@datagrok/bio 2.11.24 → 2.11.27

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Files changed (48) hide show
  1. package/dist/100.js +2 -0
  2. package/dist/100.js.map +1 -0
  3. package/dist/118.js +2 -0
  4. package/dist/118.js.map +1 -0
  5. package/dist/361.js +1 -1
  6. package/dist/361.js.map +1 -1
  7. package/dist/42.js +2 -0
  8. package/dist/42.js.map +1 -0
  9. package/dist/471.js +2 -0
  10. package/dist/471.js.map +1 -0
  11. package/dist/649.js +2 -0
  12. package/dist/649.js.map +1 -0
  13. package/dist/664.js +2 -0
  14. package/dist/664.js.map +1 -0
  15. package/dist/886.js +3 -0
  16. package/dist/886.js.map +1 -0
  17. package/dist/package-test.js +1 -2
  18. package/dist/package-test.js.map +1 -1
  19. package/dist/package.js +1 -2
  20. package/dist/package.js.map +1 -1
  21. package/package.json +2 -2
  22. package/src/analysis/sequence-space.ts +2 -75
  23. package/src/demo/bio01b-hierarchical-clustering-and-activity-cliffs.ts +3 -2
  24. package/src/demo/bio05-helm-msa-sequence-space.ts +1 -1
  25. package/src/demo/utils.ts +6 -5
  26. package/src/package.ts +53 -67
  27. package/src/tests/activity-cliffs-tests.ts +7 -7
  28. package/src/tests/activity-cliffs-utils.ts +5 -4
  29. package/src/tests/msa-tests.ts +2 -2
  30. package/src/tests/pepsea-tests.ts +1 -1
  31. package/src/tests/sequence-space-test.ts +1 -1
  32. package/src/tests/sequence-space-utils.ts +1 -1
  33. package/src/tests/utils.ts +4 -2
  34. package/dist/23.js +0 -2
  35. package/dist/23.js.map +0 -1
  36. package/dist/282.js +0 -2
  37. package/dist/282.js.map +0 -1
  38. package/dist/378.js +0 -2
  39. package/dist/378.js.map +0 -1
  40. package/dist/40.js +0 -2
  41. package/dist/40.js.map +0 -1
  42. package/dist/65.js +0 -2
  43. package/dist/65.js.map +0 -1
  44. package/dist/935.js +0 -3
  45. package/dist/935.js.map +0 -1
  46. package/dist/package-test.js.LICENSE.txt +0 -51
  47. package/dist/package.js.LICENSE.txt +0 -51
  48. /package/dist/{935.js.LICENSE.txt → 886.js.LICENSE.txt} +0 -0
package/dist/100.js ADDED
@@ -0,0 +1,2 @@
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(DistanceAggregationMethods) {\n DistanceAggregationMethods[\"EUCLIDEAN\"] = \"EUCLIDEAN\";\n DistanceAggregationMethods[\"MANHATTAN\"] = \"MANHATTAN\";\n})(DistanceAggregationMethods || (DistanceAggregationMethods = {}));\n;\n//# sourceMappingURL=data:application/json;base64,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","import { DistanceAggregationMethods } from './types';\nexport const isNil = (x) => x === null || x === undefined;\nexport function insertSmaller(distancesAr, indexes, num, index) {\n if (num > distancesAr[distancesAr.length - 1])\n return;\n const newPosition = distancesAr.findIndex((v) => num < v);\n distancesAr.pop();\n distancesAr.splice(newPosition, 0, num);\n indexes.pop();\n indexes.splice(newPosition, 0, index);\n}\nexport function insertLarger(distancesAr, indexes, num, index) {\n if (num < distancesAr[distancesAr.length - 1])\n return;\n const newPosition = distancesAr.findIndex((v) => num > v);\n distancesAr.pop();\n distancesAr.splice(newPosition, 0, num);\n indexes.pop();\n indexes.splice(newPosition, 0, index);\n}\nexport function getAggregationFunction(aggregationMethod, weights) {\n switch (aggregationMethod) {\n case DistanceAggregationMethods.MANHATTAN:\n return (vs) => vs.reduce((acc, val, idx) => acc + val * weights[idx], 0);\n default:\n return (vs) => {\n // euclidean\n const sum = vs.reduce((acc, val, idx) => acc + (val * weights[idx]) ** 2, 0);\n return Math.sqrt(sum);\n };\n }\n}\n//# 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{ isNil } from './utils';\nimport { Measure, isBitArrayMetric } from '../typed-metrics';\nimport BitArray from '@datagrok-libraries/utils/src/bit-array';\nonmessage = (event) => {\n const { values, fnName, startRow, startCol, chunckSize, opts } = event.data;\n const data = {};\n try {\n // if (startRow != -1)\n // throw new Error('Error in distance matrix worker'); // TODO: remove this line\n let i = startRow;\n let j = startCol;\n let cnt = 0;\n let lmin = 0;\n let lmax = Number.MIN_VALUE;\n if (isBitArrayMetric(fnName)) {\n for (let i = 0; i < values.length; ++i) {\n if (isNil(values[i]))\n continue;\n values[i] = new BitArray(values[i]._data, values[i]._length);\n }\n }\n const retVal = new Float32Array(chunckSize);\n const distanceFn = new Measure(fnName).getMeasure(opts);\n while (cnt < chunckSize) {\n const value = !isNil(values[i]) && !isNil(values[j]) ?