChD,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,QAAQ,CAAC,aAAa,CAAC,CAAC;QACzC,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,EAAE,GAAG,YAAY,CAAC,WAAW,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;IACjD,MAAM,YAAY,GAAiB,EAAE,CAAC,WAAW,EAAE,CAAC;IACpD,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,oBAAoB,CAAC,IAAW;IAC9C,OAAO,IAAI,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;QAC1B,OAAO,OAAO,KAAK,KAAK,QAAQ;YAC9B,MAAM,CAAC,MAAM,CAAC,iCAAiC,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;gBAC/D,OAAO,KAAK,IAAI,KAAK;oBACnB,OAAO,KAAK,CAAC,KAAK,CAAC,KAAK,QAAQ,CAAC;YACrC,CAAC,CAAC,CAAC;IACP,CAAC,CAAC,CAAC;AACL,CAAC;AAED,0CAA0C;AAC1C,MAAM,UAAU,8BAA8B,CAAC,MAAa;IAC1D,OAAO;IACP,SAAS,4BAA4B;IACrC,CAAC;IAED,SAAS,sBAAsB,CAAC,SAAiB;QAC/C,MAAM,KAAK,GAAG,IAAI,MAAM,CAAC,SAAS,EAAE,GAAG,CAAC,CAAC;QACzC,IAAI,CAAC,GAAG,CAAC,CAAC;QACV,OAAO,SAAS,CAAC,OAAO,CAAC,KAAK,EAAE,CAAC,KAAK,EAAE,EAAE,GAAG,EAAE,CAAC,CAAC,CAAC,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;IACzE,CAAC;IAED,SAAS,2BAA2B,CAAC,yBAAiC;QACpE,MAAM,MAAM,GAAG,yBAAyB,CAAC,OAAO,CAAC,MAAM,EAAE,OAAO,CAAC,CAAC;QAClE,OAAO,MAAM,CAAC,OAAO,CAAC,MAAM,EAAE,QAAQ,CAAC,CAAC;IAC1C,CAAC;IAED,SAAS,eAAe,CAAC,WAAmB;QAC1C,OAAO,WAAW,CAAC,OAAO,CAAC,QAAQ,EAAE,QAAQ,CAAC,CAAC;IACjD,CAAC;IAED,MAAM,SAAS,GAAU,EAAE,CAAC;IAC5B,4BAA4B,EAAE,CAAC;IAE/B,MAAM,CAAC,OAAO,CAAC,CAAC,UAAU,EAAE,EAAE;QAC5B,MAAM,OAAO,GAAY,EAAC,GAAG,YAAY,EAAC,CAAC;QAE3C,MAAM,CAAC,OAAO,CAAC,iCAAiC,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,EAAE,KAAK,CAAC,EAAE,EAAE;YACzE,MAAM,aAAa,GAAG,UAAU,CAAC,KAAK,CAAW,CAAC;YAClD,YAAY;YACZ,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,CAAC;QAC/B,CAAC,CAAC,CAAC;QAEH,IAAI,GAAG,oCAAqB,CAAC;QAC7B,MAAM,SAAS,GAAG,UAAU,CAAC,iCAAiC,CAAC,GAAG,CAAC,CAAC,CAAC;QACrE,MAAM,yBAAyB,GAAG,sBAAsB,CAAC,SAAS,CAAC,CAAC;QACpE,MAAM,MAAM,GAAG,2BAA2B,CAAC,yBAAyB,CAAC,CAAC;QACtE,OAAO,CAAC,GAAG,CAAC,GAAG,MAAM,CAAC;QAEtB,GAAG,sCAAsB,CAAC;QAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,YAAY,CAAC;QAE5B,GAAG,sCAAsB,CAAC;QAC1B,MAAM,iBAAiB,GAAG,sBAAsB,CAAC,SAAS,CAAC,CAAC;QAC5D,MAAM,UAAU,GAAG,EAAE,CAAC,IAAI,CAAC,OAAO,CAAC,iBAAiB,EAAE,EAAE,CAAC,IAAI,CAAC,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,IAAI,CAAC,QAAQ,CAAC,QAAQ,CAAC,CAAC;QAC1G,OAAO,CAAC,GAAG,CAAC,GAAG,eAAe,CAAC,UAAU,CAAC,CAAC;QAE3C,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;IAC1B,CAAC,CAAC,CAAC;IACH,OAAO,CAAC,GAAG,CAAC,YAAY,EAAE,SAAS,CAAC,CAAC;IACrC,OAAO,SAAS,CAAC;AACnB,CAAC;AAGD,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,4DAAqC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,MAAM,UAAU,MAAM,CAAC,CAAC,CAAC,OAAO,UAAU,GAAG,CAAC;oBAC9G,MAAM,qDAAiC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,IAAI,UAAU,IAAI,CAAC,CAAC,CAAC,IAAI,UAAU,KAAK,CAAC;oBACrG,MAAM,wDAAmC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC;oBACzE,MAAM,wCAA0B,GAAG,IAAI,UAAU,EAAE,CAAC;oBACpD,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,CAAC,KAAK,UAAU,mBAAmB;IACvC,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,KAAK,EAAE,IAAI,EAAE,qBAAqB,EAAC,CAAC,CAAC;IAC7E,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QACvB,MAAM,IAAI,KAAK,CAAC,uDAAuD,CAAC,CAAC;IAE3E,MAAM,GAAG,GAAsB,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAuB,CAAC;IAC/G,OAAO,GAAG,CAAC;AACb,CAAC;AAUD,MAAM,CAAC,KAAK,UAAU,sBAAsB,CAAC,eAAwD,EACnG,iBAA+B;IAC/B,IAAI,eAAe,YAAY,EAAE,CAAC,MAAM;QACtC,eAAe,GAAG,qBAAqB,CAAC,eAAe,CAAC,CAAC,OAAO,CAAC,MAAM,EAAE,CAAC;IAE5E,MAAM,SAAS,GAAG,MAAM,mBAAmB,EAAE,CAAC;IAC9C,MAAM,UAAU,GAAG,SAAS,CAAC,SAAS,EAAE,CAAC;IACzC,yEAAyE;IACzE,MAAM,OAAO,GAAoE,IAAI,KAAK,CAAC,eAAe,CAAC,MAAM,CAAC,CAAC;IACnH,MAAM,QAAQ,GAAG,eAAe,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IAC3C,MAAM,eAAe,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAEnD,4BAA4B;IAC5B,KAAK,IAAI,QAAQ,GAAG,CAAC,EAAE,QAAQ,GAAG,eAAe,CAAC,MAAM,EAAE,EAAE,QAAQ,EAAE;QACpE,MAAM,gBAAgB,GAAG,iBAAiB,CAAC,QAAQ,CAAC,CAAC;QACrD,MAAM,YAAY,GAAG,UAAU,CAAC,UAAU,CAAC,SAAS,EAAE,gBAAgB,CAAC,EAAE,MAAM,IAAI,EAAE,CAAC;QAEtF,MAAM,UAAU,GAAG,eAAe,CAAC,QAAQ,CAAC,CAAC;QAC7C,MAAM,cAAc,GAAG,UAAU,CAAC,UAAU,EAAiB,CAAC;QAC9D,MAAM,oBAAoB,GAAG,UAAU,CAAC,UAAU,CAAC;QACnD,MAAM,gBAAgB,GAAG,oBAAoB,CAAC,OAAO,CAAC,EAAE,CAAC,CAAC;QAC1D,OAAO,CAAC,QAAQ,CAAC,GAAG,EAAC,UAAU,EAAE,oBAAoB,EAAE,IAAI,EAAE,cAAc,EAAE,UAAU,EAAE,gBAAgB,EAAC,CAAC;QAC3G,IAAI,OAAO,gBAAgB,KAAK,WAAW;YACzC,SAAS;QAEX,8BAA8B;QAC9B,MAAM,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,WAAW,CAAC,QAAQ,EAC3C,oBAAoB,CAAC,GAAG,CAAC,CAAC,GAAG,EAAE,EAAE,CAAC,UAAU,CAAC,UAAU,CAAC,SAAS,EAAE,GAAG,CAAC,EAAE,MAAM,IAAI,EAAE,CAAC,CAAC,CAAC;QAC1F,MAAM,GAAG,GAAG,EAAE,CAAC,SAAS,CAAC,WAAW,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,sDAAsD;QACtG,MAAM,aAAa,GAAG,CAAC,MAAM,IAAI,CAAC,IAAI,CAAC,eAAe,CAAC,MAAM,EAAE,YAAY,CAAC,CAAE,CAAC;QAC/E,MAAM,iBAAiB,GAAG,aAAa,CAAC,UAAU,EAAE,CAAC;QAErD,KAAK,IAAI,MAAM,GAAG,CAAC,EAAE,MAAM,GAAG,QAAQ,EAAE,EAAE,MAAM,EAAE;YAChD,MAAM,kBAAkB,GAAG,cAAc,CAAC,MAAM,CAAC,CAAC;YAClD,eAAe,CAAC,MAAM,CAAC,IAAI,gBAAgB,KAAK,EAAE,IAAI,kBAAkB,KAAK,gBAAgB,