indigo-1.15.0
Pre-release
Pre-release
AlexanderSavelyev
released this
23 Oct 13:44
·
338 commits
to master
since this release
What's Changed
- #1221 An empty structure is returned given incorrect InChi string by @Wadym in #1228
- #1224 Different indent after loading reaction from file and after layout it by @AliaksandrDziarkach in #1227
- #914 Why is the code InChI=123 valid by @Wadym in #1229
- Revert: #1033 CDXML: expanded abbreviation opens as contracted from .cdxm files by @even1024 in #1234
- #1245 Reaction/Molecule autoloaders don't load SMARTS by @AliaksandrDziarkach in #1243
- #1252 SMARTS loader load grouped components as separate molecules by @AliaksandrDziarkach in #1255
- #1254 SMARTS with component-level grouping saved without '()' by @AliaksandrDziarkach in #1266
- #1282 SMARTS load/save errors in Indigo. by @AliaksandrDziarkach in #1284
- #1285 Add new query properties support to KET format by @AliaksandrDziarkach in #1286
- #1287 New S-Group type Query component level grouping by @AliaksandrDziarkach in #1288
- #1278 Indigo-service. Remove Mithril library dependency from UI module by @bodyangug in #1275
- #1302 Pylint cause error "too many arguments" by @AliaksandrDziarkach in #1301
- #1296 Add "customQuery" option support to ket format by @AliaksandrDziarkach in #1297
- #1316 SMARTS saver miss component level grouping by @AliaksandrDziarkach in #1317
- #1303 Return original format by @AliaksandrDziarkach in #1315
- #1310 Error while opening SMARTS contains comma by @AliaksandrDziarkach in #1327
- #1184 Support monomer templates export into KET-format by @even1024 in #1251
- #1183 Support monomer templates import from KET-format by @even1024 in #1335
- #1319 Directional bonds not work with SMARTS by @AliaksandrDziarkach in #1326
- #1338 Use docker image for building npm packages and apply tags while publish by @AlexanderSavelyev in #1339
- #1309 Error appears while trying to save some element with set up H count and implicit H count by @AliaksandrDziarkach in #1336
- #1281 Support SMARTS "or unspecified" bond property by @AliaksandrDziarkach in #1341
- #1328 Chirality is not added to the SMARTS file by @AliaksandrDziarkach in #1343
- #1325 Indigo should return warning for some attributes by @AliaksandrDziarkach in #1344
- #1331 Ring bond count 'As drawn' saved wrong by @AliaksandrDziarkach in #1352
- #1351 Error returned when try to convert structure with custom query… by @AliaksandrDziarkach in #1353
- #1349 Symbol for topology chain is missing in SMARTS file by @AliaksandrDziarkach in #1354
- #1292 valid SMARTS with cycles cause error in loader by @AliaksandrDziarkach in #1356
- #1358 Error while loading [!#6,!#7,!#8] smarts by @AliaksandrDziarkach in #1361
- #1330 Implicit H count is not added to the SMARTS file by @AliaksandrDziarkach in #1365
- #1355 Error appears when pressing 'Layout" by @AliaksandrDziarkach in #1364
- #1304 Indigo accepts [#6] notation in SMILES mode by @AliaksandrDziarkach in #1363
- #1360 Wrong ordering of atoms in atom list by @AliaksandrDziarkach in #1368
- #1337 List of atoms from custom query is converted into SMARTS filу without aliphatic attribute by @AliaksandrDziarkach in #1373
- #1332 Aromatic atom list is not recognized in SMARTS query by @AliaksandrDziarkach in #1370
- #1376 SMARTS file is paste into Ketcher as SMILES file by @AliaksandrDziarkach in #1375
- #1362 Valence is not added to the SMARTS file by @AliaksandrDziarkach in #1379
- #1371 Chirality symbol is added to the SMARTS when 'single up/down' or 'double cis/trans' bond type is set up by @AliaksandrDziarkach in #1382
- #1372 Wildcard symbol ('any') with logical operators at custom query for bond is missing at SMARTS by @AliaksandrDziarkach in #1386
Full Changelog: indigo-1.14.0-rc.1...indigo-1.15.0-rc.2