New environment variable

[rs028]

Create a new environment variable ASA (aerosol surface area). It should work in the same way as BLHEIGHT, e.g., can be NOTUSED (default), CONSTRAINED or given a fixed value, and it can be used to calculate rate coefficients. For example:

% ASA*525.068*(TEMP@0.5)*2.0D-3   :   O3   =   ;

[rs028]

@spco Apart from the tests failing, which I will fix later, is this all there is to do to add a new environment variable?

[spco]

Looks about so from searching the codebase. You'll also need to update

AtChem2/build/mech_converter.py

Line 432 in 018cf02

subroutine update_p(p, q, TEMP, N2, O2, M, RH, H2O, DEC, BLHEIGHT, DILUTE, JFAC, ROOFOPEN, J, RO2) bind(c,name='update_p')

to match new signature, and add ASA to reservedSpeciesList at

AtChem2/build/mech_converter.py

Line 37 in 018cf02

reservedSpeciesList = ['N2', 'O2', 'M', 'RH', 'H2O', 'DEC', 'BLHEIGHT', 'DILUTE', 'JFAC', 'ROOF', 'RO2']

. I can't guarantee that that's everything, but looks roughly correct.

[spco]

Looks about so from searching the codebase. You'll also need to update

AtChem2/build/mech_converter.py

Line 432 in 018cf02

subroutine update_p(p, q, TEMP, N2, O2, M, RH, H2O, DEC, BLHEIGHT, DILUTE, JFAC, ROOFOPEN, J, RO2) bind(c,name='update_p')

to match new signature, and add ASA to reservedSpeciesList at

AtChem2/build/mech_converter.py

Line 37 in 018cf02

reservedSpeciesList = ['N2', 'O2', 'M', 'RH', 'H2O', 'DEC', 'BLHEIGHT', 'DILUTE', 'JFAC', 'ROOF', 'RO2']

. I can't guarantee that that's everything, but looks roughly correct.

[codecov]

Codecov Report

Merging #432 into master will increase coverage by 0.00%.
The diff coverage is 80.00%.

@@           Coverage Diff           @@
##           master     #432   +/-   ##
=======================================
  Coverage   88.72%   88.73%           
=======================================
  Files          17       17           
  Lines        2262     2264    +2     
=======================================
+ Hits         2007     2009    +2     
  Misses        255      255           

Flag	Coverage Δ
#build	62.49% <80.00%> (+0.04%)	⬆️
#tests	87.89% <80.00%> (+0.01%)	⬆️
#unittests	35.73% <0.00%> (-0.04%)	⬇️

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files	Coverage Δ
src/inputFunctions.f90	86.31% <ø> (ø)
src/constraintFunctions.f90	81.20% <50.00%> (+0.12%)	⬆️
src/solverFunctions.f90	91.25% <100.00%> (+0.11%)	⬆️

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[rs028]

If there are no more comments I think this can be merged.