CAAC,CAAC;gBAC7F,iBAAiB,CAAC,kBAAkB,CAAC,CAAC,CAAC;gBACvC,gBAAgB,KAAK,EAAE,IAAI,kBAAkB,KAAK,gBAAgB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;SAC9E;KACF;IAED,KAAK,IAAI,eAAe,GAAG,CAAC,EAAE,eAAe,GAAG,eAAe,CAAC,MAAM,EAAE,EAAE,eAAe,EAAE;QACzF,IAAI,iBAAiB,GAAG,eAAe,CAAC,eAAe,CAAC,GAAG,iBAAiB,CAAC,MAAM,CAAC;QACpF,KAAK,IAAI,QAAQ,GAAG,CAAC,EAAE,QAAQ,GAAG,eAAe,CAAC,MAAM,EAAE,EAAE,QAAQ,EAAE;YACpE,MAAM,aAAa,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YACxC,IAAI,CAAC,QAAQ,IAAI,iBAAiB,CAAC,MAAM,IAAI,aAAa,CAAC,IAAI,CAAC,eAAe,CAAC,KAAK,aAAa,CAAC,UAAU,CAAC;gBAC5G,CAAC,aAAa,CAAC,IAAI,CAAC,eAAe,CAAC,KAAK,aAAa,CAAC,UAAU,IAAI,QAAQ,GAAG,iBAAiB,CAAC,MAAM,CAAC,EAAE;gBAC3G,iBAAiB,GAAG,EAAE,CAAC,UAAU,CAAC;gBAClC,MAAM;aACP;SACF;QACD,eAAe,CAAC,eAAe,CAAC,GAAG,iBAAiB,CAAC;KACtD;IAED,MAAM,aAAa,GAAG,EAAE,CAAC,MAAM,CAAC,gBAAgB,CAAC,YAAY,EAAE,eAAe,CAAC,CAAC;IAChF,OAAO,aAAa,CAAC;AACvB,CAAC;AAED;;+KAE+K;AAC/K,MAAM,CAAC,KAAK,UAAU,0BAA0B,CAAC,UAAoB;IAEnE,MAAM,SAAS,GAAG,MAAM,mBAAmB,EAAE,CAAC;IAC9C,MAAM,UAAU,GAAG,SAAS,CAAC,SAAS,EAAE,CAAC;IACzC,MAAM,aAAa,GAAe,EAAE,CAAC;IACrC,MAAM,eAAe,GAA2B,EAAE,CAAC;IACnD,MAAM,gBAAgB,GAAG,UAAU,CAAC,GAAG,CAAC,CAAC,OAAO,EAAE,EAAE,CAAC,UAAU,CAAC,UAAU,CAAC,SAAS,EAAE,OAAO,CAAC,EAAE,MAAM,IAAI,EAAE,CAAC,CAAC;IAC9G,MAAM,mBAAmB,GAAG,EAAE,CAAC,MAAM,CAAC,WAAW,CAAC,QAAQ,EAAE,gBAAgB,CAAC,CAAC;IAE9E,KAAK,IAAI,YAAY,GAAG,CAAC,EAAE,YAAY,GAAG,gBAAgB,CAAC,MAAM,EAAE,EAAE,YAAY,EAAE;QACjF,MAAM,OAAO,GAAG,UAAU,CAAC,YAAY,CAAC,CAAC;QACzC,eAAe,CAAC,OAAO,CAAC,GAAG,YAAY,CAAC;QACxC,MAAM,UAAU,GAAG,gBAAgB,CAAC,YAAY,CAAC,CAAC;QAClD,MAAM,gBAAgB,GAAG,UAAU,KAAK,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,CAAC,gBAAgB,CAAC,MAAM,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;YACvF,CAAC,MAAM,IAAI,CAAC,IAAI,CAAC,eAAe,CAAC,mBAAmB,EAAE,UAAU,CAAC,CAAE,CAAC,UAAU,EAAE,CAAC;QACnF,gBAAgB,CAAC,YAAY,CAAC,GAAG,CAAC,CAAC;QAEnC,aAAa,CAAC,YAAY,CAAC,GAAG,KAAK,CAAC,IAAI,CAAC,gBAAgB,CAAC,CAAC;KAC5D;IAED,OAAO,EAAC,aAAa,EAAE,eAAe,EAAC,CAAC;AAC1C,CAAC"}
|
|
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,EAAsB,qBAAqB,EACxE,kBAAkB,EAAE,kBAAkB,EAAE,gBAAgB,GACzD,MAAM,gBAAgB,CAAC;AAGxB,OAAO,EAAC,YAAY,EAAC,MAAM,wBAAwB,CAAC;AACpD,OAAO,EAAC,qBAAqB,EAAC,MAAM,mBAAmB,CAAC;AAExD,MAAM,UAAU,cAAc,CAAC,GAAc;IAC3C,IAAI,YAAY,GAAG,kBAAkB,CAAC;IACtC,MAAM,iBAAiB,GAA8B,EAAE,CAAC;IACxD,MAAM,EAAE,GAAG,YAAY,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;IACzC,MAAM,YAAY,GAAiB,EAAE,CAAC,WAAW,EAAE,CAAC;IACpD,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,KAAK,MAAM,CAAC,IAAI,QAAQ,EAAE;YACxB,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;SACjE;QACD,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,EAAE,GAAG,YAAY,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;IACzC,MAAM,QAAQ,GAAiB,EAAE,CAAC,WAAW,EAAE,CAAC;IAChD,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,QAAQ,CAAC,aAAa,CAAC,CAAC;QACzC,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,EAAE,GAAG,YAAY,CAAC,WAAW,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC;IACjD,MAAM,YAAY,GAAiB,EAAE,CAAC,WAAW,EAAE,CAAC;IACpD,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;AAGD,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,4DAAqC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,MAAM,UAAU,MAAM,CAAC,CAAC,CAAC,OAAO,UAAU,GAAG,CAAC;oBAC9G,MAAM,qDAAiC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,IAAI,UAAU,IAAI,CAAC,CAAC,CAAC,IAAI,UAAU,KAAK,CAAC;oBACrG,MAAM,wDAAmC,GAAG,OAAO,KAAK,GAAG,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,IAAI,CAAC;oBACzE,MAAM,wCAA0B,GAAG,IAAI,UAAU,EAAE,CAAC;oBACpD,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,CAAC,KAAK,UAAU,mBAAmB;IACvC,MAAM,QAAQ,GAAG,EAAE,CAAC,IAAI,CAAC,IAAI,CAAC,EAAC,OAAO,EAAE,KAAK,EAAE,IAAI,EAAE,qBAAqB,EAAC,CAAC,CAAC;IAC7E,IAAI,QAAQ,CAAC,MAAM,KAAK,CAAC;QACvB,MAAM,IAAI,KAAK,CAAC,uDAAuD,CAAC,CAAC;IAE3E,MAAM,GAAG,GAAsB,CAAC,MAAM,QAAQ,CAAC,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC,IAAI,EAAE,CAAC,CAAC,mBAAmB,EAAuB,CAAC;IAC/G,OAAO,GAAG,CAAC;AACb,CAAC;AAUD,MAAM,CAAC,KAAK,UAAU,sBAAsB,CAAC,eAAwD,EACnG,iBAA+B;IAC/B,IAAI,eAAe,YAAY,EAAE,CAAC,MAAM;QACtC,eAAe,GAAG,qBAAqB,CAAC,eAAe,CAAC,CAAC,OAAO,CAAC,MAAM,EAAE,CAAC;IAE5E,MAAM,SAAS,GAAG,MAAM,mBAAmB,EAAE,CAAC;IAC9C,MAAM,UAAU,GAAG,SAAS,CAAC,SAAS,EAAE,CAAC;IACzC,yEAAyE;IACzE,MAAM,OAAO,GAAoE,IAAI,KAAK,CAAC,eAAe,CAAC,MAAM,CAAC,CAAC;IACnH,MAAM,QAAQ,GAAG,eAAe,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IAC3C,MAAM,eAAe,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAEnD,4BAA4B;IAC5B,KAAK,IAAI,QAAQ,GAAG,CAAC,EAAE,QAAQ,GAAG,eAAe,CAAC,MAAM,EAAE,EAAE,QAAQ,EAAE;QACpE,MAAM,gBAAgB,GAAG,iBAAiB,CAAC,QAAQ,CAAC,CAAC;QACrD,MAAM,YAAY,GAAG,UAAU,CAAC,UAAU,CAAC,SAAS,EAAE,gBAAgB,CAAC,EAAE,MAAM,IAAI,EAAE,CAAC;QAEtF,MAAM,UAAU,GAAG,eAAe,CAAC,QAAQ,CAAC,CAAC;QAC7C,MAAM,cAAc,GAAG,UAAU,CAAC,UAAU,EAAiB,CAAC;QAC9D,MAAM,oBAAoB,GAAG,UAAU,CAAC,UAAU,CAAC;QACnD,MAAM,gBAAgB,GAAG,oBAAoB,CAAC,OAAO,CAAC,EAAE,CAAC,CAAC;QAC1D,OAAO,CAAC,QAAQ,CAAC,GAAG,EAAC,UAAU,EAAE,oBAAoB,EAAE,IAAI,EAAE,cAAc,EAAE,UAAU,EAAE,gBAAgB,EAAC,CAAC;QAC3G,IAAI,OAAO,gBAAgB,KAAK,WAAW;YACzC,SAAS;QAEX,8BAA8B;QAC9B,MAAM,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC,WAAW,CAAC,QAAQ,EAC3C,oBAAoB,CAAC,GAAG,CAAC,CAAC,GAAG,EAAE,EAAE,CAAC,UAAU,CAAC,UAAU,CAAC,SAAS,EAAE,GAAG,CAAC,EAAE,MAAM,IAAI,EAAE,CAAC,CAAC,CAAC;QAC1F,MAAM,GAAG,GAAG,EAAE,CAAC,SAAS,CAAC,WAAW,CAAC,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,sDAAsD;QACtG,MAAM,aAAa,GAAG,CAAC,MAAM,IAAI,CAAC,IAAI,CAAC,eAAe,CAAC,MAAM,EAAE,YAAY,CAAC,CAAE,CAAC;QAC/E,MAAM,iBAAiB,GAAG,aAAa,CAAC,UAAU,EAAE,CAAC;QAErD,KAAK,IAAI,MAAM,GAAG,CAAC,EAAE,MAAM,GAAG,QAAQ,EAAE,EAAE,MAAM,EAAE;YAChD,MAAM,kBAAkB,GAAG,cAAc,CAAC,MAAM,CAAC,CAAC;YAClD,eAAe,CAAC,MAAM,CAAC,IAAI,gBAAgB,KAAK,EAAE,IAAI,kBAAkB,KAAK,gBAAgB,CAAC,CAAC;gBAC7F,iBAAiB,CAAC,kBAAkB,CAAC,CAAC,CAAC;gBACvC,gBAAgB,KAAK,EAAE,IAAI,kBAAkB,KAAK,gBAAgB,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;SAC9E;KACF;IAED,KAAK,IAAI,eAAe,GAAG,CAAC,EAAE,eAAe,GAAG,eAAe,CAAC,MAAM,EAAE,EAAE,eAAe,EAAE;QACzF,IAAI,iBAAiB,GAAG,eAAe,CAAC,eAAe,CAAC,GAAG,iBAAiB,CAAC,MAAM,CAAC;QACpF,KAAK,IAAI,QAAQ,GAAG,CAAC,EAAE,QAAQ,GAAG,eAAe,CAAC,MAAM,EAAE,EAAE,QAAQ,EAAE;YACpE,MAAM,aAAa,GAAG,OAAO,CAAC,QAAQ,CAAC,CAAC;YACxC,IAAI,CAAC,QAAQ,IAAI,iBAAiB,CAAC,MAAM,IAAI,aAAa,CAAC,IAAI,CAAC,eAAe,CAAC,KAAK,aAAa,CAAC,UAAU,CAAC;gBAC5G,CAAC,aAAa,CAAC,IAAI,CAAC,eAAe,CAAC,KAAK,aAAa,CAAC,UAAU,IAAI,QAAQ,GAAG,iBAAiB,CAAC,MAAM,CAAC,EAAE;gBAC3G,iBAAiB,GAAG,EAAE,CAAC,UAAU,CAAC;gBAClC,MAAM;aACP;SACF;QACD,eAAe,CAAC,eAAe,CAAC,GAAG,iBAAiB,CAAC;KACtD;IAED,MAAM,aAAa,GAAG,EAAE,CAAC,MAAM,CAAC,gBAAgB,CAAC,YAAY,EAAE,eAAe,CAAC,CAAC;IAChF,OAAO,aAAa,CAAC;AACvB,CAAC;AAED;;+KAE+K;AAC/K,MAAM,CAAC,KAAK,UAAU,0BAA0B,CAAC,UAAoB;IAEnE,MAAM,SAAS,GAAG,MAAM,mBAAmB,EAAE,CAAC;IAC9C,MAAM,UAAU,GAAG,SAAS,CAAC,SAAS,EAAE,CAAC;IACzC,MAAM,aAAa,GAAe,EAAE,CAAC;IACrC,MAAM,eAAe,GAA2B,EAAE,CAAC;IACnD,MAAM,gBAAgB,GAAG,UAAU,CAAC,GAAG,CAAC,CAAC,OAAO,EAAE,EAAE,CAAC,UAAU,CAAC,UAAU,CAAC,SAAS,EAAE,OAAO,CAAC,EAAE,MAAM,IAAI,EAAE,CAAC,CAAC;IAC9G,MAAM,mBAAmB,GAAG,EAAE,CAAC,MAAM,CAAC,WAAW,CAAC,QAAQ,EAAE,gBAAgB,CAAC,CAAC;IAE9E,KAAK,IAAI,YAAY,GAAG,CAAC,EAAE,YAAY,GAAG,gBAAgB,CAAC,MAAM,EAAE,EAAE,YAAY,EAAE;QACjF,MAAM,OAAO,GAAG,UAAU,CAAC,YAAY,CAAC,CAAC;QACzC,eAAe,CAAC,OAAO,CAAC,GAAG,YAAY,CAAC;QACxC,MAAM,UAAU,GAAG,gBAAgB,CAAC,YAAY,CAAC,CAAC;QAClD,MAAM,gBAAgB,GAAG,UAAU,KAAK,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,CAAC,gBAAgB,CAAC,MAAM,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;YACvF,CAAC,MAAM,IAAI,CAAC,IAAI,CAAC,eAAe,CAAC,mBAAmB,EAAE,UAAU,CAAC,CAAE,CAAC,UAAU,EAAE,CAAC;QACnF,gBAAgB,CAAC,YAAY,CAAC,GAAG,CAAC,CAAC;QAEnC,aAAa,CAAC,YAAY,CAAC,GAAG,KAAK,CAAC,IAAI,CAAC,gBAAgB,CAAC,CAAC;KAC5D;IAED,OAAO,EAAC,aAAa,EAAE,eAAe,EAAC,CAAC;AAC1C,CAAC"}
|
package/src/types/index.d.ts
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
import { Observable } from 'rxjs';
|
|
2
2
|
import { HELM_REQUIRED_FIELDS as REQ, HELM_RGROUP_FIELDS as RGP, HELM_OPTIONAL_FIELDS as OPT } from '../utils/const';
|
|
3
|
-
type RGroup = {
|
|
3
|
+
export type RGroup = {
|
|
4
4
|
[RGP.CAP_GROUP_SMILES]: string;
|
|
5
5
|
[RGP.ALTERNATE_ID]: string;
|
|
6
6
|
[RGP.CAP_GROUP_NAME]: string;
|
|
@@ -34,5 +34,4 @@ export interface IMonomerLib {
|
|
|
34
34
|
update(lib: IMonomerLib): void;
|
|
35
35
|
get onChanged(): Observable<any>;
|
|
36
36
|
}
|
|
37
|
-
export {};
|
|
38
37
|
//# sourceMappingURL=index.d.ts.map
|
package/src/types/index.d.ts.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["index.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,UAAU,EAAC,MAAM,MAAM,CAAC;AAChC,OAAO,EACL,oBAAoB,IAAI,GAAG,EAC3B,kBAAkB,IAAI,GAAG,EAAE,oBAAoB,IAAI,GAAG,EACvD,MAAM,gBAAgB,CAAC;AAExB,
|
|
1
|
+
{"version":3,"file":"index.d.ts","sourceRoot":"","sources":["index.ts"],"names":[],"mappings":"AAIA,OAAO,EAAC,UAAU,EAAC,MAAM,MAAM,CAAC;AAChC,OAAO,EACL,oBAAoB,IAAI,GAAG,EAC3B,kBAAkB,IAAI,GAAG,EAAE,oBAAoB,IAAI,GAAG,EACvD,MAAM,gBAAgB,CAAC;AAExB,MAAM,MAAM,MAAM,GAAG;IACnB,CAAC,GAAG,CAAC,gBAAgB,CAAC,EAAE,MAAM,CAAC;IAC/B,CAAC,GAAG,CAAC,YAAY,CAAC,EAAE,MAAM,CAAC;IAC3B,CAAC,GAAG,CAAC,cAAc,CAAC,EAAE,MAAM,CAAC;IAC7B,CAAC,GAAG,CAAC,KAAK,CAAC,EAAE,MAAM,CAAC;CACrB,CAAA;AACD,MAAM,MAAM,OAAO,GAAG;IACpB,CAAC,GAAG,CAAC,MAAM,CAAC,EAAE,MAAM,CAAC;IACrB,CAAC,GAAG,CAAC,IAAI,CAAC,EAAE,MAAM,CAAC;IACnB,CAAC,GAAG,CAAC,OAAO,CAAC,EAAE,MAAM,CAAC;IACtB,CAAC,GAAG,CAAC,MAAM,CAAC,EAAE,MAAM,CAAC;IACrB,CAAC,GAAG,CAAC,EAAE,CAAC,EAAE,MAAM,CAAC;IACjB,CAAC,GAAG,CAAC,OAAO,CAAC,EAAE,MAAM,EAAE,CAAC;IACxB,CAAC,GAAG,CAAC,MAAM,CAAC,EAAE,MAAM,CAAC;IACrB,CAAC,GAAG,CAAC,YAAY,CAAC,EAAE,MAAM,CAAC;IAC3B,CAAC,GAAG,CAAC,YAAY,CAAC,EAAE,MAAM,CAAC;IAC3B,CAAC,GAAG,CAAC,WAAW,CAAC,EAAE,MAAM,GAAG,IAAI,CAAC;IACjC,CAAC,GAAG,CAAC,cAAc,CAAC,CAAC,EAAE,MAAM,CAAC;IAC9B,CAAC,GAAG,CAAC,IAAI,CAAC,CAAC,EAAE;QAAE,CAAC,QAAQ,EAAE,MAAM,GAAG,GAAG,CAAA;KAAE,CAAA;CACzC,CAAC;AAEF,MAAM,WAAW,WAAW;IAC1B,IAAI,KAAK,IAAI,MAAM,GAAG,SAAS,CAAC;IAChC,UAAU,CAAC,WAAW,EAAE,MAAM,EAAE,aAAa,EAAE,MAAM,GAAG,OAAO,GAAG,IAAI,CAAC;IACvE,2BAA2B,CAAC,WAAW,EAAE,MAAM,GAAG;QAAE,CAAC,aAAa,EAAE,MAAM,GAAG,MAAM,CAAA;KAAE,GAAG,IAAI,CAAC;IAC7F,yBAAyB,CAAC,YAAY,EAAE,MAAM,EAAE,WAAW,EAAE,MAAM,EAAE,OAAO,CAAC,EAAE,MAAM,GAAG,MAAM,EAAE,CAAC;IACjG,uBAAuB,CAAC,WAAW,EAAE,MAAM,GAAG,MAAM,EAAE,CAAC;IACvD,eAAe,IAAI,MAAM,EAAE,CAAC;IAC5B,MAAM,CAAC,GAAG,EAAE,WAAW,GAAG,IAAI,CAAC;IAC/B,IAAI,SAAS,IAAI,UAAU,CAAC,GAAG,CAAC,CAAC;CAClC"}
