Copyright (c) 2014-2018 Dr. Charles Le Losq
email: [email protected]
Licence: see LICENCE.md
As Rampy starts to grow, I will summarise changes in this file starting at version 0.2.6
-
Improvements in documentation of mlregressor.
-
Improvements of rampy.normalise and rampy.centroid. Those functions can treat arrays of spectra now.
-
Correction of a bug in rampy.normalize that caused the "area" method to not work when entering x.
-
Better tests
- Removing dependency to cvxpy that does not build well in Windows... It affects the use of the rampy.mixing function
- Correction of an error in
mlregressor
which made impossible to import X_test datasets.
-
BREAKING CHANGE:
mlregressor
is now a class and not a function anymore. You can provide directly sklearn arguments to the algorithms through dictionaries. The use of the class simplifies the use ofmlregressor
, as the created objects saves everything! It also makes it very easy to change the algorithm and try something else. See the example in the example folder! -
addition of the
centroid()
function, that calculates the centroid of a signal. -
addition of tests and examples for the
mlregressor()
class, theresample()
andflipsp()
functions. -
chemical_splitting()
allows one to select the random seed. -
Correction of the
mixing_sp()
function, rampy is now compatible with cvxpy v1.0. -
arguments can be provided to
resample()
to use different techniques of interpolation inscipy.interpolate.interp1d
. -
Various documentation improvements
- Correction of the
tlcorrection()
function: the 'hehlen' correction was missing a frequency term to be complete (eq. 2 and 3 in Hehlen 2010 J. Phys. Condes. Matter 22: 025401).
- Addition of the
rampy.mixing_sp()
function. Seehelp(rampy.mixing_sp())
, as well as the example folder.
-
gcvspline is not a requirement anymore. Error messages will outputs when trying to use it, inviting to install it manually. This is implemented to avoid problems with FORTRAN compilation for people not interested in using gcvspline.
-
Add early stopping in
mlregressor
neural networks.
- Minor dependency correction
- Adding the names in the
rameau
object - Improvements of the
mlregressor
function, with addition of neural nets and bagging neural nets algorithms
-
Rameau is now an object-oriented interface
-
smooth()
function updated; 10 algorithms are available. -
updated example of peak fitting
-
Documentation improvements
-
Python 3 compatible
-
Addition of the Rameau function
-
addition of gaussian baseline
-
addition of
flipsp()
to flip spectra along the axis 0 -
addition of
resample()
to resample spectra with scipy.interpolate -
improvement of
tlcorrection
- addition of the
tlcorrection()
function to replace the Long function
- Minor correction of the
baseline()
documentation and removing aprint()
command.
-
standardizatin in the
baseline()
function is now included (improve polynomial fits); -
addition of the arPLS algorithm from Baek et al. (2015) to automatic fit the baseline;
-
addition of the whittaker smoother to fit the baseline (Eiler 2003);
-
addition of the ALS algorithm (Eilers and Boelens 2005).