[ALPS-users] Convenience Script collectXY

[Dominik Schildknecht]

Dear Michele,

thanks a lot. This helped. However I think I found a bug in this
function. The sort in the end of the function is non-functional as there
is no sort in the class MCScalarData (totally understandable why). I
assume the python interpreter will work with a default for the
comparison rather than raise an error. In the case of EXMC the error of
all the x-values are 0, such that the sort function shows undefined
behavior.

To circumvent the problem I propose to change the following line in the
ResultsToXY function

    order = np.argsort(res.x, kind = 'mergesort')

To:

    order = np.argsort([x.mean for x in res.x], kind = 'mergesort')

This would fix the bug locally (to give the expected result), without
changing the rest of the code basis. Is it possible to incorporate this
change in the code basis?

Best,

Dominik


On 29.03.2017 07:45, Michele Dolfi wrote:
> There a function for this, but it is note used a lot.
>
> Here the doc string:
>
> def ResultsToXY(sets,x,y,foreach=[]):
>     """ combines observable x and y to build a list of DataSet with y vs x
>  
>     this function is used to collect data from a hierarchy of DataSet
> objects, to prepare plots or evaluation.
>     the inner-most list has to contain one DataSet with
> props['observable'] = x and one props['observable'] = y,
>     this will be the pair x-y used in the collection.
>
>     The parameters are:
>       sets:    hierarchy of datasets where the inner-most list must
> contain to pair x-y
>       x:       the name of the observable to be used as x-value of the
> collected results 
>       y:       the name of the observable to be used as y-value of the
> collected results 
>       foreach: an optional list of properties used for grouping the
> results. A separate DataSet object is created for each unique set of
> values of the specified parameers.
>
>     The function returns a list of DataSet objects.
>     """
>
>
> Best,
> Michele
>
>
>> On 28 Mar 2017, at 15:23, Dominik Schildknecht
>> <dominik.schildknecht at psi.ch <mailto:dominik.schildknecht at psi.ch>> wrote:
>>
>> Dear all,
>> I wanted to know if it's already implemented to plot two observables
>> against each other with the combination of pyalps.collectXY and
>> pyalps.plot.plot.
>> As an example I would like to be able to plot energy vs. magnetization
>> in an example like MC-07. This mainly arises as a question if I want to
>> use the exchange Monte Carlo formalism (thanks for that, it seems to
>> work great with very little modification to my code). There the
>> optimized temperature set is saved as an observable. If I still want to
>> be able to plot M vs. T I would need the ability to plot two observables
>> against each other. However it crashes in alps/lib/pyalps/tools.py in
>> the function collectXY at the line
>>    xvalue = np.array([data.props[x] for i in range(len(data.y))])
>> Is what I intend to do possible with collectXY?
>> Best,
>> Dominik
>>
>> -- 
>> Paul Scherrer Institut
>> Dominik Schildknecht
>> PhD Student
>> WHGA/129
>> CH-5232 Villigen-PSI
>> Phone: +41 56 310 55 68
>>
>>
>>
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>
>
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-- 
Paul Scherrer Institut
Dominik Schildknecht
PhD Student
WHGA/129
CH-5232 Villigen-PSI
Phone: +41 56 310 55 68

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