|
package/src/utils/const.d.ts
CHANGED
|
@@ -48,14 +48,14 @@ export declare const enum HELM_MONOMER_TYPE {
|
|
|
48
48
|
}
|
|
49
49
|
export declare const HELM_CORE_FIELDS: HELM_FIELDS[];
|
|
50
50
|
export declare const SDF_MONOMER_NAME = "MonomerName";
|
|
51
|
-
/** For
|
|
52
|
-
export declare const
|
|
51
|
+
/** For PolyTool */
|
|
52
|
+
export declare const helmFieldsToPolyToolInputFields: {
|
|
53
53
|
symbol: string;
|
|
54
54
|
name: string;
|
|
55
55
|
smiles: string;
|
|
56
56
|
};
|
|
57
|
-
/** For
|
|
58
|
-
export declare const
|
|
57
|
+
/** For PolyTool */
|
|
58
|
+
export declare const R_GROUP_BLOCK_DUMMY: {
|
|
59
59
|
capGroupSmiles: string;
|
|
60
60
|
alternateId: string;
|
|
61
61
|
capGroupName: string;
|
|
@@ -74,7 +74,7 @@ export declare const jsonSdfMonomerLibDict: {
|
|
|
74
74
|
polymerType: string;
|
|
75
75
|
symbol: string;
|
|
76
76
|
};
|
|
77
|
-
export declare const
|
|
77
|
+
export declare const DUMMY_MONOMER: {
|
|
78
78
|
monomerType: string;
|
|
79
79
|
smiles: string;
|
|
80
80
|
name: string;
|
package/src/utils/const.d.ts.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"const.d.ts","sourceRoot":"","sources":["const.ts"],"names":[],"mappings":"AAIA,eAAO,MAAM,sBAAsB,+BAA+B,CAAC;AAEnE;uFACuF;AACvF,0BAAkB,oBAAoB;IACpC,MAAM,WAAW;IACjB,IAAI,SAAS;IACb,OAAO,YAAY;IACnB,MAAM,WAAW;IACjB,EAAE,OAAO;IACT,OAAO,YAAY;IACnB,MAAM,WAAW;IACjB,YAAY,gBAAgB;IAC5B,YAAY,gBAAgB;IAC5B,WAAW,eAAe;CAC3B;AAED,0BAAkB,oBAAoB;IACpC,cAAc,kBAAkB;IAChC,IAAI,SAAS;CACd;AAED,0BAAkB,WAAW;IAC3B,YAAY,gBAAgB;IAC5B,MAAM,WAAW;IACjB,IAAI,SAAS;IACb,MAAM,WAAW;IACjB,OAAO,YAAY;IACnB,cAAc,kBAAkB;IAChC,OAAO,YAAY;IACnB,WAAW,eAAe;IAC1B,EAAE,OAAO;IACT,YAAY,gBAAgB;IAC5B,MAAM,WAAW;CAClB;AAGD,0BAAkB,kBAAkB;IAClC,gBAAgB,mBAAmB;IACnC,0BAA0B,mBAAmB;IAC7C,YAAY,gBAAgB;IAC5B,cAAc,iBAAiB;IAC/B,KAAK,UAAU;CAChB;AAGD,0BAAkB,iBAAiB;IACjC,OAAO,YAAY;IACnB,GAAG,QAAQ;CACZ;AAED,0BAAkB,iBAAiB;IACjC,QAAQ,aAAa;IACrB,QAAQ,aAAa;IACrB,MAAM,WAAW;CAClB;AAGD,eAAO,MAAM,gBAAgB,eAO5B,CAAC;AAEF,eAAO,MAAM,gBAAgB,gBAAgB,CAAC;AAE9C,
|
|
1
|
+
{"version":3,"file":"const.d.ts","sourceRoot":"","sources":["const.ts"],"names":[],"mappings":"AAIA,eAAO,MAAM,sBAAsB,+BAA+B,CAAC;AAEnE;uFACuF;AACvF,0BAAkB,oBAAoB;IACpC,MAAM,WAAW;IACjB,IAAI,SAAS;IACb,OAAO,YAAY;IACnB,MAAM,WAAW;IACjB,EAAE,OAAO;IACT,OAAO,YAAY;IACnB,MAAM,WAAW;IACjB,YAAY,gBAAgB;IAC5B,YAAY,gBAAgB;IAC5B,WAAW,eAAe;CAC3B;AAED,0BAAkB,oBAAoB;IACpC,cAAc,kBAAkB;IAChC,IAAI,SAAS;CACd;AAED,0BAAkB,WAAW;IAC3B,YAAY,gBAAgB;IAC5B,MAAM,WAAW;IACjB,IAAI,SAAS;IACb,MAAM,WAAW;IACjB,OAAO,YAAY;IACnB,cAAc,kBAAkB;IAChC,OAAO,YAAY;IACnB,WAAW,eAAe;IAC1B,EAAE,OAAO;IACT,YAAY,gBAAgB;IAC5B,MAAM,WAAW;CAClB;AAGD,0BAAkB,kBAAkB;IAClC,gBAAgB,mBAAmB;IACnC,0BAA0B,mBAAmB;IAC7C,YAAY,gBAAgB;IAC5B,cAAc,iBAAiB;IAC/B,KAAK,UAAU;CAChB;AAGD,0BAAkB,iBAAiB;IACjC,OAAO,YAAY;IACnB,GAAG,QAAQ;CACZ;AAED,0BAAkB,iBAAiB;IACjC,QAAQ,aAAa;IACrB,QAAQ,aAAa;IACrB,MAAM,WAAW;CAClB;AAGD,eAAO,MAAM,gBAAgB,eAO5B,CAAC;AAEF,eAAO,MAAM,gBAAgB,gBAAgB,CAAC;AAE9C,oBAAoB;AACpB,eAAO,MAAM,+BAA+B;;;;CAI3C,CAAC;AAEF,oBAAoB;AACpB,eAAO,MAAM,mBAAmB;;;;;GAmB/B,CAAC;AAGF,eAAO,MAAM,qBAAqB;;;;;;;;;;;;CAYjC,CAAC;AAEF,eAAO,MAAM,aAAa;;;;;;;;;;;;CAYzB,CAAC;AAEF,eAAO,MAAM,kBAAkB,MAAQ,CAAC;AACxC,eAAO,MAAM,kBAAkB,OAAQ,CAAC;AAExC,eAAO,MAAM,aAAa,MAAM,CAAC;AACjC,eAAO,MAAM,kBAAkB,MAAM,CAAC;AACtC,eAAO,MAAM,gBAAgB,MAAM,CAAC;AACpC,eAAO,MAAM,oBAAoB,QAGhC,CAAC"}
|
package/src/utils/const.js
CHANGED
|
@@ -9,14 +9,14 @@ export const HELM_CORE_FIELDS = [
|
|
|
9
9
|
// supported
|
|
10
10
|
];
|
|
11
11
|
export const SDF_MONOMER_NAME = 'MonomerName';
|
|
12
|
-
/** For
|
|
13
|
-
export const
|
|
12
|
+
/** For PolyTool */
|
|
13
|
+
export const helmFieldsToPolyToolInputFields = {
|
|
14
14
|
["symbol" /* HELM_REQUIRED_FIELDS.SYMBOL */]: 'Short Name',
|
|
15
15
|
["name" /* HELM_REQUIRED_FIELDS.NAME */]: 'Medium Name',
|
|
16
16
|
["smiles" /* HELM_REQUIRED_FIELDS.SMILES */]: 'SMILES',
|
|
17
17
|
};
|
|
18
|
-
/** For
|
|
19
|
-
export const
|
|
18
|
+
/** For PolyTool */
|
|
19
|
+
export const R_GROUP_BLOCK_DUMMY = [
|
|
20
20
|
{
|
|
21
21
|
'capGroupSmiles': '[*:1][H]',
|
|
22
22
|
'alternateId': 'R1-H',
|
|
@@ -28,6 +28,12 @@ export const rGroupsDummy = [
|
|
|
28
28
|
'alternateId': 'R2-OH',
|
|
29
29
|
'capGroupName': 'OH',
|
|
30
30
|
'label': 'R2'
|
|
31
|
+
},
|
|
32
|
+
{
|
|
33
|
+
'capGroupSmiles': '[*:3][H]',
|
|
34
|
+
'alternateId': 'R3-H',
|
|
35
|
+
'capGroupName': 'H',
|
|
36
|
+
'label': 'R3'
|
|
31
37
|
}
|
|
32
38
|
];
|
|
33
39
|
// todo: ideally, keys should be expressed via constants
|
|
@@ -44,7 +50,7 @@ export const jsonSdfMonomerLibDict = {
|
|
|
44
50
|
'polymerType': 'MonomerType',
|
|
45
51
|
'symbol': 'MonomerCode'
|
|
46
52
|
};
|
|
47
|
-
export const
|
|
53
|
+
export const DUMMY_MONOMER = {
|
|
48
54
|
