From: <eg...@us...> - 2006-10-23 13:49:18
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Revision: 7153 http://svn.sourceforge.net/cdk/?rev=7153&view=rev Author: egonw Date: 2006-10-23 06:49:13 -0700 (Mon, 23 Oct 2006) Log Message: ----------- Fixed test: added missing hydrogen counts. Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/test/atomtype/StructGenAtomTypeGuesserTest.java Modified: trunk/cdk/src/org/openscience/cdk/test/atomtype/StructGenAtomTypeGuesserTest.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/test/atomtype/StructGenAtomTypeGuesserTest.java 2006-10-23 13:32:37 UTC (rev 7152) +++ trunk/cdk/src/org/openscience/cdk/test/atomtype/StructGenAtomTypeGuesserTest.java 2006-10-23 13:49:13 UTC (rev 7153) @@ -56,10 +56,12 @@ public void testPossbibleAtomTypes_IAtomContainer_IAtom() throws ClassNotFoundException, CDKException, java.lang.Exception { Molecule mol = new Molecule(); Atom atom = new Atom("C"); + atom.setHydrogenCount(3); Atom atom2 = new Atom("N"); + atom2.setHydrogenCount(2); mol.addAtom(atom); mol.addAtom(atom2); - mol.addBond(new Bond(atom, atom2)); + mol.addBond(new Bond(atom, atom2, 1)); StructGenAtomTypeGuesser atm = new StructGenAtomTypeGuesser(); List matched = atm.possbibleAtomTypes(mol, atom); This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |