Remove magic number support for Func1 in clib

[ischoegl]

Changes proposed in this pull request

• Remove instantiation of Func1 via magic number from clib (no longer needed after removal of legacy MATLAB toolbox in Remove legacy MATLAB toolbox #1670)
• Fix implementation of Poly1 (implementation did not match docstring; now, order matches NumPy and MATLAB); use transitional names Poly13 and polynomial3 to make changes tractable
• Fix non-functional func_write in clib
• Skip some deprecation cycles where transitional names were only relevant to legacy MATLAB toolbox
• Implement checkFunc1 to check for existence of functors
• Remove unnecessary raw pointers from Func1 code

Experimental MATLAB toolbox:

• Switch to new Func1 code base
• Use C++ implementation of string output (instead of redundant MATLAB code)
• Eliminate trivial helper functions
• Avoid hard-coding of functor names - use logic based on argument types instead
• Rename Func to Func1 in order to be consistent with C++ and Python API's

Python API:

• Improved exception handling for Func1.cxx_functor

If applicable, fill in the issue number this pull request is fixing

Closes #567

Examples

In the experimental MATLAB toolbox:

>> a = Func1('polynomial3', [1 -1 0 2.3 0 0])
 
a = 
 
   x^5 - x^4 + 2.3x^2
 
>> [a(1.5), polyval([1 -1 0 2.3 0 0], 1.5)]

ans =

    7.7062    7.7062

>> b = Func1('pow', .5) + 3 * Func1('sin')
 
b = 
 
   \sqrt{x} + 3 \sin(x)

>> [b(3), sqrt(3) + 3*sin(3)]

ans =

    2.1554    2.1554

>> c = (Func1('pow', .5) + 3) * Func1('sin')
 
c = 
 
   \left(\sqrt{x} + 3\right) \sin(x)

>> [c(3), (sqrt(3) + 3)*sin(3)]

ans =

    0.6678    0.6678

>> Func1('spam')
Error using Func1
Functor 'spam' is not implemented

In Python:

In [1]: import cantera as ct
   ...: import numpy as np

In [2]: fcn = ct.Func1.cxx_functor('polynomial3', [1, -1, 0, 2.3, 0, 0])

In [3]: fcn(1.5), np.polyval([1, -1, 0, 2.3, 0, 0], 1.5)
Out[3]: (7.706249999999999, 7.706249999999999)

In [4]: fcn.write('x')
Out[4]: 'x^5 - x^4 + 2.3x^2'

In [5]: ct.Func1.cxx_functor('spam', 1, 3)
---------------------------------------------------------------------------
NotImplementedError                       Traceback (most recent call last)
Cell In[5], line 1
----> 1 ct.Func1.cxx_functor('spam', 1, 3)

File /Volumes/Data/work/GitHub/cantera/build/python/cantera/func1.pyx:128, in cantera.func1.Func1.cxx_functor()
    126 cdef vector[double] arr
    127 if CxxHasFunc1(cxx_string) == 0:
--> 128     raise NotImplementedError(f"Functor '{functor_type}' is not implemented.")
    129 if len(args) == 0 and CxxHasFunc1(cxx_string) == 1:
    130     # simple functor with no parameter

NotImplementedError: Functor 'spam' is not implemented.

Checklist

• The pull request includes a clear description of this code change
• Commit messages have short titles and reference relevant issues
• Build passes (scons build & scons test) and unit tests address code coverage
• Style & formatting of contributed code follows contributing guidelines
• The pull request is ready for review

[codecov]

Codecov Report

Attention: Patch coverage is 92.04545% with 7 lines in your changes missing coverage. Please review.

Project coverage is 73.13%. Comparing base (5893f3f) to head (4e761a7).

Files	Patch %	Lines
src/numerics/Func1.cpp	88.23%	2 Missing and 2 partials ⚠️
src/clib/ctfunc.cpp	50.00%	2 Missing ⚠️
interfaces/cython/cantera/func1.pyx	96.55%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1741      +/-   ##
==========================================
+ Coverage   73.04%   73.13%   +0.09%     
==========================================
  Files         381      381              
  Lines       54164    54134      -30     
  Branches     9240     9222      -18     
==========================================
+ Hits        39562    39590      +28     
+ Misses      11633    11587      -46     
+ Partials     2969     2957      -12     

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[ischoegl]

Ok. I think this is finally ready for a review.

[bryanwweber]

Thanks @ischoegl! I don't know enough to say whether this is good, so I just had 2 small comments.

[speth]

Thanks, @ischoegl, I think this is some worthwhile cleanup, especially for the Matlab side of things. My one significant concern is with how we need to handle reversing the coefficient ordering for Poly1.

[ischoegl]

@speth ... thanks for the review: I addressed all points.

Beyond, I realized that there were still some unnecessary raw pointers left in the Func1 interface, which I decided to remove as well (I believe those go back to a version when Cabinets weren't set up for shared pointers, which has since changed). I decided for direct removal of associated constructors for "compounding" and "modifying" functors as they are rather obscure and unlikely to be used in user code.

[ischoegl]

Thanks, @speth. The new CI failures are fixed in #1746, specifically 0d1d05d, so I am merging regardless.