Initial commit

.babelrc

+{
+  "env": {
+    "test": {
+      "presets": [
+        [
+          "@babel/preset-env",
+          {
+            "targets": {
+              "node": "current"
+            }
+          }
+        ]
+      ]
+    }
+  }
+}

.dockerignore

+node_modules
+npm-debug*
+.nuxt
\ No newline at end of file

.eslintrc.js

+module.exports = {
+  root: true,
+  env: {
+    browser: true,
+    node: true
+  },
+  parserOptions: {
+    parser: 'babel-eslint'
+  },
+  extends: [
+    '@nuxtjs',
+    'plugin:nuxt/recommended',    
+    'plugin:vue/recommended',
+    'eslint:recommended',
+    'prettier',
+    'prettier/vue',
+    'plugin:prettier/recommended'
+  ],
+  // add your custom rules here
+  rules: {
+    // "vue/component-name-in-template-casing": ["error", "PascalCase"],
+    "no-console": process.env.NODE_ENV === "production" ? "error" : "off",
+    "no-debugger": process.env.NODE_ENV === "production" ? "error" : "off",
+    'import/no-unresolved': 0,
+    'import/no-unassigned-import': 0,
+    semi: ['error', 'never'],
+    'no-console': 'off',
+    'space-before-function-paren': [
+      'error',
+      {
+        anonymous: 'never',
+        named: 'never',
+        asyncArrow: 'always'
+      }
+    ]
+  },
+  globals: {
+    $nuxt: true
+  }  
+};

.gitignore

+# Created by .ignore support plugin (hsz.mobi)
+### Node template
+# Logs
+logs
+*.log
+npm-debug.log*
+yarn-debug.log*
+yarn-error.log*
+
+# Runtime data
+pids
+*.pid
+*.seed
+*.pid.lock
+
+# Directory for instrumented libs generated by jscoverage/JSCover
+lib-cov
+
+# Coverage directory used by tools like istanbul
+coverage
+
+# nyc test coverage
+.nyc_output
+
+# Grunt intermediate storage (http://gruntjs.com/creating-plugins#storing-task-files)
+.grunt
+
+# Bower dependency directory (https://bower.io/)
+bower_components
+
+# node-waf configuration
+.lock-wscript
+
+# Compiled binary addons (https://nodejs.org/api/addons.html)
+build/Release
+
+# Dependency directories
+node_modules/
+jspm_packages/
+
+# TypeScript v1 declaration files
+typings/
+
+# Optional npm cache directory
+.npm
+
+# Optional eslint cache
+.eslintcache
+
+# Optional REPL history
+.node_repl_history
+
+# Output of 'npm pack'
+*.tgz
+
+# Yarn Integrity file
+.yarn-integrity
+
+# dotenv environment variables file
+.env
+
+# parcel-bundler cache (https://parceljs.org/)
+.cache
+
+# next.js build output
+.next
+
+# nuxt.js build output
+.nuxt
+
+# Nuxt generate
+dist
+
+# vuepress build output
+.vuepress/dist
+
+# Serverless directories
+.serverless
+
+# IDE / Editor
+.idea
+.editorconfig
+
+# Service worker
+sw.*
+
+# Mac OSX
+.DS_Store
+
+# Vim swap files
+*.swp

