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fixed unit cell bug

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Beale John Henry
2023-12-10 13:06:37 +01:00
parent 8b032c6921
commit e76be54f28
1 changed files with 1 additions and 1 deletions
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clen_tools/distance-scan-analysis.py
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@@ -77,7 +77,7 @@ def scrub_us( stream ):
# example - Cell parameters 7.71784 7.78870 3.75250 nm, 90.19135 90.77553 90.19243 deg # example - Cell parameters 7.71784 7.78870 3.75250 nm, 90.19135 90.77553 90.19243 deg
# scrub clen and return - else nan # scrub clen and return - else nan
try: try:
pattern = r"Cell\sparameters\s(\d\.\d+)\s(\d\.\d+)\s(\d\.\d+)\snm,\s(\d+\.\d+)\s(\d+\.\d+)\s(\d+\.\d+)\sdeg" pattern = r"Cell\sparameters\s(\d+\.\d+)\s(\d+\.\d+)\s(\d+\.\d+)\snm,\s(\d+\.\d+)\s(\d+\.\d+)\s(\d+\.\d+)\sdeg"
cells = re.findall( pattern, stream ) cells = re.findall( pattern, stream )
if AttributeError: if AttributeError:
return cells return cells