Editing Entities

Creating a New Entity

Data from a database table is represented in IJC by an Entity. To create a new database table you create an IJC Entity for that type of table. IJC currently supports two table types: the standard database table and the JChem Structure table. Standard database tables can be used to store normal numeric and textual data and offer only basic query functionality. JChem Structure tables also allow chemical structures to be stored and offer a rich interface for structure query functionality. It is also possible to add existing tables that are already present in your database to IJC by "promoting" them to Entities.

To create an Entity with a new table:

either: In the Projects window , right-click the Schema node ( or ) that you want to add a new table to and choose 'Edit Schema'. The Schema Editor opens in the main window. In the top left corner of the Schema Editor, select either the New JChem table icon (), or the New Standard table icon (). The New Entity dialog opens to guide you through the process.

or: In the Projects window, right-click the schema node ( or ) that you want to add a new table to and choose 'New xxx Database table' (xxx is the type of table you want). The New Entity dialog opens to guide you through the process.

Note: when creating a new Entity with either of these processes you are actually not only creating the Entity but also a DataTree for it, so that it appears in the Project Explorer and can have Views added to it. This makes it easier to start seeing or adding/editing the data in the database table that you are creating.

Step 1. New Entity Selection:

If you selected the New Standard table icon ():

Enter a name for the new entity in the Display Name text field.
In the Database Table Name text field, specify a name for the table in the database (this should match the Entity name to avoid confusion).
Click Finish. A new standard entity is created in your project, and the database table created. A new Data Tree node for a simple Data Tree () displays under the appropriate database connection in the Projects window.

If you selected the New JChem table icon ():

Make sure the General Settings tab is selected. In the Display Name text field, enter a name for the new entity.
In the Database Table Name text field, specify a name for the database table (this should match the Entity name to avoid confusion).
Use the Table Contents drop-down box to specify the structure types to be included in the JChem Structure Table. Choices are:
- Molecules: discrete structures only
- Reactions: single step reactions
- Query structures: structures with query features
- Markush libraries: structures with Markush features
- Any structures: all types of structures (including reactions, query structures and Markush structures)
Note: If 'Any structures' is selected, structure type-specific search functionality (e.g. reaction searching) will be disabled.
Note: Markush Libraries requires Markush Enumeration and Markush search licenses.
Specify the settings for the JChem property table and the handling of sterochemistry, empty structures and duplicate detection.
Optionally set details for the fingerprint settings and the standardizer using the second and third tabs.
Click Finish. A new Entity is created in your project, as well as a JChem table in the database. A new data tree node for a simple Data Tree () displays under the appropriate database connection in the Projects window.

For more details regarding the JChem Properties Table, the JChem table options, fingerprint settings, and settings for creating a standardizer, please view ChemAxon's: JChem Administration Guide

Deleting an Entity

In the Schema Editor right click on the Entity and choose 'Delete...' from the popup menu. You are presented with a dialog informing you of the other changes that this deletion would cause, and with the option of not deleting the actual database table (removing the entity from IJC but leaving the table in the database). Review the settings and click on the 'OK' Button to perform the deletion.

Promoting an Entity

The database may contain some tables that are not currently used by any Entity. These might have been in the database before it was used by Instant JChem, of might have been created by Instant JChem and then the Entity was deleted without the corresponding table being removed. To see these unused tables click on the 'Filter unused database artifacts' toggle () in the toolbar of the Schema Editor.

To promote a table to an Entity either select the table and click on the 'Promote to Entity' button in its Editor, or click on the 'Existing xxx table' icon in the toolbar ( , xxx is the type of the table, standard or JChem). When promoting a JChem table select the main JChem table, not the one with '_UL' appended to it. A wizard will open and prompt you for any necessary information.