.gitlab-ci.yml

+variables:
+  DOCKER_TLS_CERTDIR: ""
+  GIT_STRATEGY: clone
+  REGISTRY_USER: chembl/unichem
+  APPLICATION: malaria-frontend
+  RELEASE_IMAGE: $CI_REGISTRY/$REGISTRY_USER/$APPLICATION:$CI_BUILD_REF_NAME
+  DOCKER_IMAGE: $CI_REGISTRY/$REGISTRY_USER/$APPLICATION
+  DOCKER_DRIVER: overlay
+
+image: docker:latest
+
+services:
+  - docker:dind
+
+stages:
+  - build
+  # - test
+  # - deploy
+
+build-dev:
+  script:
+    - echo 'hello!'
+# build-dev:
+#   image:
+#     name: docker/compose:1.25.5
+#     entrypoint: ["/bin/sh", "-c"]
+#   stage: build
+#   only:
+#     - dev
+#     # - master
+#   variables:
+#     DOCKER_HOST: tcp://docker:2375
+#   script:
+#     - echo $CI_REGISTRY_PASSWORD | docker login -u $CI_REGISTRY_USER --password-stdin $CI_REGISTRY
+#     - echo Building ${DOCKER_IMAGE}:${CI_COMMIT_SHORT_SHA}
+#     - docker-compose build development
+#     - echo Deploying ${DOCKER_IMAGE}:${CI_COMMIT_SHORT_SHA}
+#     - docker push ${DOCKER_IMAGE}:${CI_COMMIT_SHORT_SHA}
+
+# build-prod:
+#   image:
+#     name: docker/compose:1.25.5
+#     entrypoint: ["/bin/sh", "-c"]
+#   stage: build
+#   only:
+#     - master
+#     # - master
+#   variables:
+#     DOCKER_HOST: tcp://docker:2375
+#   script:
+#     - echo $CI_REGISTRY_PASSWORD | docker login -u $CI_REGISTRY_USER --password-stdin $CI_REGISTRY
+#     - echo Building ${DOCKER_IMAGE}:${CI_COMMIT_SHORT_SHA}
+#     - docker-compose build production
+#     - echo Deploying ${DOCKER_IMAGE}:${CI_COMMIT_SHORT_SHA}
+#     - docker push ${DOCKER_IMAGE}:${CI_COMMIT_SHORT_SHA}    
+
+# unit-tests:
+#   stage: test
+#   when: manual
+#   script:
+#     - echo "ToDo UNIT TESTS"
+#   only:
+#     - master
+#     - dev
+
+# deploy-dev-hx:
+#   image:
+#     name: lachlanevenson/k8s-kubectl:latest
+#     entrypoint: ["/bin/sh", "-c"]
+#   stage: deploy
+#   script:
+#     - echo $KUBE_URL_HX
+#     - echo "$KUBE_CA_PEM_HX" > "$(pwd)/kube.ca.pem"
+#     - kubectl config set-cluster ${KUBE_CLUS_NAME_HX} --server="${KUBE_URL_HX}" --certificate-authority="$(pwd)/kube.ca.pem"
+#     - kubectl config set-credentials ${KUBE_USER_HX} --token="${KUBE_TOKEN_HX}"
+#     - kubectl config set-context ${KUBE_NAMESPACE_DEV} --cluster=${KUBE_CLUS_NAME_HX} --user=${KUBE_USER_HX}
+#     - kubectl config use-context ${KUBE_NAMESPACE_DEV}
+#     - echo ${KUBE_NAMESPACE_DEV} ${KUBE_URL_HH} ${KUBE_CLUS_NAME_HX} ${KUBE_USER_HX}
+#     - kubectl get pods -n ${KUBE_NAMESPACE_DEV}
+#     - sed -i "s~<VERSION>~${CI_COMMIT_SHORT_SHA}~" k8s-deployment.yml
+#     - sed -i "s~<DOCKER_IMAGE>~${DOCKER_IMAGE}~" k8s-deployment.yml
+#     - kubectl apply -n ${KUBE_NAMESPACE_DEV} -f k8s-deployment.yml
+#   only:
+#     - dev
+
+# deploy-dev-hh:
+#   image:
+#     name: lachlanevenson/k8s-kubectl:latest
+#     entrypoint: ["/bin/sh", "-c"]
+#   stage: deploy
+#   script:
+#     - echo $KUBE_URL_HH
