JChem Chemical Terms Field
The JChem Chemical Terms Field allows the users to perform chemical terms calculation on structures by choosing the field where the structure is stored and specify a chemical term which has as result a numerical or text value. The value will be stored until the chemical terms is modified or the source column is changed. Results from JChem Chemical Terms Field can be sorted and filtered within a new custom view or at runtime by using SharePoint's build in sorting and filtering menu on the column headers.
How to use the JChem Chemical Terms field in a SharePoint list
Step 1: Select an existing custom list which has at least a JChem structure field and which contains some items with structures.
Step 2: Create a new - JChem Chemical Terms type - column with a specified name.
Step 3: Select the following additional column settings:
- Require that this column contains information: No
- Add to default view: Selected
Step 4: Select a structure field to be used for the calculation (Source Structure field; Molecule Source - represents the JChem Structure Field for which you want to calculate).
Step 5: Enter the name of a function (e.g. atomCount) into the Chemical Term field (Molecule Settings section) which needs to be calculated based on the above selected structure field.
Step 6: Save the new column and go back to the list.
The new column is displayed in the list and the atom count values are calculated automatically for the existing structures.
Step 7: Open an existing item and modify the structure in the structure filed by using the structure editor.
Step 8: Save the modification and go back to the list.
The modified structure is displayed in the list and the atom count value is recalculated automatically regarding the modified structure.
Step 9: Add a new item with a structure to the list.
The atom count value is calculated automatically for the new structure
It is possible to add more JChem Chemical Term fields to the same list to calculate different chemical and physical parameters of the structures. You can get a full reference of accepted chemical terms at http://www.chemaxon.com/jchem/marvin/help/chemicalterms/EvaluatorFunctions.html.