fix: fix invalid escape sequence

[njzjz]

Fix the warning below:

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:6
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:6: DeprecationWarning: invalid escape sequence '\|'
    latt_patt = "\|\s+([0-9]{1,}[.][0-9]*)\s+([0-9]{1,}[.][0-9]*)\s+([0-9]{1,}[.][0-9]*)"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:7
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:7: DeprecationWarning: invalid escape sequence '\|'
    pos_patt_first = "\|\s+[0-9]{1,}[:]\s\w+\s(\w+)(\s.*[-]?[0-9]{1,}[.][0-9]*)(\s+[-]?[0-9]{1,}[.][0-9]*)(\s+[-]?[0-9]{1,}[.][0-9]*)"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:8
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:8: DeprecationWarning: invalid escape sequence '\s'
    pos_patt_other = "\s+[a][t][o][m]\s+([-]?[0-9]{1,}[.][0-9]*)\s+([-]?[0-9]{1,}[.][0-9]*)\s+([-]?[0-9]{1,}[.][0-9]*)\s+(\w{1,2})"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:9
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:9: DeprecationWarning: invalid escape sequence '\|'
    force_patt = "\|\s+[0-9]{1,}\s+([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})\s+([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})\s+([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:10
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:10: DeprecationWarning: invalid escape sequence '\s'
    eng_patt = "Total energy uncorrected.*([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})\s+eV"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:41
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:41: DeprecationWarning: invalid escape sequence '\s'
    while len(re.split("\s+", lines[blk_idx])) == 0:

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:44
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:44: DeprecationWarning: invalid escape sequence '\s'
    if len(re.split("\s+", lines[blk_idx])) == 0 or lines[blk_idx] == "":

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:332
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:332: DeprecationWarning: invalid escape sequence '\s'
    if len(re.split("\s+", geometry_inlines[iline])) >= 3:

[coderabbitai]

Walkthrough

Walkthrough

The modifications involve updating regular expression patterns across two Python files by introducing raw string literals. This change enhances the accuracy of pattern matching operations within functions that process text data. The adjustment ensures that special characters in regular expressions are interpreted correctly, improving the reliability of data parsing in the codebase.

Changes

File Path	Change Summary
dpdata/.../scf.py	Updated regular expression patterns in functions get_block and get_nele_from_stru to use raw string literals for better pattern matching.
dpdata/.../output.py	Added raw string (r) prefixes to regular expression patterns used in lattice, position, force, and energy calculations.

---

Recent Review Details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between f69f6d4 and 7a4ec36.

Files selected for processing (2)

• dpdata/abacus/scf.py (2 hunks)
• dpdata/fhi_aims/output.py (1 hunks)

Files skipped from review due to trivial changes (1)

• dpdata/fhi_aims/output.py

Additional Context Used

Ruff (7)

dpdata/abacus/scf.py (7)

26-26: Use format specifiers instead of percent format

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94-94: Use format specifiers instead of percent format

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134-134: Use format specifiers instead of percent format

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370-370: Use format specifiers instead of percent format

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374-374: Use format specifiers instead of percent format

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383-383: Use format specifiers instead of percent format

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388-388: Use format specifiers instead of percent format

Additional comments not posted (3)

dpdata/abacus/scf.py (3)

41-41: Correctly updated regular expression to raw string format.

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44-44: Correctly updated regular expression to raw string format.

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332-332: Correctly updated regular expression to raw string format.

---

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[codecov]

Codecov Report

Attention: Patch coverage is 75.00000% with 2 lines in your changes are missing coverage. Please review.

Project coverage is 83.67%. Comparing base (f69f6d4) to head (7a4ec36).

Files	Patch %	Lines
dpdata/abacus/scf.py	33.33%	2 Missing ⚠️

Additional details and impacted files

@@           Coverage Diff           @@
##            devel     #647   +/-   ##
=======================================
  Coverage   83.67%   83.67%           
=======================================
  Files          80       80           
  Lines        7006     7006           
=======================================
  Hits         5862     5862           
  Misses       1144     1144           

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