These settings can be relevant by fine tunning of the application or by adapting it to a production environment. Customize these settings may be necessary.
Other settings in application.properties
Compound Registration integration
Merge specific rules into the Knowledge Base
You can configure other settings for Compliance Checker in the application.properties
file.
Roles - with special privileges - can be assigned to different user groups :
Compliance Checker
Category group access can be controlled according to ROLES.
CHemTS
In Chemaxon Cloud the users can be assigned to user groups. Each group translates directly to its corresponding Compliance Checker or cHemTS role according to the mapping below:
Please find the available roles defined in the previous section: User roles in Compliance Checker and in cHemTS.
Roles can be assigned directly to special users by setting the value of the config key. The value should be a comma separated list of ROLES. (E.g.: roles.username=HTS_USER,HTS_CONTENT_MANAGER)
Admin can select Available countries or Selected check levels to be displayed in Regulation categories by setting check.default.regulationCategories key to COUNTRIES or CHECK_LEVELS in application.properties
.
By adding/setting the check.hideCountries key value to true (default is false ) Available countries will not be displayed at all.
(On the System monitor page the Reload settings from config file button should be clicked after editing application.properties
.)
Default regulation categories
The default Report format can be set by the Admin by adding HTML , PDF , SDF , MRV or XLSX value to the batch.default.reportFormat key in application.properties
.
(User's last selection is saved in the mongo DB and will not be modified.) Default report format
The report.xlsx.max-image-count parameter sets the maximum number of images generated in .XSXL reports. The default number is 10000. Setting this parameter may prevent the service going down with out of memory error.
cHemTS leverages advanced mixture algorithm in order to be able to decide whether a particular multi-fragment input structure can be classified as a pure form, a salt or a mixture.
The algorithm can be fine-tuned by amending the list of known ignorable fragments. These fragments are either entirely discarded (in case of solvents or additives) or their salt characters are taken into consideration by the algorithm.
Ignorable fragments can be excluded or included on demand, the following configuration options need to be changed accordingly:
Multiple structures can be listed separated by comma. E.g.
Each structure must be represented by SMILES format. In case of including new salts, their characters must be also set. Salt characters can be separated from the structure by semicolon. E.g.
Our LDAP configuration object is a list of configurations of LDAP servers.
Each server configuration can hold several attributes. Each of them can be left empty, left out from configuration string or can be set to null.
In this case, they will be used by their default values.
One server holds the following possible settings:
Attribute name | Attribute type | Default value | Example | Explanation |
---|---|---|---|---|
serverUrl | String | ldap://localhost:389 | "ldaps://ldap.mycompany.com:621" or "ldap://ldap2.cmp.com/dc=cmp,dc=com" | The URL where the system can reach the LDAP server. |
userDNPatterns | List of Strings | [ ] | [ "uid={0},dc=mycompany,dc=com", "uid={0},ou=internal,dc=mycompany,dc=com" ] | These patterns will be used to find the User by its distinguished name.The part between the curly brackets will be replaced by the username.If this setting is left empty, then user distinguished name won't be used in the user authentication. |
groupSearchBase | String | "" | "ou=InternalGroups,dc=mycompany,dc=com" | The base DN from which the search for group membership should be performed. |
groupSearchFilter | String | "" | "(member={0})" | The pattern to be used for the user search. {0} is the user's DN |
userSearchBase | String | "" | "ou=Users,dc=mycompany,dc=com" | This element of the LDAP tree will be used as the root element during user search. In case it is left empty, the root of the LDAP tree will be used. If you use userSearchFilter, than you must provide userSearchBase as well. |
userSearchFilter | String | "" | "sAMAccountName={0}" | In case the users are not found by their distinguished name, user search will happen. The part with the curly brackets will be replaced with the username that used to log in. In case of **Active Directory, ** usually sAMAccountName is required to log in. You can not use userSearchFilter without userSearchBase. |
managerDN | String | "" | "dn=admin,dc=mycompany,dc=com" or "admin@mycompany.com" | This is the name of the manager user. This name will be used to bind to the LDAP server. The second format can be used to log in to Active Directory through LDAP. |
managerPassword | String | "" | "s3cr3tp455w0rd" | This is the password of the manager user. |
root | String | "" | "dc=mycompany,dc=com" | In case the serverURL does not contain the root of the LDAP search, then it can be set here. If it is left empty, then root from URL will be used. Active Directory usually requests root to be set separately for binding. |
This configuration uses two servers (an LDAP and an Active Directory) and has all attributes: LDAP config
This means the same as the following: Shorter Config
Consider using the shorter config format because in application.properties, the config must be in one single line , like this: Config in one line
Example settings for 2 Active Directory servers
Okta integration is supported for service 'cc-web' from version 23.8.0.
