Tests: To inchi (inchi key)

Performs conversion from smiles to InChi and InChi key formats

Testing scenario

Open "smiles" table
Convert smiles column to InChi from its context menu - Chem | To InChi (or Chem | To InChi action in "Actions" tab on Property Panel) for smiles column)
- Process bar shows conversion process
- New column InChI added to table
- InChI column contains values in InChi respectively values in smiles for each row
Convert smiles column to InChi Key from its context menu - Chem | To InChi Key (or Chem | To InChi Key action in "Actions" tab on Property Panel) for smiles column)
- Process bar shows conversion process
- New column InChI Key added to table
- InChI Key column contains values in InChi respectively values in smiles for each row

Retrieves chemical identifiers for the specified source, using UniChem database.

Open "smiles" table
Open "Map Identifiers" dialog from context menu of smiles column - Chem | Map Identifiers (or Chem | Map Identifiers action in "Actions" tab on Property Panel) for smiles column)
- "Get Identifiers" dialog is open
- There are three fields in dialog: "Table", "Column", "Source"
- Until value for "Source" field not selected, it's highlighted with red and OK is not active for clicking
Select "actor" value for "Source" field and execute dialog
- Process bar shows process
- New column actor added to table
- actor column contains matching chem ids for molecules in table
- If row is empty, then corresponding molecule is missing in source database
Repeat step 2 for all available sources
Open Tools | Console
- Console displays all ChemMapIdentifiers() functions performed in previous steps
Open "Map Identifiers" dialog history
- History contains all previous runs with their parameters