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Re: [IMP-dev] change of optimizer performance from v7018 to v9277



no need to continue this thread too much.
its on me and i will solve it.
keren.
On May 18, 2011, at 11:01 AM, Ben Webb wrote:

> On 05/18/2011 10:39 AM, Daniel Russel wrote:
>> On May 18, 2011, at 9:05 AM, Friedrich Foerster wrote:
>>> I remember painfully writing a test case for the em restraint and
>>> the derivatives when I implemented the em score. Is that test not
>>> functional anymore?
>> They are still there, but I'm not sure if they pass. It also isn't
>> clear to me what exactly they test as they use some modeller
>> functionality that I am not familiar with to do the actual checking.
> 
> They use Modeller functionality that essentially does the same thing as 
> IMP.test.TestCase.assertXYZDerivativesInTolerance() - i.e. it calculates 
> the xyz derivatives numerically (basically by moving each atom a small 
> amount along each axis and recalculating the score) and compares with 
> the analytical values. In principle we could rework this test to no 
> longer require Modeller. But I'd prefer to wait until it actually works 
> before we do that. ;)
> 
>> and for some reason the windows test run didn't terminate
> 
> The tests didn't complete because the IMP.rmf tests took several hours 
> to run, leaving no time for the rest of the tests. Unit tests shouldn't 
> take hours to run...
> 
> (The reason this only just started happening is that we didn't build 
> IMP.rmf on Windows until yesterday, when I built the necessary HDF5 and 
> Boost DLL dependencies.)
> 
>> And the em tests have been failing in general
>> for rather a while, and it is not something I've looked in to.
> 
> Just like Keren said, she broke the derivatives. That happened around 
> October last year. Every now and again I mention it to Keren again and 
> she says "yes, I will look at it". ;)
> 
> 	Ben
> -- 
>                       http://salilab.org/~ben/
> "It is a capital mistake to theorize before one has data."
> 	- Sir Arthur Conan Doyle
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