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Inlined test molecule creation from MoleculeFactory.java. #53
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@@ -92,14 +139,14 @@ public void testFindHeavyAtomsInChain_IAtomContainer_IAtomContainer() throws Exc | |||
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@Test | |||
public void testNumberOfUnplacedHeavyAtoms_IAtomContainer(){ | |||
IAtomContainer ac = MoleculeFactory.makeAlphaPinene(); | |||
IAtomContainer ac = AtomPlacer3DTest.makeAlphaPinene(); |
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I would tend to leave off the static class definition such that this would read IAtomContainer ac = makeAlphaPinene();
. Thoughts?
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Sounds like a fine idea,
Mark
From: John May
Sent: Monday, September 01, 2014 6:24 PM
To: cdk/cdk
Cc: mbv31602
Subject: Re: [cdk] Inlined test molecule creation from MoleculeFactory.java. (#53)
In tool/builder3d/src/test/java/org/openscience/cdk/modeling/builder3d/AtomPlacer3DTest.java:
@@ -92,14 +139,14 @@ public void testFindHeavyAtomsInChain_IAtomContainer_IAtomContainer() throws Exc
@test
public void testNumberOfUnplacedHeavyAtoms_IAtomContainer(){
IAtomContainer ac = MoleculeFactory.makeAlphaPinene();
I would tend to leave off the static class definition such that this would read IAtomContainer ac = makeAlphaPinene();. Thoughts?IAtomContainer ac = AtomPlacer3DTest.makeAlphaPinene();
—
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Hi John,
Wasn't certain, do you want me to make the changes, or have you started on them yourself?
Mark
From: John May
Sent: Monday, September 01, 2014 6:24 PM
To: cdk/cdk
Cc: mbv31602
Subject: Re: [cdk] Inlined test molecule creation from MoleculeFactory.java. (#53)
In tool/builder3d/src/test/java/org/openscience/cdk/modeling/builder3d/AtomPlacer3DTest.java:
@@ -92,14 +139,14 @@ public void testFindHeavyAtomsInChain_IAtomContainer_IAtomContainer() throws Exc
@test
public void testNumberOfUnplacedHeavyAtoms_IAtomContainer(){
IAtomContainer ac = MoleculeFactory.makeAlphaPinene();
I would tend to leave off the static class definition such that this would read IAtomContainer ac = makeAlphaPinene();. Thoughts?IAtomContainer ac = AtomPlacer3DTest.makeAlphaPinene();
—
Reply to this email directly or view it on GitHub.
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Could you make the change please. Just add another commit to the same branch and push it. It is then appended to the pull request.
Thanks
J
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OK, changes made and pushed. Tidied up the imports a little.
Mark
From: John May
Sent: Monday, September 01, 2014 7:05 PM
To: cdk/cdk
Cc: mbv31602
Subject: Re: [cdk] Inlined test molecule creation from MoleculeFactory.java. (#53)
In tool/builder3d/src/test/java/org/openscience/cdk/modeling/builder3d/AtomPlacer3DTest.java:
@@ -92,14 +139,14 @@ public void testFindHeavyAtomsInChain_IAtomContainer_IAtomContainer() throws Exc
@test
public void testNumberOfUnplacedHeavyAtoms_IAtomContainer(){
IAtomContainer ac = MoleculeFactory.makeAlphaPinene();
Could you make the change please. Just add another commit to the same branch and push it. It is then appended to the pull request. Thanks JIAtomContainer ac = AtomPlacer3DTest.makeAlphaPinene();
—
Reply to this email directly or view it on GitHub.
Looks good, thanks for the update commit. Applied and pushed. |
Inlined test molecule creation prior to adding more tests for a bug, as recommended in a recent discussion with JWM.