Merge pull request #328 from HajimeKawahara/molmass_isotope

Molmass isotope
HajimeKawahara · Dec 26, 2022 · 4727e13 · 4727e13
2 parents 5d59869 + d52c66c
commit 4727e13
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diff --git a/examples/Gl229B/forward.py b/examples/Gl229B/forward.py
@@ -58,7 +58,7 @@
 mdbCH4 = moldb.MdbExomol('.database/CH4/12C-1H4/YT10to10/', nus, crit=1.e-36)
 cdbH2H2 = contdb.CdbCIA('.database/H2-H2_2011.cia', nus)
 print('N=', len(mdbCH4.A))
-molmassCH4 = molinfo.molmass('CH4')
+molmassCH4 = molinfo.molmass_isotope('CH4')
 qt = vmap(mdbCH4.qr_interp)(Tarr)
 gammaLMP = jit(vmap(gamma_exomol, (0, 0, None, None)))(
     Parr, Tarr, mdbCH4.n_Texp, mdbCH4.alpha_ref)
@@ -95,7 +95,7 @@
 
 mmw = 2.33  # mean molecular weight
 mmrH2 = 0.74
-molmassH2 = molinfo.molmass('H2')
+molmassH2 = molinfo.molmass_isotope('H2')
 vmrH2 = (mmrH2*mmw/molmassH2)  # VMR
 dtaucH2H2 = dtauCIA(nus, Tarr, Parr, dParr, vmrH2, vmrH2,
                     mmw, g, cdbH2H2.nucia, cdbH2H2.tcia, cdbH2H2.logac)

diff --git a/examples/LUH16A/COMP/complpf.py b/examples/LUH16A/COMP/complpf.py
@@ -50,14 +50,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/COMP/compmodit.py b/examples/LUH16A/COMP/compmodit.py
@@ -44,14 +44,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/COMP/compmodit_eval.py b/examples/LUH16A/COMP/compmodit_eval.py
@@ -52,14 +52,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/FidEMbu/fit.py b/examples/LUH16A/FidEMbu/fit.py
@@ -43,14 +43,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/FidEMbug/fit.py b/examples/LUH16A/FidEMbug/fit.py
@@ -39,8 +39,8 @@
 Parr, dParr, k=pressure_layer(NP=NP)
 mmw=2.33 #mean molecular weight
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 # Instrument
 beta=resolution_to_gaussian_std(100000.) #std of gaussian from R=100000.
@@ -66,8 +66,8 @@
 # LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 cdbH2H2=contdb.CdbCIA('.database/H2-H2_2011.cia',nus)

diff --git a/examples/LUH16A/FidEMbug/fit_matern.py b/examples/LUH16A/FidEMbug/fit_matern.py
@@ -43,14 +43,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/FidEMbug/postfig.py b/examples/LUH16A/FidEMbug/postfig.py
@@ -49,14 +49,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/FidEMbug/postfig_matern.py b/examples/LUH16A/FidEMbug/postfig_matern.py
@@ -49,14 +49,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/FidEMbug_modit/fit.py b/examples/LUH16A/FidEMbug_modit/fit.py
@@ -44,17 +44,17 @@
 Parr, dParr, k=pressure_layer(NP=NP)
 mmw=2.33 # Mean molecular weight
 ONEARR=np.ones_like(Parr) # ones_array for MMR
-molmassCO=molinfo.molmass("CO") # molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") # molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") # molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") # molecular mass (H2O)
 
 # Instrument
 beta=resolution_to_gaussian_std(100000.) #std of gaussian from R=100000.
 
 # LOADING CIA
 mmrH2=0.74 # mean molecualr weight of H2 for CIA
 mmrHe=0.25 # mean molecualr weight of He for CIA
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/advanced/FreeT/fit.py b/examples/LUH16A/advanced/FreeT/fit.py
@@ -43,14 +43,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/advanced/FreeT_modit/fit.py b/examples/LUH16A/advanced/FreeT_modit/fit.py
@@ -44,14 +44,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/advanced/HDC/fit.py b/examples/LUH16A/advanced/HDC/fit.py
@@ -51,14 +51,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/advanced/MassEMbug/fit.py b/examples/LUH16A/advanced/MassEMbug/fit.py
@@ -42,14 +42,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/advanced/MassHITbug/fit.py b/examples/LUH16A/advanced/MassHITbug/fit.py
@@ -45,14 +45,14 @@
 R=100000.
 beta=c/(2.0*np.sqrt(2.0*np.log(2.0))*R) #IP sigma need check
 ONEARR=np.ones_like(Parr) #ones_array for MMR
-molmassCO=molinfo.molmass("CO") #molecular mass (CO)
-molmassH2O=molinfo.molmass("H2O") #molecular mass (H2O)
+molmassCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+molmassH2O=molinfo.molmass_isotope("H2O") #molecular mass (H2O)
 
