Fixed bug on parsing coordinates of WFs when there is no space #21
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after the comma (for many-digit numbers). Not perfect, but good workaround (also for #1) that does not require to change Wannier90.
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Feel free to delete the fix_ branch after merging |
| z = float(line.split('(')[1].split()[2].strip(',')) | ||
| try: | ||
| x = float( | ||
| line.split('(')[1].split(')')[0].split(',')[0].strip() |
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Is the final .strip() actually necessary? I think the float constructor is happy to accept string with leading or trailing whitespace.
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You are probably right, I wanted to be sure :-)
| try: | ||
| z = float( | ||
| line.split('(')[1].split(')')[0].split(',')[2].strip() | ||
| ) |
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I think we could de-duplicate the line.split('(')[1].split(')')[0].split(',') part:
Maybe something like the following?
x, y, z = (
float(val) for val in
line.split('(')[1].split(')')[0].split(',')
)
Or is there a case where one of the coordinates could fail, but not the others?
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There is unfortunately, when ******* is printed. We will need anyway at some point to change Wannier90 to print what we need in a csv file or similar as discussed in #1
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Just to avoid to forget, I write it here: a fast way to try the parser is |
after the comma (for many-digit numbers). Not perfect,
but good workaround (also for #1) that does not require to change
Wannier90.