Please see also doc here: https://docs.chemaxon.com/display/docs/design-hub-developer-guide-real-time-plugins.md
The only thing you need to do is to implement com.chemaxon.designhub.plugin.interfaces.RealtimePluginInterface
Source: RealtimePluginInterface
Most simple way is to use this project and edit PluginLogic.java file.
To be able to build this example project credentials for hub.chemaxon.com Maven repository must be configured. See documentation here and example gradle.properties
@Component
public class PluginLogic implements RealtimePluginInterface<PluginSettings> {
private static final Logger logger = LoggerFactory.getLogger(PluginLogic.class);
private final PluginSettings myDefaultSettings = new PluginSettings(
new BooleanPluginSetting("Enable report data", true),
new StringPluginSetting("Put some nice string here", ""),
new NumberPluginSetting("Custom atom count", 4));
public ResultSet getResultSet(String structure, String pinnedStructure, PluginSettings settings, Map<String, Object> context) {
logger.debug("We just received some data!");
try {
Molecule mol = MolImporter.importMol(structure);
ElementalAnalyser elementalAnalyser = new ElementalAnalyser();
elementalAnalyser.setMolecule(mol);
double exactMass = elementalAnalyser.exactMass();
double mass = elementalAnalyser.mass();
int massPrecision = elementalAnalyser.massPrecision();
int atomCount1 = elementalAnalyser.atomCount(8); // oxygen atom count
int atomCount2 = elementalAnalyser.atomCount(8, 0); // non-isotope oxygen count
int atomCount3 = elementalAnalyser.atomCount(8, 16); // oxygen isotope count with massno=16
String formula = elementalAnalyser.formula();
String isotopeFormula = elementalAnalyser.isotopeFormula();
String composition = elementalAnalyser.composition(2); // precision=2
String isotopeComposition = elementalAnalyser.isotopeComposition(2); // precision=2
// now use the results...
ClientData clientData = new ClientData();
clientData.setAtomCount1(atomCount1);
clientData.setAtomCount2(atomCount2);
clientData.setAtomCount3(atomCount3);
clientData.setFormula(formula);
clientData.setIsotopeFormula(isotopeFormula);
clientData.setComposition(composition);
clientData.setIsotopeComposition(isotopeComposition);
// using settings
int customAtomCountSetting = settings.getAtomCount().getValue().intValue();
clientData.setCustomAtomCount(elementalAnalyser.atomCount(customAtomCountSetting));
clientData.setSettingOfCustomAtomCount(customAtomCountSetting);
if (settings.getReportEnabled().getValue()) {
Map<String, Object> reportData = new HashMap<>();
reportData.put("Oxygen atom count", atomCount1);
reportData.put("Non-isotope oxygen count", atomCount2);
reportData.put("Some boolean data", true);
reportData.put("Some string data", "Report data!");
return ResultSet.of(clientData, reportData);
}
// Return null in the case this plugin should not provide any report data
return ResultSet.of(clientData, null);
} catch (Exception e) {
logger.error("There was an error processing this calculation structure: {}", structure);
logger.error(e.getMessage());
return ResultSet.EMPTY;
}
}
@Override
public PluginSettings getSettings() {
return myDefaultSettings;
}
@Override
public String getLabel() {
return "Example plugin label";
}
@Override
public String getName() {
return "example-java-plugin-name";
}
@Override
public String getTemplate() {
// For more details see docs: https://docs.chemaxon.com/display/docs/design-hub-developer-guide-real-time-plugin-templates.md
return "<div>\n" +
" <p>Oxygen atom count: {{client.atomCount1}}</p>\n" +
" <p>Non-isotope oxygen count: {{client.atomCount2}}</p>\n" +
" <p>Oxygen isotope count with massno=16: {{client.atomCount3}}</p>\n" +
" <p>Custom set ({{client.settingOfCustomAtomCount}}) atom count: {{client.customAtomCount}}</p>\n" +
" <p>Formula: {{client.formula}}</p>\n" +
" <p>Isotope formula: {{client.isotopeFormula}}</p>\n" +
" <p>Composition: {{client.composition}}</p>\n" +
" <p>Isotope composition: {{client.isotopeComposition}}</p>\n" +
"</div>";
}
@Override
public boolean hasReport() {
return true;
}
}
gradlew bootJar
java -jar build\libs\example-implementation-1-1.0-SNAPSHOT.jar
or run plugin using Gradle task gradlew runPlugin
Run JUnit tests using gradlew test
To test your plugin feel free to get insired by these curl commands:
GET
curl --location --request GET 'http://localhost:9990/'
POST /update
curl --location --request POST 'http://localhost:9990/update' \
--header 'Content-Type: application/json' \
--data-raw '{
"structure" : "CN1C=NC2=C1C(=O)N(C(=O)N2C)C",
"pinnedStructure" : "",
"context" : {},
"settings": {
"Enable report data": true,
"Put some nice string here": "ChemAxon is cool",
"Custom atom count" : 10
}
}
'
To add this plugin to Design Hub to add this line to config.json. Replace localhost:port with the actual address the plugin is listening on.
"remoteServices": ["http://localhost:9990"]
For testing performance a simple JMeter test plan has been created. Performance test is designed to simulate real user load (calling POST /update) based on this rule:
Start 100 threads (simulating 100 simultaneously working users) doing:
while (true) {
Fetch new test data from smiles.csv
Perform /update POST call
Pacing time 2 seconds
Repeat
}
Performance test script simulates logic of how Design Hub works with realtime plugins. This is archived by following these rules:
- if previous request has not been finished do not send a new one
- if previous request had shorter response time than 2 seconds wait until 2 seconds passed since start of previous request and send a new one
These rules will create constant throughout of 50 request per second on /update endpoint for 100 of users. To change this, change number of running threads.
Data from ChEMBL database has been exported (10000 rows) in smiles.csv.