\n distanceFn(values[i], values[j]) : 1;\n retVal[cnt] = value;\n if (value < lmin)\n lmin = value;\n if (value > lmax)\n lmax = value;\n cnt++;\n j++;\n if (j === values.length) {\n i++;\n j = i + 1;\n }\n }\n data.distanceMatrixData = retVal;\n data.min = lmin;\n data.max = lmax;\n }\n catch (e) {\n data.error = e;\n }\n postMessage(data);\n};\n//# 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(DistanceAggregationMethods) {\n DistanceAggregationMethods[\"EUCLIDEAN\"] = \"EUCLIDEAN\";\n DistanceAggregationMethods[\"MANHATTAN\"] = \"MANHATTAN\";\n})(DistanceAggregationMethods || (DistanceAggregationMethods = {}));\n;\n//# sourceMappingURL=data:application/json;base64,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","import { DistanceAggregationMethods } from './types';\nexport const isNil = (x) => x === null || x === undefined;\nexport function insertSmaller(distancesAr, indexes, num, index) {\n if (num > distancesAr[distancesAr.length - 1])\n return;\n const newPosition = distancesAr.findIndex((v) => num < v);\n distancesAr.pop();\n distancesAr.splice(newPosition, 0, num);\n indexes.pop();\n indexes.splice(newPosition, 0, index);\n}\nexport function insertLarger(distancesAr, indexes, num, index) {\n if (num < distancesAr[distancesAr.length - 1])\n return;\n const newPosition = distancesAr.findIndex((v) => num > v);\n distancesAr.pop();\n distancesAr.splice(newPosition, 0, num);\n indexes.pop();\n indexes.splice(newPosition, 0, index);\n}\nexport function getAggregationFunction(aggregationMethod, weights) {\n switch (aggregationMethod) {\n case DistanceAggregationMethods.MANHATTAN:\n return (vs) => vs.reduce((acc, val, idx) => acc + val * weights[idx], 0);\n default:\n return (vs) => {\n // euclidean\n const sum = vs.reduce((acc, val, idx) => acc + (val * weights[idx]) ** 2, 0);\n return Math.sqrt(sum);\n };\n }\n}\n//# 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{ isNil } from './utils';\nimport { Measure, isBitArrayMetric } from '../typed-metrics';\nimport BitArray from '@datagrok-libraries/utils/src/bit-array';\nonmessage = async (event) => {\n const { values, startIdx, endIdx, sampleLength, fnName, opts } = event.data;\n try {\n // if (startIdx != -1)\n // throw new Error('Error in sparse threshold worker'); // TODO: remove this line\n let distances = new Float32Array(sampleLength);\n const chunkSize = endIdx - startIdx;\n if (isBitArrayMetric(fnName)) {\n for (let i = 0; i < values.length; ++i) {\n if (isNil(values[i]))\n continue;\n values[i] = new BitArray(values[i]._data, values[i]._length);\n }\n }\n let cnt = 0;\n const increment = Math.floor(chunkSize / sampleLength);\n const distanceFn = new Measure(fnName).getMeasure(opts);\n const startRow = values.length - 2 - Math.floor(Math.sqrt(-8 * startIdx + 4 * values.length * (values.length - 1) - 7) / 2 - 0.5);\n const startCol = startIdx - values.length * startRow + Math.floor((startRow + 1) * (startRow + 2) / 2);\n let mi = startRow;\n let mj = startCol;\n let distanceArrayCounter = 0;\n while (cnt < chunkSize && distanceArrayCounter < sampleLength) {\n //const value = seq1List[mi] && seq1List[mj] ? hamming(seq1List[mi], seq1List[mj]) : 0;\n const value = !isNil(values[mi]) && !isNil(values[mj]) ?\n distanceFn(values[mi], values[mj]) : 1;\n distances[distanceArrayCounter] = value;\n distanceArrayCounter++;\n // const currentIncrement = Math.floor(Math.random() * increment) + 1\n cnt += increment;\n mj += increment;\n while (mj >= values.length && cnt < chunkSize) {\n mi++;\n mj = mi + 1 + (mj - values.length);\n }\n }\n if (distanceArrayCounter < sampleLength) {\n distances = distances.slice(0, distanceArrayCounter);\n }\n postMessage({ distance: distances });\n }\n catch (e) {\n postMessage({ error: e });\n }\n};\n//# 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this.incrementVersion(e),this}xor(t,e=!0){if(this._length!