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We're calculating Standard InChIs now

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1 parent 8a45b61 commit e86f1a4bc452f794543866e6666dad0c48450138 @egonw egonw committed Mar 27, 2012
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6 ...i.business.test/src/net/bioclipse/inchi/business/test/AbstractInChIManagerPluginTest.java
@@ -36,7 +36,7 @@ public void testGenerate() throws Exception {
Assert.assertNotNull("Input structure is unexpectedly null", mol);
InChI inchiObj = inchi.generate(mol);
Assert.assertNotNull(inchiObj);
- Assert.assertEquals("InChI=1/CH4/h1H4", inchiObj.getValue());
+ Assert.assertEquals("InChI=1S/CH4/h1H4", inchiObj.getValue());
}
@Test
@@ -46,7 +46,7 @@ public void testGenerateNoStereo() throws Exception {
InChI inchiStr = inchi.generate(mol);
Assert.assertNotNull(inchiStr);
Assert.assertEquals(
- "InChI=1/CHBrClFO/c2-1(3,4)5/h5H",
+ "InChI=1S/CHBrClFO/c2-1(3,4)5/h5H",
inchiStr.getValue()
);
}
@@ -58,7 +58,7 @@ public void testGenerateKey() throws Exception {
InChI key = inchi.generate(mol);
Assert.assertNotNull(key);
Assert.assertEquals(
- "VNWKTOKETHGBQD-UHFFFAOYAM",
+ "VNWKTOKETHGBQD-UHFFFAOYSA-N",
key.getKey()
);
}

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