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Inital imp. of variables being stored in yml files
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This intial implimentation is related to issue #112.

Signed-off-by: [email protected] <[email protected]>
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tsherwen committed May 9, 2022
1 parent f38d558 commit 8a8162e
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125 changes: 125 additions & 0 deletions AC_tools/family_variables.yml

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1 change: 1 addition & 0 deletions AC_tools/generic.py
Original file line number Diff line number Diff line change
Expand Up @@ -1311,3 +1311,4 @@ def add_suffix2all_strs_in_dict(d, PrefixStr='OutputDir/'):
str += PrefixStr
d[key] = str
return d

55 changes: 55 additions & 0 deletions AC_tools/reference_families_for_speciess.yml
Original file line number Diff line number Diff line change
@@ -0,0 +1,55 @@
Cly: Cl
Cl: Cl
LOx: O3
POx: O3
LOX: O3
POX: O3
LIOx: I
PIOx: I
PClOx: Cl
LClOx: Cl
PClOxI: Cl
LClOxI: Cl
PClOxII: Cl
LClOxII: Cl
LCI: Cl
LCII: Cl
PBrOx: Br
LBrOx: Br
Br: Br
Bry: Br
I: I
Iy: I
IxOy: I
SO4: S
NIT: N
NITD1: N
NITD2: N
NITD3: N
NITD4: N
NITs: N
NH4: N
ISOP: C
NO: N
NO2: N
N2O5: N
O3: O3
SO2: S
ACET: C
ALD2: C
DMS: S
HOI: I
I2: I
CH3I: I
CH3IT: I
CH2I2: I
CH2IBr: I
CH2ICl: I
CHBr3: Br
CH2Br2: Br
CH3Br: Br
CH2Cl2: Cl
CHCl3: Cl
CH3Cl: Cl
HCl: Cl
HBr: Br
226 changes: 226 additions & 0 deletions AC_tools/species_mass.yml
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ACET: 12.0
ACTA: 60.0
AERI: 127.0
AERI_AVG: 151.0
ALD2: 12.0
ALK4: 12.0
ASOA1: 150.0
ASOA2: 150.0
ASOA3: 150.0
ASOAN: 150.0
ASOG1: 150.0
ASOG2: 150.0
ASOG3: 150.0
BCPI: 12.0
BCPO: 12.0
BENZ: 78.11
Br: 80.0
Br2: 160.0
BrCl: 115.0
BrNO2: 126.0
BrNO3: 142.0
BrO: 96.0
BrSALA: 80.0
BrSALC: 80.0
Bromine: 80.0
Bry: 80.0
C: 12.0
C2H4: 12.0
C2H5I: 168.0
C2H6: 12.0
C3H7I: 170.0
C3H8: 12.0
CCl4: 152.0
CFC11: 137.0
CFC113: 187.0
CFC114: 187.0
CFC115: 187.0
CFC12: 121.0
CH2Br2: 174.0
CH2Cl2: 85.0
CH2I2: 268.0
CH2IBr: 221.0
CH2ICl: 167.0
CH2O: 30.0
CH2OO: 46.0
CH3Br: 95.0
CH3CCl3: 133.0
CH3Cl: 50.5
CH3I: 142.0
CH3IT: 142.0
CH4: 16.0
CHBr3: 253.0
CHCl3: 119.5
CO: 28.0
Chlorine: 35.0
Cl: 35.0
Cl2: 71.0
Cl2O2: 103.0
ClNO2: 81.5
ClNO3: 97.5
ClO: 51.0
ClOO: 67.5
Cly: 35.0
DHDN: 226.0
DMS: 62.0
DST1: 29.0
DST2: 29.0
DST3: 29.0
DST4: 29.0
EOH: 46.07
ETHLN: 105.0
GLYC: 60.0
GLYX: 58.0
H1211: 165.0
H1301: 149.0
H2402: 260.0
H2O: 18.0
H2O2: 34.0
HAC: 74.0
HBr: 81.0
HC187: 187.0
HCFC123: 117.0
HCFC141b: 117.0
HCFC142b: 117.0
HCFC22: 86.0
HCOOH: 46.0
HCl: 36.5
HI: 128.0
HIO3: 176.0
HNO2: 47.0
HNO3: 63.0
HNO4: 79.0
HO2: 33.0
HOBr: 97.0
HOCl: 52.5
HOI: 144.0
HONIT: 215.0
HPALD: 116.0
I: 127.0
I2: 254.0
I2O: 270.0
I2O2: 286.0
I2O3: 302.0
I2O4: 318.0
I2O5: 334.0
IBr: 207.0
ICl: 162.0
IEPOX: 118.0
IEPOXA: 118.0
IEPOXB: 118.0
IEPOXD: 118.0
IMAE: 102.0
INDIOL: 102.0
INO: 157.0
IO: 143.0
IO3: 175.0
IONITA: 14.0
IONO: 173.0
IONO2: 189.0
IPMN: 147.0
ISALA: 127.0
ISALC: 127.0
ISN1: 147.0
ISN1OA: 226.0
ISN1OG: 226.0
ISOA1: 150.0
ISOA2: 150.0
ISOA3: 150.0
ISOG1: 150.0
ISOG2: 150.0
ISOG3: 150.0
ISOP: 12.0
ISOPN: 147.0
ISOPNB: 147.0
ISOPND: 147.0
Iodine: 127.0
Iy: 127.0
LIMO: 136.0
LVOC: 154.0
LVOCOA: 154.0
MACR: 70.0
MACRN: 149.0
MAP: 76.0
MEK: 12.0
MGLY: 72.0
MMN: 149.0
MOBA: 114.0
MONITA: 14.0
MONITS: 215.0
MONITU: 215.0
MP: 48.0
MPN: 93.0
MSA: 96.0
MTPA: 136.0
MTPO: 136.0
MVK: 70.0
MVKN: 149.0
N: 14.0
N2O: 44.0
N2O5: 105.0
NH3: 17.0
NH4: 18.0
NIT: 62.0
NITD1: 62.0
NITD2: 62.0
NITD3: 62.0
NITD4: 62.0
NITS: 31.0
NITs: 62.0
NO: 30.0
NO2: 46.0
NO3: 62.0
NOx: 14.0
NOy: 14.0
NPMN: 147.0
O3: 48.0
OCPI: 12.0
OCPO: 12.0
OCS: 60.0
OClO: 67.0
OH: 17.0
OIO: 159.0
PAN: 121.0
PMN: 147.0
PPN: 135.0
PROPNN: 109.0
PRPE: 12.0
R4N2: 119.0
RCHO: 58.0
RIP: 118.0
RIPA: 118.0
RIPB: 118.0
RIPD: 118.0
S: 32.0
SALA: 31.4
SALC: 31.4
SO2: 64.0
SO4: 96.0
SO4D1: 96.0
SO4D2: 96.0
SO4D3: 96.0
SO4D4: 96.0
SO4S: 96.0
SO4s: 96.0
SOAGX: 58.0
SOAIE: 118.0
SOAME: 102.0
SOAMG: 72.0
SOAP: 150.0
SOAS: 150.0
SOx: 32.0
SSBr2: 160.0
Sulfate: 32.0
TOLU: 92.14
TSOA0: 150.0
TSOA1: 150.0
TSOA2: 150.0
TSOA3: 150.0
TSOG0: 150.0
TSOG1: 150.0
TSOG2: 150.0
TSOG3: 150.0
VOCs: 12.0
XYLE: 106.16
pFe: 55.85
sulfur: 32.0
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