Hi James,
The new version of the test code is targeting the 1.2 avalon toolkit
version.
Here's the commit that did that.
https://github.com/rdkit/rdkit/commit/42dab414ee6fbe5489078e5e52046608bbf785cb
As an FYI, to make these tests pass on windows, you need to edit the code
to fix a bug:
you need to comment out line 1446 of reaccsio.c:
//MyFree((char *)tempdir);
-greg
On Wed, Dec 10, 2014 at 1:44 PM, James Davidson <j.david...@vernalis.com>
wrote:
> Hi Greg,
>
>
>
> I wondered if you (or anyone else) have been seeing any issues with win64
> build of the RDKit – with Avalon toolkit support – recently?
>
> Yesterday I updated my local SVN copy of RDKit (to rev4274) and rebuilt.
> Everything seemed to go ok, but the testAvalonLib1 test is now failing (the
> pyAvalonTools test passes) – see below.
>
> I can see that test1.cpp has changed recently, but my AvalonTools source
> hasn’t… Has a problem been introduced into the test?
>
>
>
> Kind regards
>
>
>
> James
>
>
>
>
>
> C:\RDKit\build>ctest -R testAvalon -V
>
> UpdateCTestConfiguration from :C:/RDKit/build/DartConfiguration.tcl
>
> UpdateCTestConfiguration from :C:/RDKit/build/DartConfiguration.tcl
>
> Test project C:/RDKit/build
>
> Constructing a list of tests
>
> Done constructing a list of tests
>
> Checking test dependency graph...
>
> Checking test dependency graph end
>
> test 2
>
> Start 2: testAvalonLib1
>
>
>
> 2: Test command:
> C:\RDKit\build\External\AvalonTools\Release\testAvalonLib1.exe
>
> 2: Test timeout computed to be: 9.99988e+006
>
> 2: [12:31:18] testing canonical smiles generation
>
> 2: [12:31:18] done
>
> 2: [12:31:18] testing coordinate generation
>
> 2: [12:31:18] done
>
> 2: [12:31:18] testing fingerprint generation
>
> 2: [12:31:18] c1ccccn1 18
>
> 2: returning
>
> 2: [12:31:18] c1ccccn1 6
>
> 2: [12:31:18] c1nnccc1 28
>
> 2: [12:31:18] c1ncncc1 25
>
> 2: [12:31:18] c1cccnc1 18
>
> 2: [12:31:18] c1ccccc1 6
>
> 2: [12:31:18] c1cccnc1 19
>
> 2: [12:31:18] c1cocc1 48
>
> 2: [12:31:18]
>
> 2:
>
> 2: ****
>
> 2: Test Assert
>
> 2: Expression Failed:
>
> 2: Violation occurred on line 146 in file
> ..\..\..\External\AvalonTools\test1.cpp
>
> 2: Failed Expression: bv.getNumOnBits()==53
>
> 2: ****
>
> 2:
>
> 1/1 Test #2: testAvalonLib1 ...................***Failed 2.87 sec
>
>
>
> 0% tests passed, 1 tests failed out of 1
>
>
>
> Total Test time (real) = 2.98 sec
>
>
>
> The following tests FAILED:
>
> 2 - testAvalonLib1 (Failed)
>
> Errors while running CTest
>
>
>
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