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Add serialization check

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This commit is contained in:
Brian Kelley
2015-09-04 09:11:19 +02:00
parent 84c8e7df32
commit 8ccb583dc0
2 changed files with 8 additions and 7 deletions
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6
Code/JavaWrappers/FilterCatalog.i
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@@ -75,10 +75,14 @@
// dangerous, this can be delete from underneath you
return self->getFirstMatch(mol).get();
}
bool canSerialize() const {
return RDKit::FilterCatalogCanSerialize();
}
}
%ignore RDKit::FilterCatalog::getFirstMatch;
%ignore RDKit::FilterCatalogEntry::getPropList;
//%ignore RDKit::FilterCatalogEntry::getPropList;
%ignore RDKit::Dict::getPropList;
%include <GraphMol/FilterCatalog/FilterMatcherBase.h>

9
Code/JavaWrappers/gmwrapper/src-test/org/RDKit/FilterCatalogTests.java
View File

@@ -58,7 +58,7 @@ public class FilterCatalogTests extends GraphMolTest {
mol = RWMol.MolFromSmiles("O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1c(O)ccc2c1cccc2");
FilterCatalogEntry entry = catalog.getFirstMatch(mol);
//Str_Vect props = entry.getPropList();
Str_Vect props = entry.getPropList();
//for (int i=0; i< props.size(); ++i) {
String ref = entry.getProp("Reference");
@@ -73,14 +73,11 @@ public class FilterCatalogTests extends GraphMolTest {
assertEquals(source, "PAINS filters (family A)");
assertEquals(entry.getDescription(),"hzone_phenol_A(479)");
/*
if (catalog.CanSerialize()) {
if (catalog.canSerialize()) {
String pickle = catalog.Serialize();
FilterCatalog catalog2 = FilterCatalog.FilterCatalog(pickle);
FilterCatalog catalog2 = new FilterCatalog(pickle);
assertEquals(16, catalog2.getNumEntries());
}
*/
}
public static void main(String args[]) {