 #LOADING CIA
 mmrH2=0.74
 mmrHe=0.25
-molmassH2=molinfo.molmass("H2")
-molmassHe=molinfo.molmass("He")
+molmassH2=molinfo.molmass_isotope("H2")
+molmassHe=molinfo.molmass_isotope("He")
 vmrH2=(mmrH2*mmw/molmassH2)
 vmrHe=(mmrHe*mmw/molmassHe)
 

diff --git a/examples/LUH16A/postfig/coratio.py b/examples/LUH16A/postfig/coratio.py
@@ -20,8 +20,8 @@ def est(val,N=3):
 
 
 p=np.load("npz/savepos.npz",allow_pickle=True)["arr_0"][0]
-mCO=molinfo.molmass("CO") #molecular mass (CO)
-mH2O=molinfo.molmass("H2O") #molecular mass (CO)
+mCO=molinfo.molmass_isotope("CO") #molecular mass (CO)
+mH2O=molinfo.molmass_isotope("H2O") #molecular mass (CO)
 T0=p["T0"]
 mmrCO=p["MMR_CO"]
 mmrH2O=p["MMR_H2O"]

diff --git a/examples/bd/reverse_J1645.py b/examples/bd/reverse_J1645.py
@@ -83,12 +83,12 @@
 beta_inst = resolution_to_gaussian_std(Rinst)
 
 
-molmassH2O = molinfo.molmass('H2O')
-molmassCO = molinfo.molmass('CO')
+molmassH2O = molinfo.molmass_isotope('H2O')
+molmassCO = molinfo.molmass_isotope('CO')
 
 mmw = 2.33  # mean molecular weight
 mmrH2 = 0.74
-molmassH2 = molinfo.molmass('H2')
+molmassH2 = molinfo.molmass_isotope('H2')
 vmrH2 = (mmrH2*mmw/molmassH2)  # VMR
 
 #

diff --git a/examples/lblprof/lbl.py b/examples/lblprof/lbl.py
@@ -46,10 +46,10 @@
 R = 100000.
 beta = c/(2.0*np.sqrt(2.0*np.log(2.0))*R)
 
-molmassCO = molinfo.molmass('CO')
+molmassCO = molinfo.molmass_isotope('CO')
 mmw = 2.33  # mean molecular weight
 mmrH2 = 0.74
-molmassH2 = molinfo.molmass('H2')
+molmassH2 = molinfo.molmass_isotope('H2')
 vmrH2 = (mmrH2*mmw/molmassH2)  # VMR
 
 Mp = 33.2  # fixing mass...

diff --git a/examples/lblprof/testprof.py b/examples/lblprof/testprof.py
@@ -43,10 +43,10 @@
 R = 100000.
 beta = c/(2.0*np.sqrt(2.0*np.log(2.0))*R)
 
-molmassCO = molinfo.molmass('CO')
+molmassCO = molinfo.molmass_isotope('CO')
 mmw = 2.33  # mean molecular weight
 mmrH2 = 0.74
-molmassH2 = molinfo.molmass('H2')
+molmassH2 = molinfo.molmass_isotope('H2')
 vmrH2 = (mmrH2*mmw/molmassH2)  # VMR
 
 Mp = 33.2  # fixing mass...

diff --git a/examples/testlines/line_strength_BT2.py b/examples/testlines/line_strength_BT2.py
@@ -14,7 +14,7 @@
 # molmass=molinfo.molmass("CO") #molecular mass (CO)
 mdbM = moldb.MdbExomol('.database/H2O/1H2-16O/BT2', nus,
                        crit=1.e-45)  # loading molecular dat
-molmassM = molinfo.molmass('H2O')  # molecular mass (H2O)
+molmassM = molinfo.molmass_isotope('H2O')  # molecular mass (H2O)
 
 
 q = mdbM.qr_interp(1500.0)

diff --git a/examples/testlines/line_strength_H2O.py b/examples/testlines/line_strength_H2O.py
@@ -14,7 +14,7 @@
 # molmass=molinfo.molmass("CO") #molecular mass (CO)
 mdbM = moldb.MdbExomol('.database/H2O/1H2-16O/POKAZATEL',
                        nus, crit=1.e-45)  # loading molecular dat
-molmassM = molinfo.molmass('H2O')  # molecular mass (H2O)
+molmassM = molinfo.molmass_isotope('H2O')  # molecular mass (H2O)
 
 
 q = mdbM.qr_interp(1500.0)

diff --git a/src/exojax/atm/viscosity.py b/src/exojax/atm/viscosity.py
@@ -88,10 +88,10 @@ def calc_vfactor(atm='H2', LJPparam=None):
 
 
     """
-    from exojax.spec.molinfo import molmass
+    from exojax.spec.molinfo import molmass_isotope
     from exojax.utils.constants import kB, m_u
 
-    mu = molmass(atm)
+    mu = molmass_isotope(atm)
 
     if LJPparam is None:
         LJPparam_d, LJPparam_epsilon_per_kB = get_LJPparam()