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Merge pull request #266 from mcneilco/brianbolt/issue265
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Brianbolt/issue265
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brianbolt authored Feb 2, 2022
2 parents b320075 + 5e0db01 commit 97a9743
Showing 1 changed file with 5 additions and 3 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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 {
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