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johnmayegonw
johnmay
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egonw
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Eliminate testdata dependency from cdk-ctab.
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163 files changed

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‎base/test-core/src/test/java/org/openscience/cdk/graph/PathToolsTest.java

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@@ -120,8 +120,8 @@ public void testGetShortestPath_IAtomContainer_IAtom_IAtom() throws Exception {
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@Test
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public void testGetShortestPath_Middle() throws Exception {
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String filename = "data/mdl/shortest_path_test.mol";
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InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
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String filename = "shortest_path_test.mol";
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InputStream ins = this.getClass().getResourceAsStream(filename);
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MDLV2000Reader reader = new MDLV2000Reader(ins);
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IAtomContainer testMolecule = new AtomContainer();
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reader.read(testMolecule);

‎base/test-core/src/test/resources/data/mdl/NN_dimethylaniline.mol

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CDK 4/11/06,15:26
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9 9 0 0 0 0 0 0 0 0999 V2000
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284.0000 340.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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252.8231 358.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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315.1769 358.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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252.8231 394.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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284.0000 448.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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259.0000 473.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6 5 1 0 0 0 0
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6 7 2 0 0 0 0
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7 8 1 0 0 0 0
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7 9 1 0 0 0 0
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M CHG 1 7 1
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M END

‎base/testdata/src/test/resources/data/mdl/a-pinene.mol renamed to ‎base/test-core/src/test/resources/data/mdl/a-pinene.mol

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‎base/testdata/src/test/resources/data/mdl/bug682233.mol renamed to ‎base/test-core/src/test/resources/data/mdl/bug682233.mol

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‎base/testdata/src/test/resources/data/mdl/butanoic_acid.mol renamed to ‎base/test-core/src/test/resources/data/mdl/butanoic_acid.mol

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‎base/testdata/src/test/resources/data/mdl/four-ring-5x10.mol renamed to ‎base/test-core/src/test/resources/data/mdl/four-ring-5x10.mol

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‎base/testdata/src/test/resources/data/mdl/methylbenzol.mol renamed to ‎base/test-core/src/test/resources/data/mdl/methylbenzol.mol

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‎base/test-core/src/test/resources/data/mdl/nonConnectedPiSystems.mol

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CDK
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9 8 0 0 0 0 0 0 0 0999 V2000
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86.0000 1049.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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117.0000 1066.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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148.0000 1048.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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179.0000 1065.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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210.0000 1047.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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241.0000 1064.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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272.0000 1046.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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303.0000 1063.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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334.0000 1045.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7 8 1 0 0 0 0
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M END

‎base/test-core/src/test/resources/data/mdl/piSystemCumulative.mol

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CDK
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7 6 0 0 0 0 0 0 0 0999 V2000
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76.0000 992.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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107.0000 1009.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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76.0000 956.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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143.0000 1009.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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179.0000 1009.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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204.0000 1034.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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204.0000 1070.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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1 3 2 0 0 0 0
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2 4 2 0 0 0 0
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4 5 2 0 0 0 0
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5 6 1 0 0 0 0
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6 7 2 0 0 0 0
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M END

‎base/test-core/src/test/resources/data/mdl/piSystemWithCarbokation.mol

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CDK
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9 8 0 0 0 0 0 0 0 0999 V2000
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224.0000 193.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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255.3473 210.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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286.6947 192.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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318.0420 209.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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349.3893 191.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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380.7367 208.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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412.0840 190.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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443.4313 207.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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474.7787 189.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 0 0 0 0
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2 3 1 0 0 0 0
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3 4 2 0 0 0 0
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4 5 1 0 0 0 0
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5 6 1 0 0 0 0
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6 7 2 0 0 0 0
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7 8 1 0 0 0 0
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8 9 2 0 0 0 0
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M CHG 1 5 1
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M END

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