chem-sketсher-test.md

Tests: chem sketcher

Sketcher is tool for drawing molecule structure or describing it in form of smiles, InCHI, InCHI key, etc.

Testing scenario

1. Open smiles.csv file

2. Open sketcher from Chem | Sketcher

   • "Sketcher" dialog is open
   • There is field for entering smiles, InCHIs, etc.
   • In dialog there is drawing editor for molecule

3. Click on "Filter" button on "Sketcher" dialog

   • No rows fell under filter

4. Cancel filter by Esc key

5. Click on "Select" button on "Sketcher" dialog

   • No rows is selected

6. Draw molecule in the editor that matches CC1=CC(=O)C=CC1=O in smiles format

7. Click on "Select" button on "Sketcher" dialog

   • One row is selected in table that corresponds to molecule drawn in Sketcher

8. Click on "Filter" button on "Sketcher" dialog

   • One row is filtered that corresponds to molecule drawn in Sketcher

9. Cancel filter and selection by Esc key

10. Enter [N+](=O)([O-])C1=CNC(=N)S1 in sketcher text field

    • Molecule was drawn in editor corresponding to entered smiles

11. Add molecule "Favorites" using "Hamburger" menu near sketcher text field

    • Added molecule appeared in favorites list under "Hamburger" menu

12. Enter InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3 in sketcher text field

    • Molecule was drawn in editor corresponding to entered InCHI

13. Repeat step 9 with Inchi Key, ChEMBL id and etc.

14. Select arbitrary molecule in table and add its to "Favorites" (Property Panel | Actions | Add to favorites)

15. Open sketcher from Chem | Sketcher and expand "Hamburger" menu near sketcher text field

    • Added to favorites molecule from table appeared in list

16. Select molecule witch added from table from the list under "Hamburger" menu

    • Text field of Sketcher filled with molecule description in smiles format
    • Selected molecule structure was drawn in editor

See also:

• Get R Groups Test
• Chem Descriptors Test
• Cheminformatics Tes