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Move the hash resources files to the same package as the test that ne…

…eds them.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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1 parent 43e6ee3 commit 3e0b405a2908583bf049de2d8356a1efee49b781 @johnmay johnmay committed with egonw Feb 18, 2014
Showing with 39 additions and 39 deletions.
  1. +39 −39 tool/hash/src/test/java/org/openscience/cdk/hash/HashCodeScenariosTest.java
  2. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/allene-explicit-3d-h.sdf
  3. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/allene-explicit-h.sdf
  4. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/allene-implicit-h.sdf
  5. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/allene-unspecified.sdf
  6. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/aminotetracosanones.sdf
  7. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/butan-2-ols-explicit-hydrogens.sdf
  8. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/butan-2-ols.sdf
  9. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/cumulenes.sdf
  10. 0 .../hash/src/test/resources/{data → org/openscience/cdk}/hash/dichloroethenes-explicit-hydrogens.sdf
  11. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/dichloroethenes.sdf
  12. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-10.sdf
  13. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-11.sdf
  14. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-12.sdf
  15. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-13a.sdf
  16. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-13b.sdf
  17. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-14.sdf
  18. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-15.sdf
  19. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-16a.sdf
  20. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-16b.sdf
  21. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-2a.sdf
  22. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-2b.sdf
  23. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-2c.sdf
  24. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-3.sdf
  25. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/ihlenfeldt93-figure-7.sdf
  26. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/inositols-explicit-hydrogens.sdf
  27. 0 tool/hash/src/test/resources/{data → org/openscience/cdk}/hash/inositols.sdf
@@ -74,7 +74,7 @@
*/
@Test public void figure2a() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-2a.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-2a.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -96,7 +96,7 @@
*/
@Test public void figure2b() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-2b.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-2b.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -117,7 +117,7 @@
* codes should be different.
*/
@Test public void figure2c() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-2c.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-2c.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -140,7 +140,7 @@
*/
@Test public void figure3() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-3.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-3.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -163,7 +163,7 @@
*/
@Test public void figure7() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-7.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-7.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -185,7 +185,7 @@
* hash code identifies that the two molecules are the same.
*/
@Test public void figure10() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-10.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-10.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -209,7 +209,7 @@
*/
@Test public void figure11() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-11.sdf", 1);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-11.sdf", 1);
IAtomContainer molecule = mols.get(0);
@@ -235,7 +235,7 @@
* configuration and (S)- configuration values are invariant
*/
