Bug#602471: RE : Bug#602471: RE : Bug#602471: pymca: package unusable

[PICCA Frédéric-Emmanuel]

hello so I am investigating

if I put print ElementL1ShellValues in the LShell.py

here the output of the last lines

from PyMca import LShell

...
 [100.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [101.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [102.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [103.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [104.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [105.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [106.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [107.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [108.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216], [109.0, 2.5339999999999998, 17.536000000000001, 0.047, 0.59299999999999997, 0.216]]

with pymca

[100.0, 2.0, 17.0, 0.0, 0.0, 0.0], [101.0, 2.0, 17.0, 0.0, 0.0, 0.0], [102.0, 2.0, 17.0, 0.0, 0.0, 0.0], [103.0, 2.0, 17.0, 0.0, 0.0, 0.0], [104.0, 2.0, 17.0, 0.0, 0.0, 0.0], [105.0, 2.0, 17.0, 0.0, 0.0, 0.0], [106.0, 2.0, 17.0, 0.0, 0.0, 0.0], [107.0, 2.0, 17.0, 0.0, 0.0, 0.0], [108.0, 2.0, 17.0, 0.0, 0.0, 0.0], [109.0, 2.0, 17.0, 0.0, 0.0, 0.0]]

as you can see it seems that from pymca the imported values are rounded to int values.

and this is not true without.

so the problem comes from this code:

sf=specfile.Specfile(os.path.join(dirname, "LShellConstants.dat"))
ElementL1ShellConstants = sf[0].alllabels()
ElementL2ShellConstants = sf[1].alllabels()
ElementL3ShellConstants = sf[2].alllabels()
ElementL1ShellValues = Numeric.transpose(sf[0].data()).tolist()


sf[0].data() gives

[ 100.    2.   17.    0.    0.    0.]
 [ 101.    2.   17.    0.    0.    0.]
 [ 102.    2.   17.    0.    0.    0.]
 [ 103.    2.   17.    0.    0.    0.]
 [ 104.    2.   17.    0.    0.    0.]
 [ 105.    2.   17.    0.    0.    0.]
 [ 106.    2.   17.    0.    0.    0.]
 [ 107.    2.   17.    0.    0.    0.]
 [ 108.    2.   17.    0.    0.    0.]
 [ 109.    2.   17.    0.    0.    0.]]

so the problem is in the specfile module.
(c module it seems)

In fact if I start the program with
LANG=C pymca it works.

probably a ',' or '.' problem during double conversion.

See you

Frederic




-------- Message d'origine--------
De: debian-science-maintainers-bounces+picca=synchrotron-soleil.fr at lists.alioth.debian.org de la part de PICCA Frédéric-Emmanuel
Date: ven. 05/11/2010 19:39
À: Teemu Ikonen
Cc: 602471 at bugs.debian.org
Objet : Bug#602471: RE : Bug#602471: pymca: package unusable
 
> The data file is ok, and importing the offending module works with the
> standard interpreter, so the bug is most likely somehow related to
> your environment. 

I reproduced this bug on two differents systems (unstable)

> Or alternatively, something in my environment
> prevents this bug from appearing.

> Unless you or someone else can provide more information, it will be
> difficult to fix this.

or maybe the modules loaded before LShell has some side effect on the
LSHell module

I will try to investigate.

See you

Frred



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