diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/InChi/InChi.spec.ts-snapshots/Open-and-Save-file---Generate-structure-from-InChI-String---Structure-with-stereobonds-1-chromium-linux.png b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/InChi/InChi.spec.ts-snapshots/Open-and-Save-file---Generate-structure-from-InChI-String---Structure-with-stereobonds-1-chromium-linux.png index ccc8b32543..19fec22583 100644 Binary files a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/InChi/InChi.spec.ts-snapshots/Open-and-Save-file---Generate-structure-from-InChI-String---Structure-with-stereobonds-1-chromium-linux.png and b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/InChi/InChi.spec.ts-snapshots/Open-and-Save-file---Generate-structure-from-InChI-String---Structure-with-stereobonds-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-V3000-file-with-R-Groups-with-Fragments-1-chromium-linux.png b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-V3000-file-with-R-Groups-with-Fragments-1-chromium-linux.png index fb838659b8..e04aec7361 100644 Binary files a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-V3000-file-with-R-Groups-with-Fragments-1-chromium-linux.png and b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-V3000-file-with-R-Groups-with-Fragments-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-and-Save-file---Open-Save-file-with-R-Groups-1-2---open-1-chromium-linux.png b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-and-Save-file---Open-Save-file-with-R-Groups-1-2---open-1-chromium-linux.png index a47f726331..4b7f6f1d91 100644 Binary files a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-and-Save-file---Open-Save-file-with-R-Groups-1-2---open-1-chromium-linux.png and b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/MOL-Files/mol-files.spec.ts-snapshots/Open-and-Save-file---Open-Save-file-with-R-Groups-1-2---open-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Open-structure-in-another-editor-1-chromium-linux.png b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Open-structure-in-another-editor-1-chromium-linux.png index 9c6c8bced4..f6e501498e 100644 Binary files a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Open-structure-in-another-editor-1-chromium-linux.png and b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Open-structure-in-another-editor-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Paste-CDXML-1-chromium-linux.png b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Paste-CDXML-1-chromium-linux.png index 9c6c8bced4..f6e501498e 100644 Binary files a/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Paste-CDXML-1-chromium-linux.png and b/ketcher-autotests/tests/File-Management/Open-And-Save-Files/cdxml-files.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Paste-CDXML-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/User-Interface/Outline-For-Hovered-Structures/outline-for-hovered-structures.spec.ts b/ketcher-autotests/tests/User-Interface/Outline-For-Hovered-Structures/outline-for-hovered-structures.spec.ts index 6f22e85625..9e84209429 100644 --- a/ketcher-autotests/tests/User-Interface/Outline-For-Hovered-Structures/outline-for-hovered-structures.spec.ts +++ b/ketcher-autotests/tests/User-Interface/Outline-For-Hovered-Structures/outline-for-hovered-structures.spec.ts @@ -8,7 +8,7 @@ import { // shift of coordinates relative to the center, for the hover of the entire structure: const screenCenterShift = 50; -test.describe('Open Ketcher', () => { +test.describe('Outline for hovered structures', () => { test.beforeEach(async ({ page }) => { await page.goto(''); }); diff --git a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-right-click-menu-for-atoms-1-chromium-linux.png b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-right-click-menu-for-atoms-1-chromium-linux.png index 7363d1617a..17d5bd34b3 100644 Binary files a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-right-click-menu-for-atoms-1-chromium-linux.png and