From 5e0db0140fe4ee56723fc7a3032edb296486f589 Mon Sep 17 00:00:00 2001
From: Brian Bolt <brian.bolt@schrodinger.com>
Date: Mon, 31 Jan 2022 09:47:19 -0800
Subject: [PATCH] Change fingerprint and substructure/match endpoints to use
 new Bchem inputs Fixes #265

---
 .../chemclasses/bbchem/BBChemStructureServiceImpl.java    | 8 +++++---
 1 file changed, 5 insertions(+), 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
index 0ab5a9da7..67c81829a 100644
--- 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 {