Added a test for the custom functions file, replacing KMT15

tests/.gitignore

@@ -9,6 +9,7 @@ mechanism.reac
 mechanism.ro2
 mechanism.species
 mechanism.so
+customRateFuncs.o
 tests/*/output/reactionRates/*
 model_tests/*/output/reactionRates/*
 

tests/model_tests/INFO.md

@@ -24,4 +24,6 @@ starting at 6:30 am on 9/11/2008.
 
 - `spec_model_kpp` is the same as the base case but the mechanism is in KPP format.
 
-- `spec_model_stoich` is the same as the base case but the mechanism has been adjusted to include stoichometric coefficients (e.g. 'NO + NO = NO2 + NO2' becomes '2 NO = 2 NO2')
+- `spec_model_stoich` is the same as the base case but the mechanism has been adjusted to include stoichometric coefficients (e.g. 'NO + NO = NO2 + NO2' becomes '2 NO = 2 NO2')
+
+- `spec_model_func` is the same as the base case but the KMT15 rate definition has been moved to `customRateFuncs.f90` as opposed to being defined in the mechanism.

tests/model_tests/spec_model_func/configuration/customRateFuncs.f90

@@ -0,0 +1,30 @@
+! ******************************************************************** !
+! ATCHEM2 -- MODULE customRateFunctions
+!
+! This module contains user-defined functions that can be referenced
+! in the mechanism file
+! ******************************************************************** !
+module custom_functions_mod
+ implicit none
+
+contains
+
+ ! -----------------------------------------------------------------
+ ! Calculates the rate of KMT15
+ pure function calcKMT15( t, m ) result ( KMT15 )
+ real*8, intent(in) :: t, m
+ real :: K150, K15I, KR15, FC15, NC15, F15
+ real :: KMT15
+
+ K150 = 8.6E-29 * m * (t / 300)**(-3.1)
+ K15I = 9.0E-12 * (t / 300)**(-0.85)
+ KR15 = K150 / K15I
+ FC15 = 0.48
+ NC15 = 0.75 - 1.27 * (LOG10(FC15))
+ F15 = 10**(LOG10(FC15) / (1 + (LOG10(KR15) / NC15)**2))
+ KMT15 = (K150*K15I)*F15/(K150+K15I)
+
+ return
+ end function calcKMT15
+
+end module custom_functions_mod

tests/model_tests/spec_model_func/configuration/environmentVariables.config

@@ -0,0 +1,10 @@
+1 TEMP 291.45
+2 PRESS 950.2
+3 RH 67.4
+4 H2O CALC
+5 DEC CALC
+6 BLHEIGHT NOTUSED
+7 DILUTE NOTUSED
+8 JFAC NOTUSED
+9 ROOF OPEN
+10 ASA NOTUSED

tests/model_tests/spec_model_func/configuration/initialConcentrations.config

@@ -0,0 +1,5 @@
+CO 4.8e+12
+O3 6.11e11
+NO 6.8e10
+NO2 8.37e10
+C2H4 2.76e+9

tests/model_tests/spec_model_func/configuration/mechanism.prod.cmp

@@ -0,0 +1,257 @@
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