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openchemlib-utils

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openchemlib-utils - npm Package Compare versions

Comparing version 0.5.3 to 0.6.0

src/util/combineSmiles.js

13

CHANGELOG.md
# Changelog
## [0.6.0](https://www.github.com/cheminfo/openchemlib-utils/compare/v0.5.3...v0.6.0) (2021-01-17)
### Features
* add combineSmiles ([87bad19](https://www.github.com/cheminfo/openchemlib-utils/commit/87bad1943f121b9400646b39714fa15885e3602d))
* add complexity options in combineSmiles ([e54072e](https://www.github.com/cheminfo/openchemlib-utils/commit/e54072e22a0bac34690f7d856ef741e86d47c67e))
### Bug Fixes
* Correct readme example ([d22f119](https://www.github.com/cheminfo/openchemlib-utils/commit/d22f1193d51f0ce4d2aa2cec14c127931200b43b))
### [0.5.3](https://www.github.com/cheminfo/openchemlib-utils/compare/v0.5.2...v0.5.3) (2020-10-28)

@@ -4,0 +17,0 @@

14

package.json
{
"name": "openchemlib-utils",
"version": "0.5.3",
"version": "0.6.0",
"description": "",

@@ -44,9 +44,9 @@ "main": "lib/index.js",

"cheminfo-build": "^1.1.8",
"eslint": "^7.12.1",
"eslint": "^7.18.0",
"eslint-config-cheminfo": "^5.2.2",
"esm": "^3.2.25",
"jest": "^26.6.1",
"openchemlib": "^7.2.3",
"prettier": "^2.1.2",
"rollup": "^2.32.1"
"jest": "^26.6.3",
"openchemlib": "^7.3.0",
"prettier": "^2.2.1",
"rollup": "^2.36.2"
},

@@ -56,4 +56,4 @@ "dependencies": {

"ml-floyd-warshall": "^1.0.3",
"ml-matrix": "^6.5.3"
"ml-matrix": "^6.6.0"
}
}

@@ -18,3 +18,3 @@ # openchemlib-utils

import { Path, initOCL } from 'openchemlib-utils';
import { getPathsInfo, initOCL } from 'openchemlib-utils';
initOCL(OCL);

@@ -24,3 +24,3 @@

const paths = Path.getPathsInfo(molecule, {
const paths = getPathsInfo(molecule, {
fromLabel: 'H',

@@ -27,0 +27,0 @@ toLabel: 'H',

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