+#     - echo "$KUBE_CA_PEM_HH" > "$(pwd)/kube.ca.pem"
+#     - kubectl config set-cluster ${KUBE_CLUS_NAME_HH} --server="${KUBE_URL_HH}" --certificate-authority="$(pwd)/kube.ca.pem"
+#     - kubectl config set-credentials ${KUBE_USER_HH} --token="${KUBE_TOKEN_HH}"
+#     - kubectl config set-context ${KUBE_NAMESPACE_DEV} --cluster=${KUBE_CLUS_NAME_HH} --user=${KUBE_USER_HH}
+#     - kubectl config use-context ${KUBE_NAMESPACE_DEV}
+#     - echo ${KUBE_NAMESPACE_DEV} ${KUBE_URL_HH} ${KUBE_CLUS_NAME_HH} ${KUBE_USER_HH}
+#     - kubectl get pods -n ${KUBE_NAMESPACE_DEV}
+#     - sed -i "s~<VERSION>~${CI_COMMIT_SHORT_SHA}~" k8s-deployment.yml
+#     - sed -i "s~<DOCKER_IMAGE>~${DOCKER_IMAGE}~" k8s-deployment.yml
+#     - kubectl apply -n ${KUBE_NAMESPACE_DEV} -f k8s-deployment.yml
+#   only:
+#     - dev
+
+# deploy-prod-hx:
+#   image:
+#     name: lachlanevenson/k8s-kubectl:latest
+#     entrypoint: ["/bin/sh", "-c"]
+#   stage: deploy
+#   script:
+#     - echo $KUBE_URL_HX
+#     - echo "$KUBE_CA_PEM_HX" > "$(pwd)/kube.ca.pem"
+#     - kubectl config set-cluster ${KUBE_CLUS_NAME_HX} --server="${KUBE_URL_HX}" --certificate-authority="$(pwd)/kube.ca.pem"
+#     - kubectl config set-credentials ${KUBE_USER_HX} --token="${KUBE_TOKEN_HX}"
+#     - kubectl config set-context ${KUBE_NAMESPACE_PROD} --cluster=${KUBE_CLUS_NAME_HX} --user=${KUBE_USER_HX}
+#     - kubectl config use-context ${KUBE_NAMESPACE_PROD}
+#     - echo ${KUBE_NAMESPACE_DEV} ${KUBE_URL_HX} ${KUBE_CLUS_NAME_HX} ${KUBE_USER_HX}
+#     - kubectl get pods -n ${KUBE_NAMESPACE_PROD}
+#     - sed -i "s~<VERSION>~${CI_COMMIT_SHORT_SHA}~" k8s-deployment.yml
+#     - sed -i "s~<DOCKER_IMAGE>~${DOCKER_IMAGE}~" k8s-deployment.yml
+#     - kubectl apply -n ${KUBE_NAMESPACE_PROD} -f k8s-deployment.yml
+#   when: manual
+#   only:
+#     - master
+
+# deploy-prod-hh:
+#   image:
+#     name: lachlanevenson/k8s-kubectl:latest
+#     entrypoint: ["/bin/sh", "-c"]
+#   stage: deploy
+#   script:
+#     - echo $KUBE_URL_HH
+#     - echo "$KUBE_CA_PEM_HH" > "$(pwd)/kube.ca.pem"
+#     - kubectl config set-cluster ${KUBE_CLUS_NAME_HH} --server="${KUBE_URL_HH}" --certificate-authority="$(pwd)/kube.ca.pem"
+#     - kubectl config set-credentials ${KUBE_USER_HH} --token="${KUBE_TOKEN_HH}"
+#     - kubectl config set-context ${KUBE_NAMESPACE_PROD} --cluster=${KUBE_CLUS_NAME_HH} --user=${KUBE_USER_HH}
+#     - kubectl config use-context ${KUBE_NAMESPACE_PROD}
+#     - echo ${KUBE_NAMESPACE_DEV} ${KUBE_URL_HH} ${KUBE_CLUS_NAME_HH} ${KUBE_USER_HH}
+#     - kubectl get pods -n ${KUBE_NAMESPACE_PROD}
+#     - sed -i "s~<VERSION>~${CI_COMMIT_SHORT_SHA}~" k8s-deployment.yml
+#     - sed -i "s~<DOCKER_IMAGE>~${DOCKER_IMAGE}~" k8s-deployment.yml
+#     - kubectl apply -n ${KUBE_NAMESPACE_PROD} -f k8s-deployment.yml
+#   when: manual
+#   only:
+#     - master
+
+# after_script:
+#   - echo "End of script"

