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Critical hot fix for correct He mass #207

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merged 2 commits into from
Jul 8, 2024
Merged

Critical hot fix for correct He mass #207

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12ac513
critical hot fix; fixes bug that is pulling 3 as the mass of He
natashabatalha Jul 8, 2024
a82531e
Merge pull request #206 from natashabatalha/master
natashabatalha Jul 8, 2024
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4 changes: 3 additions & 1 deletion picaso/atmsetup.py
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Original file line number Diff line number Diff line change
Expand Up @@ -330,7 +330,9 @@ def get_weights(self, molecule):
el, num = sep
#default isotope
if iso_num=='main':
iso_num = list(ele[el].isotopes.keys())[0]
#select the main isotope off according to that with the highest relative abundance
main_iso = np.argmax([ele[el].isotopes[i].abundance for i in ele[el].isotopes.keys()])
iso_num = list(ele[el].isotopes.keys())[main_iso]
totmass += ele[el].isotopes[iso_num].mass*float(num)

weights[i]=totmass
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