On 04/14/2017 01:11 PM, Alan Gauld via Tutor wrote:
On 14/04/17 13:41, Stephen P. Molnar wrote:
The equation that I a want to evaluate (the one that I programmed in
FORTRAN) is equation (7) in the attached scan of one of the pages of
Stephen P. Molnar and James W. King, Theory and Applications of the
Integrated Molecular Transform and the Normalized Molecular Moment
Structure Descriptors: QSAR and QSPR Paradigms, Int. J Quantum Chem.,
85, 662 (2001).
The problem is that you are asking quite technical questions on a
list aimed at beginners to both programming and the Python language. I'd
estimate that only about 10-20% of the readership have
a math/science background of the depth required for your issues.
And a similar few will be familiar with numpy which is not part
of the standard library (although to confuse things there are
Python distros like Anaconda that do include the SciPy stuff,
but the standard library as described on python.org does not.)
As has already been suggested you would get a much higher hit
rate by asking on the SciPy/Numpy support fora:
https://scipy.org/scipylib/mailing-lists.html
On those lists more like 90% of the readers will be in a position
to understand your issues and they will be experienced in using
SciPy and numpy. There is a very good chance that someone there
will understand what the problem is and have already solved it.
We are very happy to answer questions about the core language
and libraries but detailed Numpy stuff really is beyond the
scope of this list.
I appreciate the suggestion of the SciPy Mailing List.
--
Stephen P. Molnar, Ph.D. Life is a fuzzy set
www.molecular-modeling.net Stochastic and multivariate
(614)312-7528 (c)
Skype: smolnar1
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