.prettierrc

+{
+  "printWidth": 120,
+  "semi": false,
+  "singleQuote": true
+}
\ No newline at end of file

.vscode/settings.json

+{
+    "[vue]": {
+        "editor.formatOnSave": false,
+        "editor.defaultFormatter": "octref.vetur"
+    }, 
+    "prettier.disableLanguages": [],
+    "prettier.printWidth": 120,
+    "eslint.autoFixOnSave": true,
+    "eslint.alwaysShowStatus": true,
+    "eslint.validate": [
+        {
+        "language": "vue",
+        "autoFix": true
+        },
+        {
+        "language": "javascript",
+        "autoFix": true
+        },
+        {
+        "language": "javascriptreact",
+        "autoFix": true
+        }
+    ],
+    "vetur.format.defaultFormatter.js": "prettier-eslint",
+    "editor.codeActionsOnSave": {
+        "source.fixAll.eslint": true
+    }
+}
\ No newline at end of file

Dockerfile

+FROM node:lts
+
+LABEL maintainer="heinzke@ebi.ac.uk"
+
+ENV APP_SOURCE /usr/src/malaria
+
+RUN mkdir -p $APP_SOURCE
+WORKDIR $APP_SOURCE
+
+RUN apt-get update -qq -y && \
+    apt-get upgrade -qq -y && \
+    apt-get install -qq -y git
+
+COPY . $APP_SOURCE
+
+ARG DELAYED_JOBS_API
+ENV DELAYED_JOBS_API $DELAYED_JOBS_API
+
+RUN npm install && npm run build
+
+ENV HOST 0.0.0.0
+
+EXPOSE 3000
+
+ENTRYPOINT [ "npm", "start" ]