'monomerType': 'Backbone',
|
|
49
55
|
'smiles': '',
|
|
50
56
|
'name': '',
|
package/src/utils/const.js.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"const.js","sourceRoot":"","sources":["const.ts"],"names":[],"mappings":"AAIA,MAAM,CAAC,MAAM,sBAAsB,GAAG,4BAA4B,CAAC;AAyDnE,oEAAoE;AACpE,MAAM,CAAC,MAAM,gBAAgB,GAAG;;;;;IAK9B,2EAA2E;IAC3E,YAAY;CACb,CAAC;AAEF,MAAM,CAAC,MAAM,gBAAgB,GAAG,aAAa,CAAC;AAE9C,
|
|
1
|
+
{"version":3,"file":"const.js","sourceRoot":"","sources":["const.ts"],"names":[],"mappings":"AAIA,MAAM,CAAC,MAAM,sBAAsB,GAAG,4BAA4B,CAAC;AAyDnE,oEAAoE;AACpE,MAAM,CAAC,MAAM,gBAAgB,GAAG;;;;;IAK9B,2EAA2E;IAC3E,YAAY;CACb,CAAC;AAEF,MAAM,CAAC,MAAM,gBAAgB,GAAG,aAAa,CAAC;AAE9C,oBAAoB;AACpB,MAAM,CAAC,MAAM,+BAA+B,GAAG;IAC7C,4CAA6B,EAAE,YAAY;IAC3C,wCAA2B,EAAE,aAAa;IAC1C,4CAA6B,EAAE,QAAQ;CACxC,CAAC;AAEF,oBAAoB;AACpB,MAAM,CAAC,MAAM,mBAAmB,GAAG;IACjC;QACE,gBAAgB,EAAE,UAAU;QAC5B,aAAa,EAAE,MAAM;QACrB,cAAc,EAAE,GAAG;QACnB,OAAO,EAAE,IAAI;KACd;IACD;QACE,gBAAgB,EAAE,QAAQ;QAC1B,aAAa,EAAE,OAAO;QACtB,cAAc,EAAE,IAAI;QACpB,OAAO,EAAE,IAAI;KACd;IACD;QACE,gBAAgB,EAAE,UAAU;QAC5B,aAAa,EAAE,MAAM;QACrB,cAAc,EAAE,GAAG;QACnB,OAAO,EAAE,IAAI;KACd;CACF,CAAC;AAEF,wDAAwD;AACxD,MAAM,CAAC,MAAM,qBAAqB,GAAG;IACnC,aAAa,EAAE,IAAI;IACnB,QAAQ,EAAE,IAAI;IACd,MAAM,EAAE,aAAa;IACrB,QAAQ,EAAE,IAAI;IACd,SAAS,EAAE,UAAU;IACrB,eAAe,EAAE,0BAA0B;IAC3C,SAAS,EAAE,aAAa;IACxB,YAAY,EAAE,IAAI;IAClB,IAAI,EAAE,IAAI;IACV,aAAa,EAAE,aAAa;IAC5B,QAAQ,EAAE,aAAa;CACxB,CAAC;AAEF,MAAM,CAAC,MAAM,aAAa,GAAG;IAC3B,aAAa,EAAE,UAAU;IACzB,QAAQ,EAAE,EAAE;IACZ,MAAM,EAAE,EAAE;IACV,QAAQ,EAAE,UAAU;IACpB,SAAS,EAAE,EAAE;IACb,eAAe,EAAE,EAAE;IACnB,SAAS,EAAE,EAAE;IACb,YAAY,EAAE,IAAI;IAClB,IAAI,EAAE,CAAC;IACP,aAAa,EAAE,SAAS;IACxB,QAAQ,EAAE,EAAE;CACb,CAAC;AACF,gEAAgE;AAChE,MAAM,CAAC,MAAM,kBAAkB,GAAG,KAAK,CAAC;AACxC,MAAM,CAAC,MAAM,kBAAkB,GAAG,KAAK,CAAC;AAExC,MAAM,CAAC,MAAM,aAAa,GAAG,GAAG,CAAC;AACjC,MAAM,CAAC,MAAM,kBAAkB,GAAG,GAAG,CAAC;AACtC,MAAM,CAAC,MAAM,gBAAgB,GAAG,GAAG,CAAC;AACpC,MAAM,CAAC,MAAM,oBAAoB,GAAG,IAAI,MAAM,CAC5C,IAAI,aAAa,GAAG,kBAAkB,eAAe,gBAAgB,GAAG,EACxE,GAAG,CACJ,CAAC"}
|
|
@@ -67,7 +67,7 @@ export function splitterAsFastaSimple(seq) {
|
|
|
67
67
|
*/
|
|
68
68
|
export function getSplitterWithSeparator(separator, limit = undefined) {
|
|
69
69
|
return (seq) => {
|
|
70
|
-
return !seq ? [] : seq.split(separator, limit);
|
|
70
|
+
return !seq ? [] : seq.replaceAll('\"-\"', '').replaceAll('\'-\'', '').split(separator, limit);
|
|
71
71
|
};
|
|
72
72
|
}
|
|
73
73
|
const helmRe = /(PEPTIDE1|DNA1|RNA1)\{([^}]+)}/g;
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"utils.js","sourceRoot":"","sources":["utils.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAE,MAAM,IAAI,CAAC;AACpB,OAAO,EAAC,gBAAgB,EAAuE,MAAM,SAAS,CAAC;AAC/G,OAAO,EAAW,SAAS,EAAE,kBAAkB,EAAE,SAAS,EAAE,QAAQ,EAAO,MAAM,UAAU,CAAC;AAC5F,OAAO,EAAC,YAAY,EAAC,MAAM,kBAAkB,CAAC;AAC9C,OAAO,EAAC,MAAM,EAAC,MAAM,iDAAiD,CAAC;AACvE,OAAO,EAAC,gBAAgB,EAAE,YAAY,EAAC,MAAM,iDAAiD,CAAC;AAE/F,OAAO,EAAC,kBAAkB,EAAC,MAAM,kBAAkB,CAAC;AACpD,OAAO,EAAC,mBAAmB,EAAC,MAAM,mBAAmB,CAAC;AACtD,OAAO,EAAC,kBAAkB,EAAC,MAAM,eAAe,CAAC;AAEjD;;;;;GAKG;AACH,MAAM,UAAU,cAAc,CAAC,MAAiB,EAAE,SAAiB,EAAE,QAAsB;IACzF,MAAM,IAAI,GAAG,MAAM,CAAC,UAAU,CAAC;IAC/B,MAAM,QAAQ,GAA2B,EAAE,CAAC,MAAM,CAAC,UAAU,EAAE,CAAC;SAC7D,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;IACpD,OAAO,QAAQ,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;AACvC,CAAC;AAED,SAAS,QAAQ,CAAC,QAAgC,EAAE,SAAiB;IACnE,MAAM,IAAI,GAA4B,EAAE,CAAC;IACzC,IAAI,UAAU,GAAG,IAAI,CAAC;IACtB,IAAI,WAAW,GAAG,IAAI,CAAC;IAEvB,KAAK,MAAM,IAAI,IAAI,QAAQ,EAAE;QAC3B,IAAI,WAAW,IAAI,IAAI;YACrB,WAAW,GAAG,IAAI,CAAC,MAAM,CAAC;aACvB,IAAI,IAAI,CAAC,MAAM,KAAK,WAAW;YAClC,UAAU,GAAG,KAAK,CAAC;QAErB,IAAI,IAAI,CAAC,MAAM,IAAI,SAAS,EAAE;YAC5B,KAAK,MAAM,CAAC,IAAI,IAAI,EAAE;gBACpB,IAAI,CAAC,CAAC,CAAC,IAAI,IAAI,CAAC;oBACd,IAAI,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;gBACd,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;aACd;SACF;KACF;IACD,OAAO,EAAC,IAAI,EAAE,IAAI,EAAE,UAAU,EAAE,UAAU,EAAC,CAAC;AAC9C,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,eAAe,CAAC,GAAQ;IACtC,iGAAiG;IACjG,0DAA0D;IAC1D,mCAAmC;IACnC,8BAA8B;IAC9B,iBAAiB;IACjB,SAAS;IACT,sBAAsB;IACtB,MAAM;IAEN,OAAO,EAAE,CAAmB,GAAG,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,SAAS,CAAC,CAAC;SAC5D,GAAG,CAAC,CAAC,EAAoB,EAAE,EAAE;QAC5B,OAAO,EAAE,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,wEAAwE;IACjG,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC;AACjB,CAAC;AAED,MAAM,UAAU,qBAAqB,CAAC,GAAQ;IAC5C,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,GAAe,CAAC;AACrC,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,wBAAwB,CAAC,SAAiB,EAAE,QAA4B,SAAS;IAC/F,OAAO,CAAC,GAAW,EAAE,EAAE;QACrB,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC,KAAK,CAAC,SAAS,EAAE,KAAK,CAAC,CAAC;
|
|
1
|
+