b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-right-click-menu-for-atoms-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-menu-Enhanced-ster-0f28b-f-atom-does-not-have-enhanced-stereochemistry-1-chromium-linux.png b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-menu-Enhanced-ster-0f28b-f-atom-does-not-have-enhanced-stereochemistry-1-chromium-linux.png index b6ed352fde..4ab1215620 100644 Binary files a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-menu-Enhanced-ster-0f28b-f-atom-does-not-have-enhanced-stereochemistry-1-chromium-linux.png and b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-menu-Enhanced-ster-0f28b-f-atom-does-not-have-enhanced-stereochemistry-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-the-menu-Enhanced--751a5-out-if-the-atom-have-enhanced-stereochemistry-1-chromium-linux.png b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-the-menu-Enhanced--751a5-out-if-the-atom-have-enhanced-stereochemistry-1-chromium-linux.png index 0ec1a9edcf..be04aab5af 100644 Binary files a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-the-menu-Enhanced--751a5-out-if-the-atom-have-enhanced-stereochemistry-1-chromium-linux.png and b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Check-that-the-menu-Enhanced--751a5-out-if-the-atom-have-enhanced-stereochemistry-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Right-click-on-an-Atom-with-s-dae3c-roup-tool-not-opens-S-Group-Properties-window-1-chromium-linux.png b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Right-click-on-an-Atom-with-s-dae3c-roup-tool-not-opens-S-Group-Properties-window-1-chromium-linux.png index cab5d01641..672a5e7aaf 100644 Binary files a/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Right-click-on-an-Atom-with-s-dae3c-roup-tool-not-opens-S-Group-Properties-window-1-chromium-linux.png and b/ketcher-autotests/tests/User-Interface/Right-Click-Menu/right-click.spec.ts-snapshots/Right-click-menu-Right-click-on-an-Atom-with-s-dae3c-roup-tool-not-opens-S-Group-Properties-window-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/User-Interface/Zoom-Changes/zoom-changes.spec.ts-snapshots/Zoom-changes-when-using-ctrl-mouse-scroll-down-1-chromium-linux.png b/ketcher-autotests/tests/User-Interface/Zoom-Changes/zoom-changes.spec.ts-snapshots/Zoom-changes-when-using-ctrl-mouse-scroll-down-1-chromium-linux.png new file mode 100644 index 0000000000..e007e82a78 Binary files /dev/null and b/ketcher-autotests/tests/User-Interface/Zoom-Changes/zoom-changes.spec.ts-snapshots/Zoom-changes-when-using-ctrl-mouse-scroll-down-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/User-Interface/Zoom-Changes/zoom-changes.spec.ts-snapshots/Zoom-changes-when-using-ctrl-mouse-scroll-up-1-chromium-linux.png b/ketcher-autotests/tests/User-Interface/Zoom-Changes/zoom-changes.spec.ts-snapshots/Zoom-changes-when-using-ctrl-mouse-scroll-up-1-chromium-linux.png new file mode 100644 index 0000000000..e62817a65f Binary files /dev/null and b/ketcher-autotests/tests/User-Interface/Zoom-Changes/zoom-changes.spec.ts-snapshots/Zoom-changes-when-using-ctrl-mouse-scroll-up-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/test-data/Attached data-expected.mol b/ketcher-autotests/tests/test-data/Attached data-expected.mol index 7c12a226a2..170f04e135 100644 --- a/ketcher-autotests/tests/test-data/Attached data-expected.mol +++ b/ketcher-autotests/tests/test-data/Attached data-expected.mol @@ -1,5 +1,5 @@ - Ketcher 72823 8572D 1 1.00000 0.00000 0 + Ketcher 8 123 7262D 1 1.00000 0.00000 0 10 9 0 0 1 0 0 0 0 0999 V2000 13.0438 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/Attached data_V3000-expected.mol b/ketcher-autotests/tests/test-data/Attached data_V3000-expected.mol index 91324e442d..e27b724539 100644 --- a/ketcher-autotests/tests/test-data/Attached data_V3000-expected.mol +++ b/ketcher-autotests/tests/test-data/Attached data_V3000-expected.mol @@ -1,5 +1,5 @@ - -INDIGO-07282308572D + -INDIGO-08012307262D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB diff --git a/ketcher-autotests/tests/test-data/V2000-abs-expected.mol b/ketcher-autotests/tests/test-data/V2000-abs-expected.mol index 17f4ac6c58..59650c3b4d 100644 --- a/ketcher-autotests/tests/test-data/V2000-abs-expected.mol +++ b/ketcher-autotests/tests/test-data/V2000-abs-expected.mol @@ -1,5 +1,5 @@ - Ketcher 72823 8572D 1 1.00000 0.00000 0 + Ketcher 8 123 7262D 1 1.00000 0.00000 0 43 47 0 0 1 0 0 0 0 0999 V2000 16.2423 -8.