LICENSE

+Copyright 2020 Lina Heinzke
+
+Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

README.md

+# unichem-portal
+
+> large-scale non-redundant database of pointers between chemical structures and chemistry resources.
+
+## Build Setup
+
+``` bash
+# install dependencies
+$ npm run install
+
+# serve with hot reload at localhost:3000
+$ npm run dev
+
+# build for production and launch server
+$ npm run build
+$ npm run start
+
+# generate static project
+$ npm run generate
+```
+
+For detailed explanation on how things work, check out [Nuxt.js docs](https://nuxtjs.org).

api/chemblAPI.js

+import axios from 'axios'
+
+export default class ChemblAPI {
+  delayedJobsAPI() {
+    const path = process.env.delayedJobsApiUrl
+    return axios.create({
+      baseURL: path,
+      withCredentials: false,
+      headers: {
+        Accept: 'application/json',
+        'Content-Type': 'application/json',
+        'Cache-Control': 'no-cache'
+      }
+    })
+  }
+  // resultFileAPI() {
+  //   const path = 'http://hx-rke-wp-webadmin-04-worker-3.caas.ebi.ac.uk:30316/'
+  // }
+}

api/testData.js

+export default class TestData {
+  getData() {
+    return {
+      values: [
+        [-28.17443912180648, 1.0],
+        [-24.919042378950337, 0.0],
+        [-21.663645636094195, 0.0],
+        [-18.408248893238053, 0.0],
+        [-15.152852150381909, 3.0],
+        [-11.897455407525765, 5.0],
+        [-8.642058664669623, 10.0],
+        [-5.386661921813481, 43.0],
+        [-2.1312651789573387, 108.0],
+        [1.1241315638988034, 142.0],
+        [4.379528306754949, 168.0],
+        [7.634925049611091, 206.0],
+        [10.890321792467233, 186.0],
+        [14.145718535323375, 177.0],
+        [17.401115278179518, 149.0],
+        [20.65651202103566, 155.0],
+        [23.9119087638918, 117.0],
+        [27.167305506747944, 119.0],
+        [30.422702249604082, 116.0],
+        [33.67809899246023, 86.0],
+        [36.93349573531638, 96.0],
+        [40.18889247817251, 69.0],
+        [43.44428922102866, 55.0],
+        [46.6996859638848, 50.0],
+        [49.955082706740946, 40.0],
+        [53.21047944959708, 31.0],
+        [56.46587619245323, 24.0],
+        [59.721272935309365, 25.0],
+        [62.97666967816551, 17.0],
+        [66.23206642102164, 15.0],
+        [69.4874631638778, 14.0],
+        [72.74285990673394, 14.0],
+        [75.99825664959008, 9.0],
+        [79.25365339244624, 6.0],
+        [82.50905013530237, 4.0],
+        [85.76444687815851, 7.0],
+        [89.01984362101464, 8.0],
+        [92.27524036387081, 5.0],
+        [95.53063710672694, 3.0],
+        [98.78603384958308, 9.0],
+        [102.04143059243924, 8.0],
+        [105.29682733529538, 5.0],
+        [108.55222407815151, 2.0],
+        [111.80762082100765, 3.0],
+        [115.06301756386381, 5.0],
+        [118.31841430671994, 2.0],
+        [121.57381104957608, 3.0],
+        [124.82920779243221, 5.0],
+        [128.08460453528838, 4.0],
+        [131.3400012781445, 3.0],
+        [134.59539802100062, 2.0],
+        [137.8507947638568, 2.0],
+        [141.10619150671295, 2.0],
+        [144.36158824956908, 2.0],
+        [147.61698499242522, 4.0],
+        [150.87238173528138, 3.0],
+        [154.12777847813751, 3.0],
+        [157.38317522099365, 1.0],
+        [160.63857196384976, 0.0],
+        [163.89396870670595, 1.0],
+        [167.14936544956208, 3.0],
+        [170.40476219241822, 3.0],
+        [173.66015893527435, 1.0],
+        [176.91555567813052, 0.0],
+        [180.17095242098665, 0.0],
+        [183.42634916384276, 0.0],
+        [186.68174590669895, 0.0],
+        [189.93714264955508, 1.0],
+        [193.19253939241122, 1.0],
+        [196.44793613526735, 0.0],
+        [199.70333287812352, 0.0],
+        [202.95872962097965, 2.0],
+        [206.2141263638358, 0.0],
+        [209.4695231066919, 1.0],
+        [212.7249198495481, 1.0],
+        [215.98031659240422, 0.0],
+        [219.23571333526036, 1.0],
+        [222.4911100781165, 0.0],
+        [225.74650682097268, 1.0],
+        [229.00190356382876, 1.0],
+        [232.25730030668495, 0.0],
+        [235.5126970495411, 0.0],
+        [238.76809379239722, 0.0],
+        [242.02349053525336, 1.0],
+        [245.2788872781095, 0.0],
+        [248.53428402096563, 0.0],
+        [251.78968076382176, 1.0],
+        [255.04507750667793, 0.0],
+        [258.3004742495341, 0.0],
+        [261.55587099239017, 0.0],
+        [264.81126773524636, 0.0],
+        [268.06666447810244, 0.0],
+        [271.32206122095863, 0.0],
+        [274.5774579638147, 0.0],
+        [277.8328547066709, 0.0],
+        [281.0882514495271, 0.0],
+        [284.34364819238317, 1.0],
+        [287.59904493523936, 0.0],
+        [290.85444167809544, 0.0],
+        [294.10983842095163, 0.0],
+        [297.3652351638077, 0.0],
+        [300.6206319066639, 0.0],
+        [303.8760286495201, 0.0],
+        [307.1314253923762, 0.0],
+        [310.38682213523236, 1.0],
+        [313.64221887808844, 0.0],
+        [316.89761562094463, 0.0],
+        [320.1530123638007, 1.0],
+        [323.4084091066569, 0.0],
+        [326.66380584951304, 0.0],
+        [329.9192025923692, 1.0],
+        [333.17459933522537, 0.0],
+        [336.42999607808144, 0.0],
+        [339.68539282093764, 1.0],
+        [342.9407895637937, 0.0],
+        [346.1961863066499, 0.0],
+        [349.45158304950604, 0.0],
+        [352.7069797923622, 0.0],
+        [355.96237653521837, 0.0],
+        [359.21777327807445, 1.0],
+        [362.47317002093064, 0.0],
+        [365.7285667637867, 0.0],
+        [368.9839635066429, 0.0],
+        [372.239360249499, 0.0],
+        [375.4947569923552, 0.0],
+        [378.75015373521137, 0.0],
+        [382.00555047806745, 0.0],
+        [385.26094722092364, 0.0],
+        [388.5163439637797, 0.0],
+        [391.7717407066359, 0.0],
+        [395.027137449492, 0.0],
+        [398.2825341923482, 0.0],
+        [401.5379309352044, 0.0],
+        [404.79332767806045, 0.0],
+        [408.04872442091664, 0.0],
+        [411.3041211637727, 0.0],
+        [414.5595179066289, 0.0],
+        [417.814914649485, 0.0],
+        [421.0703113923412, 1.0],
+        [424.3257081351973, 0.0],
+        [427.58110487805345, 0.0],
+        [430.83650162090964, 0.0],
+        [434.0918983637657, 0.0],
+        [437.3472951066219, 0.0],
+        [440.602691849478, 0.0],
+        [443.8580885923342, 0.0],
+        [447.1134853351903, 0.0],
+        [450.36888207804645, 0.0],
+        [453.62427882090265, 0.0],
+        [456.8796755637587, 0.0],
+        [460.1350723066149, 0.0],
+        [463.390469049471, 0.0],
+        [466.6458657923272, 0.0],
+        [469.90126253518326, 0.0],
+        [473.15665927803946, 0.0],
+        [476.41205602089565, 0.0],
+        [479.6674527637517, 0.0],
+        [482.9228495066079, 0.0],
+        [486.178246249464, 0.0],
+        [489.4336429923202, 0.0],
+        [492.6890397351764, 0.0],
+        [495.94443647803246, 0.0],
+        [499.19983322088865, 0.0],
+        [502.4552299637447, 0.0],
+        [505.7106267066009, 0.0],
+        [508.966023449457, 0.0],
+        [512.2214201923132, 0.0],
+        [515.4768169351694, 0.0],
+        [518.7322136780255, 0.0],
+        [521.9876104208815, 0.0],
+        [525.2430071637377, 0.0],
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+        [570.8185615637237, 2.0],
+        [574.0739583065799, 0.0],
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+        [616.3941159637097, 0.0],
+        [619.6495127065659, 1.0]
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+      t1: 171.91550243418868,
+      t10: 58.079560454031885,
+      t50: 20.413561435785848,
+      counts: { t50: 1190, t10: 238, t1: 23 }
+    }