To integrate Compliance Checker UI (cc-web) with Okta the following configuration steps need to be made:
Create App Integration in Okta
Add the following lines to cc-web's configuration file (<installdir>/cc-web/application.properties)
Custom scopes and groups claim can also be configured if needed by adding the following configs:
If you are running cc-web behind a reverse proxy, be sure to add these configs too:
Map Okta groups to desired Compliance Checker roles by editing config 'common.rolesToGroupsMap' in main config file (<installdir>/cc-config/config/application.properties)
Restart Compliance Checker services so configurations can take effect
Note: Okta integration only implemented for Compliance Checker UI (cc-web). To protect the integration endpoints (cc-api) you have to chose from one of the already existing authentication methods.
Chemaxon Compound Registration integration has been available since Compliance Checker version 24.3.0. This version supports integration only with on-premise deployments.
Integrating the Compliance Checker with Chemaxon Compound Registration enables the direct use registration IDs as inputs in Compliance Checker for single and file checks, as well as API calls, without the need to manually or programmatically translate them into other known chemical formats such as SMILES. The supported ID types include: PCN (Parent Compound Number), CN (Compound Number), LN (Lot Number) and LnbRef (Laboratory NoteBook Reference). Please refer to the ID types defined on this Definition of Terms page.
To integrate, follow these configuration steps:
Register Compliance Checker as a trusted 3rd party client in Compound Registration following the steps describend in Compound Registration - Authentication for trusted 3rd party clients.
Add the following lines to the application.properties
file of Compliance Checker:
Restart the Compliance Checker
After restarting, single and file checks, as well as API endpoint checks, should be able to resolve compounds that were previously registered in Compound Registration.
Please note that the URI following the Compound Registration host may vary and depending on your specific deployment. Any change to the config options listed above will require a restart of Compliance Checker.
The id-pattern
must be a valid Java Regular Expression. Since regular expressions might contain the backslash \
character, which is interpreted as a special-purpose character while the application is parsing the application.properties
configuration file, escaping backlashes with double backslashes is necesary.
This pattern is intended to describe all possible registration IDs to be checked by the Compliance Checker application. If a pattern matches an input, but it is not found in Compound Registration, the check will fail.
Before proceeding with the integration of your systems, we strongly recommend scheduling a consultation to discuss the security aspects involved.
Chemical substances can be checked against some special (e.g. company-specific) rules, too.
MRV files should be created from these rules - with the same data structure as the main Knowledge Base. An MRV file for the specific rules ( rule_structures.mrv ) and another MRV file for the specific exceptions ( exclusion_structures.mrv ).
These files should be copied to the Chemaxon_home/compliancechecker/user folder. (I.e. to the "user" subfolder of the "database" folder. The cc_backend startup process creates that folder with empty MRV files - but these files will never be overwritten automatically.)
Compliance Checker should be restarted to merge these specific rules into the main Knowledge Base.
If you distribute the system you should set the following settings to the services:
Config server is the route of the hierarchy. It should register with Eureka service. If Eureka does not run in localhost:8761
(8761
is the default Eureka port) then you have to set the following property in the application.properties
file:
eureka.client.serviceUrl.defaultZone=http\://<eureka-hostname>\:<eureka-port>/eureka/
If Eureka runs locally for the Config Server , but it is a remote service for the other services, then you should set the above property with an address that is available for all services, because this setting will be populated to all services.
Eureka server is used by all the services. It uses the Config Server to init itself. If the Config Server does not run in localhost:8888
(8888
is the default Config Server port), then you can have to set the following property in bootstrap.properties
file:
spring.cloud.config.uri=http\://<config-server-host>\:<config-server-port>/
The main components of the application come in 4 war
files: cc-backend.war, cc-bigdata.war, cc-web.war, cc-api.
Every war file uses the Config Server to init itself. If the Config Server does not run in localhost:8888, then you have to set for the components where to find the Config Server. One opportunity is to set the CONFIG_SERVER_URI environment variable, or to edit the bootstrap.properties file next to each war file. Or you can set in it in their .vmoptions file. Setting environment variable in unix
export CONFIG_SERVER_URI = http://<config-server-host>:<config-server-port>/
Setting environment variable in windows command line
CONFIG_SERVER_URI = http://<config-server-host>:<config-server-port>/
Set environment variables in .vmoption file
-DCONFIG_SERVER_URI=http://<config-server-host>:<config-server-port>/
Editing bootstrap.properties file
spring.cloud.config.uri=http\://<config-server-host>\:<config-server-port>/
This property will be used in startup time to connect to the Config Server and receive all the properties to use in initialization.
While it is possible to configure the cc-web service to enable SSL so that the users can access the UI directly via HTTPS, we would first recommend to consider the option of using an application load balancer or reverse proxy (such as NGINX) with SSL termination.
In order to enable SSL for cc-web via its configuration, please follow the next steps:
keytool
command of your Java distribution. The exact way of doing this is out of the scope of this documentation as it depends on many factors such as the format of the certificate, which certificate store is supposed to be used, etc.