@Test public void figure12() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-12.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-12.sdf", 2);
MoleculeHashGenerator stereo = new HashGeneratorMaker().elemental()
.depth(1)
@@ -271,7 +271,7 @@
*/
@Test public void figure13a() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-13a.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-13a.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -294,7 +294,7 @@
* codes.
*/
@Test public void figure13b() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-13b.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-13b.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -316,7 +316,7 @@
*/
@Test public void figure14() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-14.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-14.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -339,7 +339,7 @@
*/
@Test public void figure15() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-15.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-15.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -372,7 +372,7 @@
*/
@Test public void figure16a() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-16a.sdf", 2);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-16a.sdf", 2);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -425,7 +425,7 @@
*/
@Test public void figure16b() {
- List<IAtomContainer> mols = sdf("/data/hash/ihlenfeldt93-figure-16b.sdf", 4);
+ List<IAtomContainer> mols = sdf("ihlenfeldt93-figure-16b.sdf", 4);
IAtomContainer a = mols.get(0);
IAtomContainer b = mols.get(1);
@@ -461,7 +461,7 @@
*/
@Test public void aminotetracosanone() {
- List<IAtomContainer> aminotetracosanones = sdf("/data/hash/aminotetracosanones.sdf", 2);
+ List<IAtomContainer> aminotetracosanones = sdf("aminotetracosanones.sdf", 2);
IAtomContainer a = aminotetracosanones.get(0);
IAtomContainer b = aminotetracosanones.get(1);
@@ -493,7 +493,7 @@
*/
@Test public void inositols() {
- List<IAtomContainer> inositols = sdf("/data/hash/inositols.sdf", 9);
+ List<IAtomContainer> inositols = sdf("inositols.sdf", 9);
// non-stereo non-perturbed hash generator
MoleculeHashGenerator basic = new HashGeneratorMaker().elemental()
@@ -545,7 +545,7 @@
@Test public void allenesWithImplicitHydrogens() {
- List<IAtomContainer> allenes = sdf("/data/hash/allene-implicit-h.sdf", 2);
+ List<IAtomContainer> allenes = sdf("allene-implicit-h.sdf", 2);
IAtomContainer mAllene = allenes.get(0);
IAtomContainer pAllene = allenes.get(1);
@@ -586,7 +586,7 @@
@Test public void allenesWithExplicitHydrogens() {
- List<IAtomContainer> allenes = sdf("/data/hash/allene-explicit-h.sdf", 2);
+ List<IAtomContainer> allenes = sdf("allene-explicit-h.sdf", 2);
IAtomContainer mAllene = allenes.get(0);
IAtomContainer pAllene = allenes.get(1);
@@ -627,8 +627,8 @@
@Test public void allenes2Dand3D() {
- List<IAtomContainer> allenes2D = sdf("/data/hash/allene-explicit-h.sdf", 2);
- List<IAtomContainer> allenes3D = sdf("/data/hash/allene-explicit-3d-h.sdf", 2);
+ List<IAtomContainer> allenes2D = sdf("allene-explicit-h.sdf", 2);
+ List<IAtomContainer> allenes3D = sdf("allene-explicit-3d-h.sdf", 2);
IAtomContainer mAllene2D = allenes2D.get(0);
IAtomContainer mAllene3D = allenes3D.get(0);
@@ -665,8 +665,8 @@
}
@Test public void allenesWithUnspecifiedConfiguration() {
- List<IAtomContainer> allenes = sdf("/data/hash/allene-implicit-h.sdf", 2);
- List<IAtomContainer> unspecified = sdf("/data/hash/allene-unspecified.sdf", 2);
+ List<IAtomContainer> allenes = sdf("allene-implicit-h.sdf", 2);
+ List<IAtomContainer> unspecified = sdf("allene-unspecified.sdf", 2);
IAtomContainer mAllene = allenes.get(0);
IAtomContainer pAllene = allenes.get(1);
@@ -702,7 +702,7 @@
@Test public void cumulenes() {
- List<IAtomContainer> cumulenes = sdf("/data/hash/cumulenes.sdf", 2);
+ List<IAtomContainer> cumulenes = sdf("cumulenes.sdf", 2);
IAtomContainer eCumulene = cumulenes.get(0);
IAtomContainer zCumulene = cumulenes.get(1);
@@ -725,8 +725,8 @@
@Test public void suppressedHydrogens() {
- List<IAtomContainer> implicits = sdf("/data/hash/butan-2-ols.sdf", 2);
- List<IAtomContainer> explicits = sdf("/data/hash/butan-2-ols-explicit-hydrogens.sdf", 2);
