@datagrok/hit-triage 1.9.1 → 1.10.0

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Files changed (28) hide show
  1. package/CHANGELOG.md +6 -0
  2. package/CLAUDE.md +199 -0
  3. package/css/hit-triage.css +0 -41
  4. package/dist/package-test.js +1 -1
  5. package/dist/package-test.js.map +1 -1
  6. package/dist/package.js +1 -1
  7. package/dist/package.js.map +1 -1
  8. package/files/pepTriage/campaigns/DMT-1/campaign.json +1 -0
  9. package/files/pepTriage/campaigns/DMT-1/enriched_table.csv +2262 -0
  10. package/files/pepTriage/templates/Demo Template.json +1 -0
  11. package/package.json +6 -4
  12. package/src/app/accordeons/new-campaign-accordeon.ts +24 -6
  13. package/src/app/accordeons/new-pep-triage-template-accordeon.ts +208 -0
  14. package/src/app/accordeons/new-template-accordeon.ts +15 -9
  15. package/src/app/consts.ts +23 -10
  16. package/src/app/dialogs/functions-dialog.ts +14 -221
  17. package/src/app/hit-app-base.ts +3 -6
  18. package/src/app/hit-design-views/info-view.ts +4 -4
  19. package/src/app/hit-triage-app.ts +44 -17
  20. package/src/app/hit-triage-views/info-view.ts +261 -44
  21. package/src/app/pep-triage-app.ts +87 -0
  22. package/src/app/pep-triage-views/info-view.ts +123 -0
  23. package/src/app/types.ts +20 -65
  24. package/src/app/utils/calculate-single-cell.ts +20 -219
  25. package/src/app/utils.ts +100 -123
  26. package/src/package-api.ts +12 -0
  27. package/src/package.g.ts +28 -0
  28. package/src/package.ts +66 -0
package/files/pepTriage/campaigns/DMT-1/campaign.json ADDED
@@ -0,0 +1 @@
1
+ {"name":"DMT-1","templateName":"Demo Template","filters":{},"ingest":{"type":"File","query":"System:AppData/HitTriage/PepTriage/campaigns/DMT-1/enriched_table.csv","molColName":"molfile(Helm)"},"status":"In Progress","createDate":"2026/4/9","campaignFields":{"Chemist":"Davit","Supervisor":"Davit"},"columnSemTypes":{"Helm":"Macromolecule","molfile(Helm)":"Molecule","~molfile(Helm).canonicalSmiles":"Molecule","MolWt":null,"HeavyAtomMolWt":null,"HBA":null,"HBD":null,"Selected hits":null},"rowCount":20,"filteredRowCount":20,"template":{"name":"Demo Template","key":"DMT","sequenceColumnName":"Helm","campaignFields":[{"name":"Chemist","type":"String","required":true},{"name":"Supervisor","type":"String","required":true}],"dataSourceType":"Query","compute":{"descriptors":{"enabled":true,"args":["MolWt","HeavyAtomMolWt"]},"functions":[{"name":"addChemPropertiesColumns","package":"Chem","args":{"MW":false,"HBA":true,"HBD":true,"logP":false,"logS":false,"PSA":false,"rotatableBonds":false,"stereoCenters":false,"moleculeCharge":false}}],"scripts":[],"queries":[]},"submit":{"fName":"demoFileSubmit","package":"HitTriage"},"queryFunctionName":"Demo Peptide Sequences"},"columnTypes":{"Helm":"string","molfile(Helm)":"string","~molfile(Helm).canonicalSmiles":"string","MolWt":"double","HeavyAtomMolWt":"double","HBA":"int","HBD":"int","Selected hits":"bool"},"authorUserId":"878c42b0-9a50-11e6-c537-6bf8e9ab02ee","authorUserFriendlyName":"Admin","lastModifiedUserName":"Admin","permissions":{"view":["a4b45840-9a50-11e6-9cc9-8546b8bf62e6"],"edit":["a4b45840-9a50-11e6-9cc9-8546b8bf62e6"]},"layout":"{\"containerType\":\"fill\",\"state\":{\"width\":1288,\"height\":958,\"documentManager\":true},\"children\":[{\"containerType\":\"panel\",\"state\":{\"width\":1288,\"height\":958,\"element\":{\"id\":\"162d39a0-21a0-11f1-eaf9-696c34517f89\",\"type\":\"Grid\",\"look\":{\"#type\":\"GridLook\",\"showAddNewRowIcon\":true,\"addNewRowOnLastRowEdit\":true,\"rowHeight\":100,\"topLevelDefaultMenu\":true,\"allowColumnMenu\":true,\"columns\":[{\"width\":28,\"backgroundColor\":4294440951,\"customName\":\"\",\"cellType\":\"row header\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"width\":400,\"columnName\":\"Helm\",\"cellType\":\"helm\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"width\":271,\"columnName\":\"molfile(Helm)\",\"cellType\":\"Molecule\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"visible\":false,\"width\":200,\"columnName\":\"~molfile(Helm).canonicalSmiles\",\"cellType\":\"Molecule\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"width\":63,\"columnName\":\"MolWt\",\"cellType\":\"number\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"width\":131,\"columnName\":\"HeavyAtomMolWt\",\"cellType\":\"number\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"width\":53,\"columnName\":\"HBA\",\"cellType\":\"number\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"width\":53,\"columnName\":\"HBD\",\"cellType\":\"number\",\"headerCellStyle\":{\"textWrap\":\"words\"}},{\"width\":101,\"columnName\":\"Selected hits\",\"cellType\":\"bool\",\"headerCellStyle\":{\"textWrap\":\"words\"}}]},\"title\":\"Demo Peptide Sequences\",\"default\":true}},\"children\":[]}],\"floating\":[],\"tableId\":\"d7c4d0b0-21a0-11f1-f9cb-6bf566e482f4\",\"tableName\":\"Demo Peptide Sequences\"}"}