Change fingerprint and substructure/match endpoints to use new Bchem …

…inputs Fixes #265
mcneilco · Jan 31, 2022 · 5e0db01 · 5e0db01
1 parent b320075
commit 5e0db01
Showing 1 changed file with 5 additions and 3 deletions.
diff --git a/src/main/java/com/labsynch/labseer/chemclasses/bbchem/BBChemStructureServiceImpl.java b/src/main/java/com/labsynch/labseer/chemclasses/bbchem/BBChemStructureServiceImpl.java
@@ -97,7 +97,8 @@ private HashMap<String, BitSet> molsToFingerprints(HashMap<String, String> struc
 			for (String structure : structureGroupList) {
 				arrayNode.add(structure);
 			}
-			requestData.put("sdfs", arrayNode);
+			requestData.put("input", arrayNode);
+			requestData.put("input_type", "sdf");
 			requestData.put("fingerprint_type", type);
 
 			// Post to the service and parse the response
@@ -727,8 +728,9 @@ public HashMap<? extends AbstractBBChemStructure, Boolean> substructureMatch(Str
 		for(AbstractBBChemStructure needsMatch : needsMatchStructures) {
 			arrayNode.add(needsMatch.getMol());
 		}
-		requestData.put("needs_match_molv3s", arrayNode);
-		requestData.put("query_molv3", queryMol);
+		requestData.put("needs_match", arrayNode);
+		requestData.put("query", queryMol);
+		requestData.put("input_type", "sdf");
 		requestData.put("boolean_results", true);
 		// Post to the service and parse the response
 		try {