+ List<IAtomContainer> implicits = sdf("butan-2-ols.sdf", 2);
+ List<IAtomContainer> explicits = sdf("butan-2-ols-explicit-hydrogens.sdf", 2);
IAtomContainer implicit = implicits.get(0);
IAtomContainer explicit = explicits.get(0);
@@ -750,8 +750,8 @@
@Test public void suppressedHydrogens_chiral() {
- List<IAtomContainer> implicits = sdf("/data/hash/butan-2-ols.sdf", 2);
- List<IAtomContainer> explicits = sdf("/data/hash/butan-2-ols-explicit-hydrogens.sdf", 2);
+ List<IAtomContainer> implicits = sdf("butan-2-ols.sdf", 2);
+ List<IAtomContainer> explicits = sdf("butan-2-ols-explicit-hydrogens.sdf", 2);
IAtomContainer implicit = implicits.get(0);
IAtomContainer explicit = explicits.get(0);
@@ -789,8 +789,8 @@
@Test public void inositols_suppressedHydrogens() {
- List<IAtomContainer> implicits = sdf("/data/hash/inositols.sdf", 9);
- List<IAtomContainer> explicits = sdf("/data/hash/inositols-explicit-hydrogens.sdf", 9);
+ List<IAtomContainer> implicits = sdf("inositols.sdf", 9);
+ List<IAtomContainer> explicits = sdf("inositols-explicit-hydrogens.sdf", 9);
assertThat("different number of implicit and explicit structures",
implicits.size(), is(explicits.size()));
@@ -826,8 +826,8 @@
@Test public void inositols_suppressedHydrogens_chiral() {
- List<IAtomContainer> implicits = sdf("/data/hash/inositols.sdf", 9);
- List<IAtomContainer> explicits = sdf("/data/hash/inositols-explicit-hydrogens.sdf", 9);
+ List<IAtomContainer> implicits = sdf("inositols.sdf", 9);
+ List<IAtomContainer> explicits = sdf("inositols-explicit-hydrogens.sdf", 9);
assertThat("different number of implicit and explicit structures",
implicits.size(), is(explicits.size()));
@@ -868,8 +868,8 @@
@Test public void suppressedHydrogens_dicholorethenes() {
- List<IAtomContainer> implicits = sdf("/data/hash/dichloroethenes.sdf", 2);
- List<IAtomContainer> explicits = sdf("/data/hash/dichloroethenes-explicit-hydrogens.sdf", 2);
+ List<IAtomContainer> implicits = sdf("dichloroethenes.sdf", 2);
+ List<IAtomContainer> explicits = sdf("dichloroethenes-explicit-hydrogens.sdf", 2);
assertThat("different number of implicit and explicit structures",
implicits.size(), is(explicits.size()));
@@ -910,8 +910,8 @@
@Test public void suppressedHydrogens_allenes() {
- List<IAtomContainer> implicits = sdf("/data/hash/allene-implicit-h.sdf", 2);
- List<IAtomContainer> explicits = sdf("/data/hash/allene-explicit-h.sdf", 2);
+ List<IAtomContainer> implicits = sdf("allene-implicit-h.sdf", 2);
+ List<IAtomContainer> explicits = sdf("allene-explicit-h.sdf", 2);
assertThat("different number of implicit and explicit structures",
implicits.size(), is(explicits.size()));
@@ -1003,7 +1003,7 @@
assertThat(sConfiguration, is(not(achiral)));
// load the ones with 2D coordinates to check we match them
- List<IAtomContainer> butan2ols = sdf("/data/hash/butan-2-ols.sdf", 2);
+ List<IAtomContainer> butan2ols = sdf("butan-2-ols.sdf", 2);
// first is 'R'
assertThat(rConfiguration, is(generator.generate(butan2ols.get(0))));
@@ -1080,7 +1080,7 @@
long zConfiguration = generator.generate(dichloroethene);
// (E) and (Z) 2D geometry
- List<IAtomContainer> dichloroethenes2D = sdf("/data/hash/dichloroethenes.sdf", 2);
+ List<IAtomContainer> dichloroethenes2D = sdf("dichloroethenes.sdf", 2);
assertThat(eConfiguration, is(generator.generate(dichloroethenes2D.get(0))));
assertThat(zConfiguration, is(generator.generate(dichloroethenes2D.get(1))));
@@ -1186,7 +1186,7 @@
zConfigurations.add(generator.generate(dichloroethene));
// (E) and (Z) using 2D geometry (explicit hydrogens)
- List<IAtomContainer> dichloroethenes2D = sdf("/data/hash/dichloroethenes-explicit-hydrogens.sdf", 2);
+ List<IAtomContainer> dichloroethenes2D = sdf("dichloroethenes-explicit-hydrogens.sdf", 2);
assertThat(eConfigurations.size(),
@@ -1301,7 +1301,7 @@
zConfigurations.add(generator.generate(dichloroethene));
// (E) and (Z) using 2D geometry (implicit hydrogens)
- List<IAtomContainer> dichloroethenes2D = sdf("/data/hash/dichloroethenes.sdf", 2);
+ List<IAtomContainer> dichloroethenes2D = sdf("dichloroethenes.sdf", 2);
assertThat(eConfigurations.size(),

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