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Introduce Graph format to Ketcher (#55)
* Remove unused style | .eslint * struct schema + validation test * tmp - don't see now * rgroup, sgroup to schema * atoms + bonds to graph * sgroups (w/o DATA) + rgroups | fragments * rgroups TMP * Correct schemes: Add `rg-label` with ref to Rgroup. Add RGroup schema. Add rootSchema. Add validation example. * Correct writing RGroups to Graph * atom-list, data-sgroups * graph parser v1.0.0-alpha * Root field to Graph * Refactor SGroupForest * remove molecule ref * remove validate method (checkOverlapping do his work before him) * graph parser v1.0.1-alpha code simplification + rgroups merging * tmp * rxn * Add new class `Fragment` for storage enhanced stereo flags Now, struct.frags - Map of `Fragment`; Fragment has methods for updating: - enhancedStereoFlag - marks in stereo atoms * update struct.mergeInto() with frag.clone(); * rxn * Add op.UpdateStereoAtom * add op.UpdateStereoAtom call to `fromBondAddition` * update `stereo` field in Struct.Bond * add `stereoParity` field for Struct.Atom * Add stereoChemistry info to GraphFormat * [tmp] fromBondStereoUpdate... * Actions for Deletions refactor. Add UpdateStereo to FragmentSplit * [tmp] Upgrage operation (now undo not working) * func instead 2 switchers * works TMP * Update StereoFrag operations | Split op to several files [WIP] * Atom, Bond, Fragment Deletion actions with stereo works correctly * eslint quiet option * [eslint] Correct SwitchCase indent * test + watcher + fixes * [WIP] Add Enhanced Stereo dialog * [WIP] First prototype of change atom marks * [WIP] small corrections * [WIP] Add Graph format to Save dialog * tests * Add enhanced Fragment and Atom dialogs | Refactor enhanced tool * Chiral button was hidden * [tmp] add stereo label to reatom.show() * [tmp] 1 enhanced dialog, default stereo label change to AND-1 * Enhanced flag move * tests for validator + true file structure * Absolute label always w/o group number * Reatom and ReEnhancedFlag corrections * tests for validator * StereoLabel info to atom property * correct fragment operations * it has bug with undo after delete atom * Correct struct of Internal format * Erace actions correct * Remove Chiral flag. Update V2000, V3000 reading * Small clean * graph --> struct parser done EPMLSOPKET-1316 * Fix after merge * add header to graph --> struct parser * Graph opening EPMLSOPKET-1317 * Copy/paste internal format support * sgroup display EPMLSOPKET-1319 * Fix bugs with Rgroup and merging operations * New molecule flags correct * plus hotfix + sgroup display (2 fields: display and attached) EPMLSOPKET-1321 (plus hotfix) * sgroup display fix fields (2 fields: display and *placement) * Sgroup parser done * Help information already has table with supported formats * add missing test for rxnToStruct.test.js * fix issue related to io.js * change some settings * fix IO test * fix and add new tests to moleculeToStruct.test.js * fix bug with rgroups.mol * add new test blocks to moleculeToStruct.test.js * rename scripts in package.json * delete unnecessary gitlab file * remove gulp lint task * remove TODO and empty lines * Update src/script/chem/molfile/molfile.js Co-authored-by: Nikita Ryzhov <vesdet@gmail.com> * fix molfile.js * delete unnecessary todos * set Copyright to 2020 for new files * add enhanced-stereo icon * add new test structures * fix moleculeToStruct test * change enhanced-stereo icon * set Copyright to 2020 for op.js * fix * fix * delete unnecessary TODO * delete loadStruct from index.js Co-authored-by: Nikita_Ryzhov <Nikita_Ryzhov@epam.com> Co-authored-by: Damir_Giliazetdinov <Damir_Giliazetdinov@epam.com> Co-authored-by: Anna Kuznetsova1 <Anna_Kuznetsova1@epam.com> Co-authored-by: Nikita Ryzhov <vesdet@gmail.com>
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"test": { | ||
"presets": ["@babel/preset-env"], | ||
"plugins": [ | ||
["transform-builtin-extend", { | ||
"globals": ["Set", "Map"] | ||
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