Fixup test cases, we now need to explicitly say we're okay with contracting it all away.

johnmay · johnmay · commit 00ce73e6dae3 · 2019-09-26T10:13:09.000+01:00
diff --git a/app/depict/src/main/java/org/openscience/cdk/depict/Abbreviations.java b/app/depict/src/main/java/org/openscience/cdk/depict/Abbreviations.java
@@ -383,7 +383,7 @@ public List<Sgroup> generate(final IAtomContainer mol) {
                             combined.setType(SgroupType.CtabAbbreviation);
                             return Collections.singletonList(combined);
                         }
-                        if (sgroup1 != null && (best == null || sgroup1.getAtoms().size() < best.getAtoms().size()))
+                        if (sgroup1 != null && (best == null || sgroup1.getAtoms().size() > best.getAtoms().size()))
                             best = sgroup1;
                         if (sgroup2 != null && (best == null || sgroup2.getAtoms().size() < best.getAtoms().size()))
                             best = sgroup2;
diff --git a/app/depict/src/test/java/org/openscience/cdk/depict/AbbreviationsTest.java b/app/depict/src/test/java/org/openscience/cdk/depict/AbbreviationsTest.java
@@ -51,6 +51,7 @@ public void potassiumCarbonate() throws Exception {
         IAtomContainer mol = smi("[K+].[O-]C(=O)[O-].[K+]");
         Abbreviations factory = new Abbreviations();
         factory.add("[K+].[O-]C(=O)[O-].[K+] K2CO3");
+        factory.setContractToSingleLabel(true);
         List<Sgroup> sgroups = factory.generate(mol);
         assertThat(sgroups.size(), is(1));
         assertThat(sgroups.get(0).getSubscript(), is("K2CO3"));
@@ -302,6 +303,7 @@ public void dontOverwriteExistingSgroups() throws Exception {
     @Test public void hclSaltOfEdci() throws Exception {
         Abbreviations factory = new Abbreviations();
         factory.add("CCN=C=NCCCN(C)C EDCI");
+        factory.setContractToSingleLabel(true);
         IAtomContainer mol = smi("CCN=C=NCCCN(C)C.Cl");
         List<Sgroup> sgroups = factory.generate(mol);
         assertThat(sgroups.size(), is(1));
@@ -329,6 +331,7 @@ public void dontOverwriteExistingSgroups() throws Exception {
         Abbreviations factory = new Abbreviations();
         factory.add("ClCCl DCM");
         factory.add("Cl[Pd]Cl.[Fe+2].c1ccc(P([c-]2cccc2)c2ccccc2)cc1.c1ccc(P([c-]2cccc2)c2ccccc2)cc1 Pd(dppf)Cl2");
+        factory.setContractToSingleLabel(true);
         IAtomContainer mol = smi(smi);
         List<Sgroup> sgroups = factory.generate(mol);
         assertThat(sgroups.size(), is(1));
@@ -340,6 +343,7 @@ public void dontOverwriteExistingSgroups() throws Exception {
         Abbreviations factory = new Abbreviations();
         factory.add("Cl[Pd]Cl.[Fe+2].c1ccc(P([c-]2cccc2)c2ccccc2)cc1.c1ccc(P([c-]2cccc2)c2ccccc2)cc1 Pd(dppf)Cl2");
         factory.add("Cl[Pd]Cl PdCl2");
+        factory.setContractToSingleLabel(true);
         IAtomContainer mol = smi(smi);
         List<Sgroup> sgroups = factory.generate(mol);
         assertThat(sgroups.size(), is(1));

Original file line number	Diff line number	Diff line change
`@@ -383,7 +383,7 @@ public List<Sgroup> generate(final IAtomContainer mol) {`
`383`	`383`	`combined.setType(SgroupType.CtabAbbreviation);`
`384`	`384`	`return Collections.singletonList(combined);`
`385`	`385`	`}`
`386`		`- if (sgroup1 != null && (best == null \|\| sgroup1.getAtoms().size() < best.getAtoms().size()))`
	`386`	`+ if (sgroup1 != null && (best == null \|\| sgroup1.getAtoms().size() > best.getAtoms().size()))`
`387`	`387`	`best = sgroup1;`
`388`	`388`	`if (sgroup2 != null && (best == null \|\| sgroup2.getAtoms().size() < best.getAtoms().size()))`
`389`	`389`	`best = sgroup2;`