[ALPS-users] Convenience Script collectXY

[Michele Dolfi]

Well, the fix then will break other codes that don’t have error and mean.

The proper one is pyalps.mean(x).
I will try to push the change tomorrow.


Best,
Michele


> On 29 Mar 2017, at 08:52, Dominik Schildknecht <dominik.schildknecht at psi.ch> wrote:
> 
> 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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