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/V3000-abs-expected.mol b/ketcher-autotests/tests/test-data/V3000-abs-expected.mol index 0de08939d5..9b4efbb13a 100644 --- a/ketcher-autotests/tests/test-data/V3000-abs-expected.mol +++ b/ketcher-autotests/tests/test-data/V3000-abs-expected.mol @@ -1,5 +1,5 @@ - -INDIGO-07282308572D + -INDIGO-08012307262D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB diff --git a/ketcher-autotests/tests/test-data/atom-properties-V3000-expected.mol b/ketcher-autotests/tests/test-data/atom-properties-V3000-expected.mol index 076eb609ea..3de642f6ca 100644 --- a/ketcher-autotests/tests/test-data/atom-properties-V3000-expected.mol +++ b/ketcher-autotests/tests/test-data/atom-properties-V3000-expected.mol @@ -1,5 +1,5 @@ - -INDIGO-07282308572D + -INDIGO-08012307252D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB diff --git a/ketcher-autotests/tests/test-data/heteroatoms-V3000-expected.mol b/ketcher-autotests/tests/test-data/heteroatoms-V3000-expected.mol index 4e4d13fadc..ddea0f1c40 100644 --- a/ketcher-autotests/tests/test-data/heteroatoms-V3000-expected.mol +++ b/ketcher-autotests/tests/test-data/heteroatoms-V3000-expected.mol @@ -1,5 +1,5 @@ - -INDIGO-07282308572D + -INDIGO-08012307262D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB diff --git a/ketcher-autotests/tests/test-data/heteroatoms-expected.mol b/ketcher-autotests/tests/test-data/heteroatoms-expected.mol index e46d6b0c26..93b346cfbd 100644 --- a/ketcher-autotests/tests/test-data/heteroatoms-expected.mol +++ b/ketcher-autotests/tests/test-data/heteroatoms-expected.mol @@ -1,5 +1,5 @@ - Ketcher 72823 8572D 1 1.00000 0.00000 0 + Ketcher 8 123 7262D 1 1.00000 0.00000 0 9 8 0 0 0 0 0 0 0 0999 V2000 12.6109 -9.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/ketcher (4)-expected.mol b/ketcher-autotests/tests/test-data/ketcher (4)-expected.mol index 160adc3384..450f06e7fb 100644 --- a/ketcher-autotests/tests/test-data/ketcher (4)-expected.mol +++ b/ketcher-autotests/tests/test-data/ketcher (4)-expected.mol @@ -1,5 +1,5 @@ - Ketcher 72823 8572D 1 1.00000 0.00000 0 + Ketcher 8 123 7262D 1 1.00000 0.00000 0 17 16 0 0 0 0 0 0 0 0999 V2000 10.8788 -10.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/markush-expected.mol b/ketcher-autotests/tests/test-data/markush-expected.mol index 0916484d75..b9d2bac6f2 100644 --- a/ketcher-autotests/tests/test-data/markush-expected.mol +++ b/ketcher-autotests/tests/test-data/markush-expected.mol @@ -7,18 +7,18 @@ $HDR $END HDR $CTAB 12 12 0 0 0 0 0 0 0 0999 V2000 - 16.1297 -8.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.8611 -8.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.9971 -8.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.8611 -9.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.1297 -9.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.9993 -10.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.9971 -7.0801 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 - 15.2587 -8.0760 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 - 15.2630 -10.0848 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 - 16.9993 -11.0763 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 - 18.7241 -10.0782 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 - 18.7258 -8.0792 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 + 16.1297 -8.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.8611 -8.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.9971 -8.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.8611 -9.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.1297 -9.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.9993 -10.