{"version":3,"file":"utils.js","sourceRoot":"","sources":["utils.ts"],"names":[],"mappings":"AAEA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EAAE,MAAM,IAAI,CAAC;AACpB,OAAO,EAAC,gBAAgB,EAAuE,MAAM,SAAS,CAAC;AAC/G,OAAO,EAAW,SAAS,EAAE,kBAAkB,EAAE,SAAS,EAAE,QAAQ,EAAO,MAAM,UAAU,CAAC;AAC5F,OAAO,EAAC,YAAY,EAAC,MAAM,kBAAkB,CAAC;AAC9C,OAAO,EAAC,MAAM,EAAC,MAAM,iDAAiD,CAAC;AACvE,OAAO,EAAC,gBAAgB,EAAE,YAAY,EAAC,MAAM,iDAAiD,CAAC;AAE/F,OAAO,EAAC,kBAAkB,EAAC,MAAM,kBAAkB,CAAC;AACpD,OAAO,EAAC,mBAAmB,EAAC,MAAM,mBAAmB,CAAC;AACtD,OAAO,EAAC,kBAAkB,EAAC,MAAM,eAAe,CAAC;AAEjD;;;;;GAKG;AACH,MAAM,UAAU,cAAc,CAAC,MAAiB,EAAE,SAAiB,EAAE,QAAsB;IACzF,MAAM,IAAI,GAAG,MAAM,CAAC,UAAU,CAAC;IAC/B,MAAM,QAAQ,GAA2B,EAAE,CAAC,MAAM,CAAC,UAAU,EAAE,CAAC;SAC7D,GAAG,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,QAAQ,CAAC,MAAM,CAAC,UAAU,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;IACpD,OAAO,QAAQ,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;AACvC,CAAC;AAED,SAAS,QAAQ,CAAC,QAAgC,EAAE,SAAiB;IACnE,MAAM,IAAI,GAA4B,EAAE,CAAC;IACzC,IAAI,UAAU,GAAG,IAAI,CAAC;IACtB,IAAI,WAAW,GAAG,IAAI,CAAC;IAEvB,KAAK,MAAM,IAAI,IAAI,QAAQ,EAAE;QAC3B,IAAI,WAAW,IAAI,IAAI;YACrB,WAAW,GAAG,IAAI,CAAC,MAAM,CAAC;aACvB,IAAI,IAAI,CAAC,MAAM,KAAK,WAAW;YAClC,UAAU,GAAG,KAAK,CAAC;QAErB,IAAI,IAAI,CAAC,MAAM,IAAI,SAAS,EAAE;YAC5B,KAAK,MAAM,CAAC,IAAI,IAAI,EAAE;gBACpB,IAAI,CAAC,CAAC,CAAC,IAAI,IAAI,CAAC;oBACd,IAAI,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC;gBACd,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC;aACd;SACF;KACF;IACD,OAAO,EAAC,IAAI,EAAE,IAAI,EAAE,UAAU,EAAE,UAAU,EAAC,CAAC;AAC9C,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,eAAe,CAAC,GAAQ;IACtC,iGAAiG;IACjG,0DAA0D;IAC1D,mCAAmC;IACnC,8BAA8B;IAC9B,iBAAiB;IACjB,SAAS;IACT,sBAAsB;IACtB,MAAM;IAEN,OAAO,EAAE,CAAmB,GAAG,CAAC,QAAQ,EAAE,CAAC,QAAQ,CAAC,SAAS,CAAC,CAAC;SAC5D,GAAG,CAAC,CAAC,EAAoB,EAAE,EAAE;QAC5B,OAAO,EAAE,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,wEAAwE;IACjG,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC;AACjB,CAAC;AAED,MAAM,UAAU,qBAAqB,CAAC,GAAQ;IAC5C,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,GAAe,CAAC;AACrC,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,wBAAwB,CAAC,SAAiB,EAAE,QAA4B,SAAS;IAC/F,OAAO,CAAC,GAAW,EAAE,EAAE;QACrB,OAAO,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,GAAG,CAAC,UAAU,CAAC,OAAO,EAAE,EAAE,CAAC,CAAC,UAAU,CAAC,OAAO,EAAE,EAAE,CAAC,CAAC,KAAK,CAAC,SAAS,EAAE,KAAK,CAAC,CAAC;IACjG,CAAC,CAAC;AACJ,CAAC;AAED,MAAM,MAAM,GAAW,iCAAiC,CAAC;AACzD,MAAM,SAAS,GAAW,gBAAgB,CAAC;AAE3C;;;;GAIG;AACH,MAAM,UAAU,cAAc,CAAC,GAAQ;IACrC,MAAM,CAAC,SAAS,GAAG,CAAC,CAAC;IACrB,MAAM,EAAE,GAA2B,MAAM,CAAC,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,CAAC,CAAC;IAC/D,MAAM,KAAK,GAAkB,EAAE,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;IAE/C,MAAM,aAAa,GAAG,CAAC,EAAU,EAAU,EAAE;QAC3C,SAAS,CAAC,SAAS,GAAG,CAAC,CAAC;QACxB,MAAM,IAAI,GAAG,SAAS,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;QAChC,IAAI,IAAI,IAAI,IAAI,CAAC,MAAM,IAAI,CAAC;YAC1B,OAAO,IAAI,CAAC,CAAC,CAAC,CAAC;;YAEf,OAAO,EAAE,CAAC;IACd,CAAC,CAAC;IAEF,MAAM,MAAM,GAAa,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,KAAK,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,EAAE,CAAC;IACvD,OAAO,MAAM,CAAC,GAAG,CAAC,aAAa,CAAC,CAAC;AACnC,CAAC;AAKD;;;;;GAKG;AACH,MAAM,UAAU,WAAW,CAAC,KAAa,EAAE,SAAiB,EAAE,QAA4B,SAAS;IACjG,IAAI,KAAK,CAAC,WAAW,EAAE,CAAC,UAAU,CAAC,QAAQ,CAAC,KAAK,CAAC;QAChD,OAAO,eAAe,CAAC;SACpB,IAAI,KAAK,CAAC,WAAW,EAAE,CAAC,UAAU,CAAC,QAAQ,CAAC,SAAS,CAAC;QACzD,OAAO,wBAAwB,CAAC,SAAS,EAAE,KAAK,CAAC,CAAC;SAC/C,IAAI,KAAK,CAAC,WAAW,EAAE,CAAC,UAAU,CAAC,QAAQ,CAAC,IAAI,CAAC;QACpD,OAAO,cAAc,CAAC;;QAEtB,MAAM,IAAI,KAAK,CAAC,oBAAoB,KAAK,IAAI,CAAC,CAAC;IAEjD,0BAA0B;AAC5B,CAAC;AAED;;;GAGG;AACH,MAAM,UAAU,oBAAoB,CAAC,GAAc;IACjD,MAAM,EAAE,GAAG,YAAY,CAAC,WAAW,CAAC,GAAG,CAAC,CAAC;IACzC,OAAO,EAAE,CAAC,WAAW,EAAE,CAAC;AAC1B,CAAC;AAED,MAAM,iBAAiB,GAAW,YAAY,CAAC;AAE/C,+CAA+C;AAC/C,MAAM,UAAU,cAAc,CAAC,KAAa,EAAE,kBAA0B;IACtE,IAAI,KAAK,CAAC,MAAM,IAAI,kBAAkB;QACpC,OAAO,KAAK,CAAC;IACf,+FAA+F;IAC/F,MAAM,eAAe,GAA4B,KAAK,CAAC,KAAK,CAAC,iBAAiB,CAAC,CAAC;IAChF,MAAM,WAAW,GAAY,KAAK,CAAC,MAAM,GAAG,kBAAkB,IAAI,CAAC,eAAe,EAAE,MAAM,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC;IACrG,MAAM,UAAU,GAAG,eAAe,EAAE,CAAC,CAAC,CAAC,IAAI,GAAG,CAAC;IAC/C,OAAO,CAAC,WAAW,CAAC,CAAC,CAAC,UAAU,CAAC,CAAC,CAAC,UAAU,CAAC,SAAS,CAAC,CAAC,EAAE,kBAAkB,GAAG,CAAC,CAAC,GAAG,GAAG,CAAC;AAC3F,CAAC;AAED,MAAM;AACN,MAAM,UAAU,WAAW,CAAC,QAAkB;IAC5C,QAAQ,QAAQ,EAAE;QAChB;YACE,OAAO,SAAS,CAAC,KAAK,CAAC,GAAG,CAAC;QAC7B;YACE,OAAO,SAAS,CAAC,KAAK,CAAC,GAAG,CAAC;QAC7B;YACE,OAAO,SAAS,CAAC,KAAK,CAAC,OAAO,CAAC;QACjC;YACE,MAAM,IAAI,KAAK,CAAC,yBAAyB,QAAQ,IAAI,CAAC,CAAC;KAC1D;AACH,CAAC;AAED;;;;;GAKG;AACH,MAAM,UAAU,qBAAqB,CAAC,IAAkB,EAAE,QAAqB,EAAE,YAAoB,GAAG;IACtG,MAAM,IAAI,GAAG,IAAI,GAAG,CAAS,CAAC,GAAG,IAAI,GAAG,CAAC,MAAM,CAAC,IAAI,CAAC,IAAI,CAAC,CAAC,EAAE,GAAG,QAAQ,CAAC,CAAC,CAAC;IAC3E,IAAI,CAAC,MAAM,CAAC,SAAS,CAAC,CAAC;IAEvB,MAAM,KAAK,GAAa,EAAE,CAAC;IAC3B,MAAM,SAAS,GAAa,EAAE,CAAC;IAC/B,KAAK,MAAM,CAAC,IAAI,IAAI,EAAE;QACpB,KAAK,CAAC,IAAI,CAAC,CAAC,IAAI,IAAI,CAAC,CAAC,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;QACpC,SAAS,CAAC,IAAI,CAAC,QAAQ,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;KACzC;IACD,0FAA0F;IAC1F,MAAM,KAAK,GAAW,IAAI,MAAM,CAAC,KAAK,CAAC,CAAC;IACxC,MAAM,SAAS,GAAW,IAAI,MAAM,CAAC,SAAS,CAAC,CAAC;IAChD,OAAO,gBAAgB,CAAC,KAAK,EAAE,SAAS,CAAC,GAAG,CAAC,YAAY,CAAC,KAAK,CAAC,GAAG,YAAY,CAAC,SAAS,CAAC,CAAC,CAAC;AAC9F,CAAC;AAED,+BAA+B;AAC/B,MAAM,UAAU,cAAc,CAAC,IAAkB,EAAE,UAA2B,EAAE,YAAoB,GAAG;IACrG,MAAM,cAAc,GAAuB,UAAU,CAAC,GAAG,CAAC,CAAC,CAAC,EAAE,EAAE;QAC9D,MAAM,GAAG,GAAG,qBAAqB,CAAC,IAAI,EAAE,CAAC,CAAC,QAAQ,EAAE,SAAS,CAAC,CAAC;QAC/D,OAAO,IAAI,gBAAgB,CAAC,CAAC,EAAE,IAAI,EAAE,GAAG,CAAC,CAAC;IAC5C,CAAC,CAAC,CAAC;IAEH,IAAI,YAAoB,CAAC;IACzB,MAAM,MAAM,GAAG,IAAI,CAAC,GAAG,CAAC,GAAG,cAAc,CAAC,GAAG,CAC3C,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,CAAC,UAAU,GAAG,EAAE,CAAC,MAAM,CAAC,CAAC,CAAC,EAAE,CAAC,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAC3D,IAAI,MAAM,GAAG,CAAC,EAAE;QACd,MAAM,GAAG,GAAG,cAAc,CAAC,IAAI,CAAC,CAAC,EAAE,EAAE,EAAE,CAAC,EAAE,CAAC,UAAU,KAAK,MAAM,CAAE,CAAC;QACnE,YAAY,GAAG,GAAG,CAAC,IAAI,CAAC;KACzB;SAAM;QACL,YAAY,yBAAc,CAAC;KAC5B;IACD,OAAO,YAAY,CAAC;AACtB,CAAC;AAED;;;;GAIG;AACH,MAAM,UAAU,aAAa,CAAC,MAAiB,EAAE,YAAoB,CAAC;IACpE,IAAI,QAAgB,CAAC;IACrB,IAAI,MAAM,CAAC,OAAO,IAAI,EAAE,CAAC,OAAO,CAAC,aAAa,EAAE;QAC9C,MAAM,EAAE,GAAiB,YAAY,CAAC,WAAW,CAAC,MAAM,CAAC,CAAC;QAC1D,QAAQ,GAAG,EAAE,CAAC,QAAQ,CAAC;KACxB;SAAM;QACL,MAAM,KAAK,GAAgB,cAAc,CAAC,MAAM,EAAE,SAAS,EAAE,eAAe,CAAC,CAAC;QAC9E,QAAQ,GAAG,cAAc,CAAC,KAAK,CAAC,IAAI,EAAE,kBAAkB,CAAC,CAAC;KAC3D;IAED,MAAM,GAAG,GAAG,gBAAgB,CAAC,QAAQ,CAAC,CAAC;IACvC,OAAO,GAAG,CAAC;AACb,CAAC;AAED,MAAM,UAAU,gBAAgB,CAAC,WAAmB;IAClD,QAAQ,WAAW,EAAE;QACnB;YACE,OAAO,kBAAkB,CAAC,UAAU,CAAC;QACvC,8BAAkB;QAClB;YACE,OAAO,mBAAmB,CAAC,YAAY,CAAC;QAC1C,QAAQ;QACR;YACE,OAAO,kBAAkB,CAAC,KAAK,CAAC;KACnC;AACH,CAAC;AAED,MAAM,UAAU,YAAY,CAAC,EAAgB;IAC3C,MAAM,cAAc,GAAG,EAAE,CAAC,OAAO,CAAC,YAAY,CAAC,EAAE,CAAC,OAAO,CAAC,aAAa,CAAC,CAAC;IACzE,IAAI,MAAM,GAAqB,cAAc,CAAC,IAAI,CAAC,CAAC,GAAG,EAAE,EAAE;QACzD,MAAM,KAAK,GAAG,GAAG,CAAC,MAAM,CAAC,EAAE,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;QACxC,OAAO,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,OAAO,CAAC,KAAK,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,KAAK,CAAC;IACrD,CAAC,CAAC,IAAI,IAAI,CAAC;IACX,IAAI,CAAC,MAAM,IAAI,cAAc,CAAC,MAAM,GAAG,CAAC;QACtC,MAAM,GAAG,cAAc,CAAC,CAAC,CAAC,CAAC;IAC7B,OAAO,MAAM,CAAC;AAChB,CAAC"}
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"monomer-lib-handler.d.ts","sourceRoot":"","sources":["monomer-lib-handler.ts"],"names":[],"mappings":"AAUA,qBAAa,yBAAyB;IACxB,OAAO,CAAC,MAAM;gBAAN,MAAM,EAAE,GAAG,EAAE;IAEjC,OAAO,IAAI,OAAO;IAUlB,iBAAiB,IAAI,GAAG;IAUxB,OAAO,CAAC,cAAc;CAuBvB"}
|
|
@@ -0,0 +1,91 @@
|
|
|
1
|
+
import * as DG from 'datagrok-api/dg';
|
|
2
|
+
import { helmFieldsToPolyToolInputFields, DUMMY_MONOMER, R_GROUP_BLOCK_DUMMY } from '../../utils/const';
|
|
3
|
+
export class PolyToolMonomerLibHandler {
|
|
4
|
+
constructor(rawLib) {
|
|
5
|
+
this.rawLib = rawLib;
|
|
6
|
+
}
|
|
7
|
+
isValid() {
|
|
8
|
+
return this.rawLib.every((entry) => {
|
|
9
|
+
return typeof entry === 'object' &&
|
|
10
|
+
Object.values(helmFieldsToPolyToolInputFields).every((field) => {
|
|
11
|
+
return field in entry &&
|
|
12
|
+
typeof entry[field] === 'string';
|
|
13
|
+
});
|
|
14
|
+
});
|
|
15
|
+
}
|
|
16
|
+
getJsonMonomerLib() {
|
|
17
|
+
const resultLib = [];
|
|
18
|
+
this.rawLib.forEach((rawMonomer) => {
|
|
19
|
+
const monomer = this.prepareMonomer(rawMonomer);
|
|
20
|
+
resultLib.push(monomer);
|
|
21
|
+
});
|
|
22
|
+
console.log('resultLib:', resultLib);
|
|
23
|
+
return resultLib;
|
|
24
|
+
}
|
|
25
|
+
prepareMonomer(rawMonomer) {
|
|
26
|
+
const monomer = { ...DUMMY_MONOMER };
|
|
27
|
+
Object.entries(helmFieldsToPolyToolInputFields).forEach(([key, value]) => {
|
|
28
|
+
const monomerSymbol = rawMonomer[value];
|
|
29
|
+
//@ts-ignore
|
|
30
|
+
monomer[key] = monomerSymbol;
|
|
31
|
+
});
|
|
32
|
+
let key = "smiles" /* HELM_FIELDS.SMILES */;
|
|
33
|
+
const rawSmiles = rawMonomer[helmFieldsToPolyToolInputFields[key]];
|
|
34
|
+
const smilesHandler = new SmilesHandler(rawSmiles);
|
|
35
|
+
const smiles = smilesHandler.getCappedSmiles();
|
|
36
|
+
monomer[key] = smiles;
|
|
37
|
+
key = "rgroups" /* HELM_FIELDS.RGROUPS */;
|
|
38
|
+
monomer[key] = RGroupHandler.getRGroups(smilesHandler.getNumberOfRGroups());
|
|
39
|
+
key = "molfile" /* HELM_FIELDS.MOLFILE */;
|
|
40
|
+
monomer[key] = new MolBlockHandler(smilesHandler.getSmilesWithRGroups()).getMolfile();
|
|
41
|
+
return monomer;
|
|
42
|
+
}
|
|
43
|
+
}
|
|
44
|
+
class SmilesHandler {
|
|
45
|
+
constructor(rawSmiles) {
|
|
46
|
+
const regex = new RegExp('\\[r\\]', 'g');
|
|
47
|
+
let i = 0;
|
|
48
|
+
this.smilesWithRGroups = rawSmiles.replace(regex, (match) => { ++i; return `[${i}*]`; });
|
|
49
|
+
this.numberOfRGroups = i;
|
|
50
|
+
}
|
|
51
|
+
getSmilesWithRGroups() {
|
|
52
|
+
return this.smilesWithRGroups;
|
|
53
|
+
}
|
|
54
|
+
getCappedSmiles() {
|
|
55
|
+
const smiles = this.capRGroups();
|
|
56
|
+
return smiles;
|
|
57
|
+
}
|
|
58
|
+
getNumberOfRGroups() {
|
|
59
|
+