=t._length)throw new Error("Array lengths differ.");for(let e=0,n=this.lengthInInts;e<n;e++)this._data[e]^=t._data[e];return this.incrementVersion(e),this}insertAt(t,e,n=!1){if(this.assureInRange(t,0,this._length,"pos"),0==e)return;const r=this._length;this.setLength(this._length+e);for(let n=r-1;n>=t;n--)this.setBit(n+e,this.getBit(n));for(let r=t;r<t+e;r++)this.setBit(r,n)}removeAt(t,e=1){if(e<0)throw new Error("n cannot be negative");if(this.assureInRange(t,0,this._length-e,"pos"),this.contains(!0))for(let n=t;n<this._length-e;n++)this.setBit(n,this.getBit(n+e));this.setLength(this._length-e)}removeByMask(t,e=!0){if(this._length!=t.length)throw new Error("length != mask.length");if(t==this)this.setLength(t.countBits(!e)),this.setAll(!e);else{let n=0;for(let r=-1;-1!=(r=t.findNext(r,!e));)this.setFast(n++,this.getBit(r));this._length=n,this._version++}return this}getBit(t){return 0!=(this._data[Math.floor(t/32)]&1<<(31&t))}setBit(t,e,n=!0){this.setFast(t,e),this._version++}setFast(t,e){e?this._data[Math.floor(t/32)]|=1<<(31&t):this._data[Math.floor(t/32)]&=~(1<<(31&t))}setTrue(t){this._data[Math.floor(t/32)]|=1<<(31&t)}setFalse(t){this._data[Math.floor(t/32)]&=~(1<<(31&t))}trueCount(){return this.countBits(!0)}falseCount(){return this.countBits(!1)}countBits(t){if(0==this._length)return 0;if(this._selectedCountVersion!=this._version){this._selectedCount=0;const t=this.lengthInInts;let e=0;for(;e<t-1;e++)for(let t=this._data[e];0!=t;t>>>=8)this._selectedCount+=r._onBitCount[255&t];let n=this._data[e];const i=31&this._length;for(0!=i&&(n&=~(4294967295<<i));0!=n;n>>>=8)this._selectedCount+=r._onBitCount[255&n];this._selectedCountVersion=this._version}return t?this._selectedCount:this._length-this._selectedCount}countWhere(t){let e=0;if(this.trueCount()==this._length)for(let n=0;n<this._length;n++)e+=t(n)?1:0;else for(let n=-1;-1!=(n=this.findNext(n,!0));)e+=t(n)?1:0;return e}andWithCountBits(t,e){if(0==this._length)return 0;let n=0;const i=this.lengthInInts;let s=0;for(;s<i-1;s++)for(let e=this._data[s]&t._data[s];0!=e;e>>>=8)n+=r._onBitCount[255&e];let o=this._data[s]&t._data[s];const h=31&this._length;for(0!=h&&(o&=~(4294967295<<h));0!=o;o>>>=8)n+=r._onBitCount[255&o];return e?n:this._length-n}clear(){this.setLength(0)}contains(t){return this.findNext(-1,t)>=0}get allTrue(){return this.countBits(!0)==this._length}get allFalse(){return this.countBits(!1)==this._length}get anyTrue(){return this.countBits(!0)>0}get anyFalse(){return this.countBits(!1)>0}findNext(t,e=!0){if(this.assureInRange(t,-1,this._length,"index"),t>=this._length-1)return-1;let n=31&(t=t<0?0:t+1);const i=this.lengthInInts;for(let s=Math.floor(t/32);s<i;s++){let i=e?this._data[s]:~this._data[s];if(0!=n)i&=4294967295<<n&4294967295,n=0;else if(!e&&-4294967296==i)continue;for(let e=0;0!=i;e+=8,i>>>=8){const n=r._firstOnBit[255&i];if(n>=0)return(t=n+32*s+e)>=this._length?-1:t}}return-1}findPrev(t,e=!0){if(0==t)return-1;this.assureInRange(t,-1,this._length,"index");let n=1+(t=t<0?this._length-1:t-1)&31;for(let i=Math.floor(t/32);i>=0;i--){let t=e?this._data[i]:~this._data[i];0!=n&&(t&=~(4294967295<<n),n=0);for(let e=24;0!=t;e-=8,t<<=8){const n=r._lastOnBit[t>>>24];if(n>=0)return n+32*i+e}}return-1}}r._onBitCount=Int8Array.from([0,1,1,2,1,2,2,3,1,2,2,3,2,3,3,4,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,1,2,2,3,2,3,3,4,2,3,3,4,3,4,4,5,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,2,3,3,4,3,4,4,5,3,4,4,5,4,5,5,6,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,3,4,4,5,4,5,5,6,4,5,5,6,5,6,6,7,4,5,5,6,5,6,6,7,5,6,6,7,6,7,7,8]),r._firstOnBit=Int8Array.from([-1,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,6,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,7,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,6,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,5,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0,4,0,1,0,2,0,1,0,3,0,1,0,2,0,1,0]),r._lastOnBit=Int8Array.from([-1,0,1,1,2,2,2,2,3,3,3,3,3,3,3,3,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,5,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,6,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7])},850:(t,e,n)=>{function r(t,e){let n=0;const r=t.length;if(r!==e.length)throw new Error("The dimensionality of the vectors must match");for(let i=0;i<r;++i)n+=Math.pow(t[i]-e[i],2);return Math.sqrt(n)}n.d(e,{dP:()=>r})}}]);
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