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.9971 -7.2301 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2587 -8.2260 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2630 -10.2348 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 + 16.9993 -11.2263 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7241 -10.2282 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7258 -8.2292 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 6 4 1 0 0 0 0 5 6 2 0 0 0 0 2 3 1 0 0 0 0 @@ -39,19 +39,19 @@ $RGP 1 $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 - 13.7212 -12.7315 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7212 -12.8815 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END $END CTAB $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 - 16.1007 -12.7315 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 16.1007 -12.8815 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END $END CTAB $CTAB 1 0 0 0 0 0 0 0 0 0999 V2000 - 18.4424 -12.7315 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 18.4424 -12.8815 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END $END CTAB diff --git a/ketcher-autotests/tests/test-data/mol-1848-to-compare-expectedV2000.mol b/ketcher-autotests/tests/test-data/mol-1848-to-compare-expectedV2000.mol index 0612636e48..2bdbc1032c 100644 --- a/ketcher-autotests/tests/test-data/mol-1848-to-compare-expectedV2000.mol +++ b/ketcher-autotests/tests/test-data/mol-1848-to-compare-expectedV2000.mol @@ -1,5 +1,5 @@ - Ketcher 72823 8572D 1 1.00000 0.00000 0 + Ketcher 8 123 7272D 1 1.00000 0.00000 0 6 6 0 0 0 0 0 0 0 0999 V2000 13.8348 -7.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/mol_1855_to_open-expected.mol b/ketcher-autotests/tests/test-data/mol_1855_to_open-expected.mol index 8b66358148..0746188799 100644 --- a/ketcher-autotests/tests/test-data/mol_1855_to_open-expected.mol +++ b/ketcher-autotests/tests/test-data/mol_1855_to_open-expected.mol @@ -1,5 +1,5 @@ - Ketcher 72823 8562D 1 1.00000 0.00000 0 + Ketcher 8 123 7252D 1 1.00000 0.00000 0 27 26 0 0 0 0 0 0 0 0999 V2000 8.8623 -7.1558 0.0000 N 0 0 0 0 0 4 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/r-group-V3000-expectedV3000.rxn b/ketcher-autotests/tests/test-data/r-group-V3000-expectedV3000.rxn index 3426b92009..d85f816358 100644 --- a/ketcher-autotests/tests/test-data/r-group-V3000-expectedV3000.rxn +++ b/ketcher-autotests/tests/test-data/r-group-V3000-expectedV3000.rxn @@ -1,6 +1,6 @@ $RXN V3000 - -INDIGO- 0728230857 + -INDIGO- 0801230727 M V30 COUNTS 1 1 M V30 BEGIN REACTANT diff --git a/ketcher-autotests/tests/test-data/r-group-expected.mol b/ketcher-autotests/tests/test-data/r-group-expected.mol index 678fa70702..a6ef6b4d61 100644 --- a/ketcher-autotests/tests/test-data/r-group-expected.mol +++ b/ketcher-autotests/tests/test-data/r-group-expected.mol @@ -7,14 +7,14 @@ $HDR $END HDR $CTAB 8 7 0 0 0 0 0 0 0 0999 V2000 - 13.1925 -7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.0585 -7.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.9245 -7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.7905 -7.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.6565 -7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.5225 -7.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.3885 -7.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.2545 -7.1129 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1925 -7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0585 -7.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9245 -7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.7905 -7.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.6565 -7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.5225 -7.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.3885 -7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 19.2545 -7.2629 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -30,9 +30,9 @@ $RGP 1 $CTAB 3 2 0 0 0 0 0 0 0 0999 V2000 - 14.0657 -14.