return this.numberOfRGroups;
|
|
60
|
+
}
|
|
61
|
+
capRGroups() {
|
|
62
|
+
let result = this.smilesWithRGroups.replace('[1*]', '[H:1]');
|
|
63
|
+
result = result.replace('[2*]', '[OH:2]');
|
|
64
|
+
return result.replace('[3*]', '[H:3]');
|
|
65
|
+
}
|
|
66
|
+
}
|
|
67
|
+
class RGroupHandler {
|
|
68
|
+
constructor() { }
|
|
69
|
+
;
|
|
70
|
+
static getRGroups(numberOfRGroups) {
|
|
71
|
+
return R_GROUP_BLOCK_DUMMY.slice(0, numberOfRGroups);
|
|
72
|
+
}
|
|
73
|
+
}
|
|
74
|
+
class MolBlockHandler {
|
|
75
|
+
constructor(smilesWithRGroups) {
|
|
76
|
+
this.smilesWithRGroups = smilesWithRGroups;
|
|
77
|
+
}
|
|
78
|
+
getMolfile() {
|
|
79
|
+
let molfile = DG.chem.convert(this.smilesWithRGroups, DG.chem.Notation.Smiles, DG.chem.Notation.MolBlock);
|
|
80
|
+
molfile = this.restoreRGPLine(molfile);
|
|
81
|
+
molfile = this.fixRGroupSymbols(molfile);
|
|
82
|
+
return molfile;
|
|
83
|
+
}
|
|
84
|
+
restoreRGPLine(rawMolfile) {
|
|
85
|
+
return rawMolfile.replace('M ISO', 'M RGP');
|
|
86
|
+
}
|
|
87
|
+
fixRGroupSymbols(molfile) {
|
|
88
|
+
return molfile.replace(/\bR\b/g, 'R#');
|
|
89
|
+
}
|
|
90
|
+
}
|
|
91
|
+
//# sourceMappingURL=monomer-lib-handler.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"monomer-lib-handler.js","sourceRoot":"","sources":["monomer-lib-handler.ts"],"names":[],"mappings":"AAGA,OAAO,KAAK,EAAE,MAAM,iBAAiB,CAAC;AAEtC,OAAO,EACQ,+BAA+B,EAAE,aAAa,EAAE,mBAAmB,EACjF,MAAM,mBAAmB,CAAC;AAG3B,MAAM,OAAO,yBAAyB;IACpC,YAAoB,MAAa;QAAb,WAAM,GAAN,MAAM,CAAO;IAAI,CAAC;IAEtC,OAAO;QACL,OAAO,IAAI,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;YACjC,OAAO,OAAO,KAAK,KAAK,QAAQ;gBAC9B,MAAM,CAAC,MAAM,CAAC,+BAA+B,CAAC,CAAC,KAAK,CAAC,CAAC,KAAK,EAAE,EAAE;oBAC7D,OAAO,KAAK,IAAI,KAAK;wBACnB,OAAO,KAAK,CAAC,KAAK,CAAC,KAAK,QAAQ,CAAC;gBACrC,CAAC,CAAC,CAAC;QACP,CAAC,CAAC,CAAC;IACL,CAAC;IAED,iBAAiB;QACf,MAAM,SAAS,GAAU,EAAE,CAAC;QAC5B,IAAI,CAAC,MAAM,CAAC,OAAO,CAAC,CAAC,UAAU,EAAE,EAAE;YACjC,MAAM,OAAO,GAAG,IAAI,CAAC,cAAc,CAAC,UAAU,CAAC,CAAC;YAChD,SAAS,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;QAC1B,CAAC,CAAC,CAAC;QACH,OAAO,CAAC,GAAG,CAAC,YAAY,EAAE,SAAS,CAAC,CAAC;QACrC,OAAO,SAAS,CAAC;IACnB,CAAC;IAEO,cAAc,CAAC,UAAe;QACpC,MAAM,OAAO,GAAY,EAAC,GAAG,aAAa,EAAC,CAAC;QAE5C,MAAM,CAAC,OAAO,CAAC,+BAA+B,CAAC,CAAC,OAAO,CAAC,CAAC,CAAC,GAAG,EAAE,KAAK,CAAC,EAAE,EAAE;YACvE,MAAM,aAAa,GAAG,UAAU,CAAC,KAAK,CAAW,CAAC;YAClD,YAAY;YACZ,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,CAAC;QAC/B,CAAC,CAAC,CAAC;QAEH,IAAI,GAAG,oCAAqB,CAAC;QAC7B,MAAM,SAAS,GAAG,UAAU,CAAC,+BAA+B,CAAC,GAAG,CAAC,CAAC,CAAC;QACnE,MAAM,aAAa,GAAG,IAAI,aAAa,CAAC,SAAS,CAAC,CAAC;QACnD,MAAM,MAAM,GAAG,aAAa,CAAC,eAAe,EAAE,CAAC;QAC/C,OAAO,CAAC,GAAG,CAAC,GAAG,MAAM,CAAC;QAEtB,GAAG,sCAAsB,CAAC;QAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,aAAa,CAAC,UAAU,CAAC,aAAa,CAAC,kBAAkB,EAAE,CAAC,CAAC;QAE5E,GAAG,sCAAsB,CAAC;QAC1B,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,eAAe,CAAC,aAAa,CAAC,oBAAoB,EAAE,CAAC,CAAC,UAAU,EAAE,CAAC;QAEtF,OAAO,OAAO,CAAC;IACjB,CAAC;CACF;AAED,MAAM,aAAa;IACjB,YAAY,SAAiB;QAC3B,MAAM,KAAK,GAAG,IAAI,MAAM,CAAC,SAAS,EAAE,GAAG,CAAC,CAAC;QACzC,IAAI,CAAC,GAAG,CAAC,CAAC;QACV,IAAI,CAAC,iBAAiB,GAAG,SAAS,CAAC,OAAO,CAAC,KAAK,EAAE,CAAC,KAAK,EAAE,EAAE,GAAG,EAAE,CAAC,CAAC,CAAC,OAAO,IAAI,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC;QACzF,IAAI,CAAC,eAAe,GAAG,CAAC,CAAC;IAC3B,CAAC;IAKD,oBAAoB;QAClB,OAAO,IAAI,CAAC,iBAAiB,CAAC;IAChC,CAAC;IAED,eAAe;QACb,MAAM,MAAM,GAAG,IAAI,CAAC,UAAU,EAAE,CAAC;QACjC,OAAO,MAAM,CAAC;IAChB,CAAC;IAED,kBAAkB;QAChB,OAAO,IAAI,CAAC,eAAe,CAAC;IAC9B,CAAC;IAEO,UAAU;QAChB,IAAI,MAAM,GAAG,IAAI,CAAC,iBAAiB,CAAC,OAAO,CAAC,MAAM,EAAE,OAAO,CAAC,CAAC;QAC7D,MAAM,GAAG,MAAM,CAAC,OAAO,CAAC,MAAM,EAAE,QAAQ,CAAC,CAAC;QAC1C,OAAO,MAAM,CAAC,OAAO,CAAC,MAAM,EAAE,OAAO,CAAC,CAAC;IACzC,CAAC;CACF;AAED,MAAM,aAAa;IACjB,gBAAuB,CAAC;IAAA,CAAC;IAEzB,MAAM,CAAC,UAAU,CAAC,eAAuB;QACvC,OAAO,mBAAmB,CAAC,KAAK,CAAC,CAAC,EAAE,eAAe,CAAC,CAAC;IACvD,CAAC;CACF;AAED,MAAM,eAAe;IACnB,YAAoB,iBAAyB;QAAzB,sBAAiB,GAAjB,iBAAiB,CAAQ;IAAI,CAAC;IAElD,UAAU;QACR,IAAI,OAAO,GAAG,EAAE,CAAC,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,iBAAiB,EAAE,EAAE,CAAC,IAAI,CAAC,QAAQ,CAAC,MAAM,EAAE,EAAE,CAAC,IAAI,CAAC,QAAQ,CAAC,QAAQ,CAAC,CAAC;QAC1G,OAAO,GAAG,IAAI,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC;QACvC,OAAO,GAAG,IAAI,CAAC,gBAAgB,CAAC,OAAO,CAAC,CAAC;QACzC,OAAO,OAAO,CAAC;IACjB,CAAC;IAEO,cAAc,CAAC,UAAkB;QACvC,OAAO,UAAU,CAAC,OAAO,CAAC,QAAQ,EAAE,QAAQ,CAAC,CAAC;IAChD,CAAC;IAEO,gBAAgB,CAAC,OAAe;QACtC,OAAO,OAAO,CAAC,OAAO,CAAC,QAAQ,EAAE,IAAI,CAAC,CAAC;IACzC,CAAC;CACF"}
|
package/src/utils/types.d.ts
CHANGED
package/src/utils/types.d.ts.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"types.d.ts","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAAA,MAAM,MAAM,
|
|
1
|
+
{"version":3,"file":"types.d.ts","sourceRoot":"","sources":["types.ts"],"names":[],"mappings":"AAAA,MAAM,MAAM,WAAW,GAAG;IACxB,YAAY,EAAE,MAAM,CAAC;IACrB,aAAa,EAAE,MAAM,CAAC;IACtB,QAAQ,EAAE,MAAM,CAAC;IACjB,UAAU,EAAE,MAAM,CAAA;CACnB,CAAA"}
|