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Merge pull request #36 from uclchem/patches/remove_prod_dest
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Remove writing of production and destruction
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GijsVermarien authored Apr 4, 2023
2 parents 21c9010 + d3f0723 commit 9cae854
Showing 1 changed file with 4 additions and 3 deletions.
7 changes: 4 additions & 3 deletions src/uclchem/analysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -384,14 +384,15 @@ def _write_analysis(
"\n\n***************************\nNew Important Reactions At: {0:.2e} years\n".format(
time
)
)
output_file.write("Formation = {0:.2e} from:".format(total_production))
)
# Formation and destruction writing is disabled since the absolute numbers do not appear to be correct.
# output_file.write("Formation = {0:.2e} from:".format(total_production))
for k, reaction in enumerate(key_reactions):
if key_changes[k] > 0:
outString = f"\n{reaction} : {float(key_changes[k] / total_production):.2%}"
output_file.write(outString)

output_file.write("\n\nDestruction = {0:.2e} from:".format(total_destruction))
# output_file.write("\n\nDestruction = {0:.2e} from:".format(total_destruction))
for k, reaction in enumerate(key_reactions):
if key_changes[k] < 0:
outString = (
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