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.9317 -15.0471 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 - 14.0657 -13.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0657 -14.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9317 -15.1971 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0657 -13.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 M APO 1 1 1 @@ -40,12 +40,12 @@ M END $END CTAB $CTAB 6 5 0 0 0 0 0 0 0 0999 V2000 - 17.1067 -14.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.9727 -14.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.6972 -13.8805 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 17.7227 -15.5987 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 18.7894 -15.0771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 17.1067 -13.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1067 -14.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.9727 -14.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 18.6972 -14.0305 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 17.7227 -15.7487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 18.7894 -15.2271 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1067 -13.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/rxn-1849-to-compare-expectedV2000.rxn b/ketcher-autotests/tests/test-data/rxn-1849-to-compare-expectedV2000.rxn index 3c13e527cf..8950dc82b6 100644 --- a/ketcher-autotests/tests/test-data/rxn-1849-to-compare-expectedV2000.rxn +++ b/ketcher-autotests/tests/test-data/rxn-1849-to-compare-expectedV2000.rxn @@ -1,11 +1,11 @@ $RXN - -INDIGO- 0728230857 + -INDIGO- 0801230727 1 1 $MOL - -INDIGO-07282308572D + -INDIGO-08012307272D 6 6 0 0 0 0 0 0 0 0999 V2000 13.8348 -7.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 @@ -23,7 +23,7 @@ $MOL M END $MOL - -INDIGO-07282308572D + -INDIGO-08012307272D 6 6 0 0 0 0 0 0 0 0999 V2000 13.8348 -2.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/sec-butyl-abr-expectedV2000.rxn b/ketcher-autotests/tests/test-data/sec-butyl-abr-expectedV2000.rxn index 9bc6ac6904..a2074e13a5 100644 --- a/ketcher-autotests/tests/test-data/sec-butyl-abr-expectedV2000.rxn +++ b/ketcher-autotests/tests/test-data/sec-butyl-abr-expectedV2000.rxn @@ -1,11 +1,11 @@ $RXN - -INDIGO- 0728230857 + -INDIGO- 0801230727 2 1 $MOL - -INDIGO-07282308572D + -INDIGO-08012307272D 5 5 0 0 0 0 0 0 0 0999 V2000 17.7898 -10.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 @@ -21,7 +21,7 @@ $MOL M END $MOL - -INDIGO-07282308572D + -INDIGO-08012307272D 10 9 0 0 0 0 0 0 0 0999 V2000 7.7284 -9.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 @@ -52,7 +52,7 @@ M SDI 1 4 0.0000 0.0000 0.0000 0.0000 M END $MOL - -INDIGO-07282308572D + -INDIGO-08012307272D 17 17 0 0 0 0 0 0 0 0999 V2000 23.4906 -10.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/sec_butyl_abr-expected.mol b/ketcher-autotests/tests/test-data/sec_butyl_abr-expected.mol index 4da3d608f4..8d5f9487c3 100644 --- a/ketcher-autotests/tests/test-data/sec_butyl_abr-expected.mol +++ b/ketcher-autotests/tests/test-data/sec_butyl_abr-expected.mol @@ -1,5 +1,5 @@ - Ketcher 72823 8572D 1 1.00000 0.00000 0 + Ketcher 8 123 7252D 1 1.00000 0.00000 0 10 9 0 0 0 0 0 0 0 0999 V2000 10.7788 -9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/sec_butyl_abr_V3000-expected.mol b/ketcher-autotests/tests/test-data/sec_butyl_abr_V3000-expected.mol index a8d47bd36d..9699655c14 100644 --- a/ketcher-autotests/tests/test-data/sec_butyl_abr_V3000-expected.mol +++ b/ketcher-autotests/tests/test-data/sec_butyl_abr_V3000-expected.mol @@ -1,5 +1,5 @@ - -INDIGO-07282308572D + -INDIGO-08012307262D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB diff --git a/ketcher-autotests/tests/test-data/spiro-expected.mol b/ketcher-autotests/tests/test-data/spiro-expected.mol index 557e295863..da33c863dd 100644 --- a/ketcher-autotests/tests/test-data/spiro-expected.mol +++ b/ketcher-autotests/tests/test-data/spiro-expected.mol @@ -1,5 +1,5 @@ - -INDIGO-07282308572D + -INDIGO-08012307262D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB