def pcomp(par, opar):
diffs = []
Ks = MyAMI_K_calc(param_dict=par)
oKs = MyAMI_K_calc(param_dict=opar)
for k in Ks.keys():
diffs.append(Ks[k] - oKs[k])
return all(abs(np.array(diffs)) < 1e-6)
def test_CompareToDickson2007(self):
# Check params @ 25ºC and 35 PSU
# Parameters are from Dickson, Sabine & Christian
# (Guide to best practises for ocean CO2 measurements,
# PICES Special Publication, 2007), Chapter 5.7.2 (seawater).
# Except KspC and KspA, which are from from Zeebe &
# Wolf-Gladrow, 2001, Appendix A.10
K_ckeck = {
'K0': np.exp(-3.5617),
'K1': 10**(-5.8472),
'K2': 10**(-8.9660),
'KB': np.exp(-19.7964),
# 'KW': np.exp(-30.434),
'KSO4': np.exp(-2.30),
'KspC': 10**-6.3693,
'KspA': 10**-6.1883
}
Ks = MyAMI_K_calc()
for k, p in K_ckeck.items():
self.assertAlmostEqual(Ks[k] / p,
1,
places=3,
msg='failed on ' + k)
return
def calc_Ks_TS(T, S, P, Ks={}):
"""
Helper function to calculate Ks given only T(C), S and P.
If Ks is a dict, the Ks provided in the dict are used
transparrently (i.e. no pressure modification).
"""
Mg = 0.0528171
Ca = 0.0102821
if isinstance(Ks, dict):
given_Ks = Ks
Ks = MyAMI_K_calc(TempC=T, Sal=S, P=P, Mg=Mg, Ca=Ca)
# non-MyAMI Constants
Ks.update(calc_KPs(T, S, P))
Ks.update(calc_KF(T, S, P))
Ks.update(calc_KSi(T, S, P))
# pH conversions to total scale.
# - KP1, KP2, KP3 are all on SWS
# - KSi is on SWS
# - MyAMI KW is on SWS... DOES THIS MATTER?
TS = calc_TS(S)
TF = calc_TF(S)
SWStoTOT = (1 + TS / Ks.KSO4) / (1 + TS / Ks.KSO4 + TF / Ks.KF)
# FREEtoTOT = 1 + 'T_' + mode]S / Ks.KSO4
conv = ["KP1", "KP2", "KP3", "KSi", "KW"]
for c in conv:
Ks[c] *= SWStoTOT
Ks.update(given_Ks)
return Ks
def get_Ks(ps):
"""
Helper function to calculate Ks.
If ps.Ks is a dict, those Ks are used
transparrently, with no pressure modification.
"""
if isinstance(ps.Ks, dict):
Ks = Bunch(ps.Ks)
else:
if maxL(ps.Mg, ps.Ca) == 1:
if ps.Mg is None:
ps.Mg = 0.0528171
if ps.Ca is None:
ps.Ca = 0.0102821
Ks = MyAMI_K_calc(TempC=ps.T, Sal=ps.S, Mg=ps.Mg, Ca=ps.Ca, P=ps.P)
else:
# if only Ca or Mg provided, fill in other with modern
if ps.Mg is None:
ps.Mg = 0.0528171
if ps.Ca is None:
ps.Ca = 0.0102821
# calculate Ca and Mg specific Ks
Ks = MyAMI_K_calc_multi(TempC=ps.T,
Sal=ps.S,
Ca=ps.Ca,
Mg=ps.Mg,
P=ps.P)
# non-MyAMI Constants
Ks.update(calc_KPs(ps.T, ps.S, ps.P))
Ks.update(calc_KF(ps.T, ps.S, ps.P))
Ks.update(calc_KSi(ps.T, ps.S, ps.P))
# pH conversions to total scale.
# - KPn are all on SWS
# - KSi is on SWS
# - MyAMI KW is on SWS... DOES THIS MATTER?
SWStoTOT = (1 + ps.TS / Ks.KSO4) / (1 + ps.TS / Ks.KSO4 + ps.TF / Ks.KF)
# FREEtoTOT = 1 + ps.TS / Ks.KSO4
conv = ['KP1', 'KP2', 'KP3', 'KSi', 'KW']
for c in conv:
Ks[c] *= SWStoTOT
return Ks
def calc_Ks(T, S, P, Mg, Ca, TS, TF, Ks=None):
"""
Helper function to calculate Ks.
If Ks is a dict, those Ks are used
transparrently (i.e. no pressure modification).
"""
if isinstance(Ks, dict):
Ks = Bunch(Ks)
else:
if maxL(Mg, Ca) == 1:
if Mg is None:
Mg = 0.0528171
if Ca is None:
Ca = 0.0102821
Ks = MyAMI_K_calc(TempC=T, Sal=S, P=P, Mg=Mg, Ca=Ca)
else:
# if only Ca or Mg provided, fill in other with modern
if Mg is None:
Mg = 0.0528171
if Ca is None:
Ca = 0.0102821
# calculate Ca and Mg specific Ks
Ks = MyAMI_K_calc_multi(TempC=T, Sal=S, P=P, Ca=Ca, Mg=Mg)
# non-MyAMI Constants
Ks.update(calc_KPs(T, S, P))
Ks.update(calc_KF(T, S, P))
Ks.update(calc_KSi(T, S, P))
# pH conversions to total scale.
# - KP1, KP2, KP3 are all on SWS
# - KSi is on SWS
# - MyAMI KW is on SWS... DOES THIS MATTER?
SWStoTOT = (1 + TS / Ks.KSO4) / (1 + TS / Ks.KSO4 + TF / Ks.KF)
# FREEtoTOT = 1 + 'T_' + mode]S / Ks.KSO4
conv = ["KP1", "KP2", "KP3", "KSi", "KW"]
for c in conv:
Ks[c] *= SWStoTOT
return Ks
def test_CompareToMehrbachData(self):
"""
Compares pK1 and pK2 calcualted by MyAMI_V2 to data from
Mehrbach et al (1973), as per Lueker et al (2000).
Test data on Total pH scale taken from Table 2 of Lueker et al (2000)
"""
# read data
lk = pd.read_csv(
"cbsyst/test_data/Lueker2000/Lueker2000_Table2.csv", comment="#"
)
# calculate MyAMI Ks
mKs = MyAMI_K_calc(lk.TempC, lk.Sal)
# calculate pK1 and pK2 2 residuals
rpK1 = lk.pK1 - -np.log10(mKs.K1)
rpK2 = lk.pK2 - -np.log10(mKs.K2)
# calculate median and 95% CI of residuals
rpK1_median = rpK1.median()
rpK1_95ci = np.percentile(rpK1[~np.isnan(rpK1)], (2.5, 97.5))
self.assertLessEqual(
abs(rpK1_median), 0.005, msg="Median offset from Mehrbach (1973) pK1."
)
self.assertTrue(
all(abs(rpK1_95ci) <= 0.02),
msg="95% CI of difference from Mehrbach pK1 <= 0.02",
)
rpK2_median = rpK1.median()
rpK2_95ci = np.percentile(rpK2[~np.isnan(rpK2)], (2.5, 97.5))
self.assertLessEqual(
abs(rpK2_median), 0.005, msg="Median offset from Mehrbach (1973) pK2."
)
self.assertTrue(
all(abs(rpK2_95ci) <= 0.02),
msg="95% CI of difference from Mehrbach pK2 <= 0.02",
)
return