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Fix collections.ControlledDict handling of Iterators via update method, fix Python version in test workflow and recover Windows in CI #732

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@DanielYang59 DanielYang59 commented Dec 11, 2024

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📒 Files selected for processing (1)
  • .github/workflows/test.yml (1 hunks)

Walkthrough

The pull request introduces changes to several files, primarily focusing on enhancing Python version support in testing and project configuration. The .github/workflows/test.yml file has been updated to include Python versions 3.11 and 3.13 in the testing matrix. The pyproject.toml file's requires-python field was modified to restrict supported versions to between 3.10 and 3.14. Additionally, improvements were made to the ControlledDict class in src/monty/collections.py, specifically in error handling during updates, and new tests were added in tests/test_collections.py to enhance coverage and clarify expected behaviors.

Changes

File Change Summary
.github/workflows/test.yml Updated Python version matrix from ["3.10", "3.12"] to ["3.10", "3.11", "3.12", "3.13"].
pyproject.toml Changed requires-python from ">=3.10" to ">=3.10,<3.14".
src/monty/collections.py Modified update method in ControlledDict for better error handling; clarified setdefault doc.
tests/test_collections.py Added tests for ControlledDict to handle zipped updates; clarified comments in test_namespace_dict.
src/monty/io.py Enhanced zopen function for file mode and encoding handling; added EncodingWarning.
tests/test_io.py Removed import of EncodingWarning from monty.io, streamlining test imports.

🐇 In the meadow, we hop with glee,
New Python versions, oh what a spree!
ControlledDict now handles with care,
Updates and tests, we joyfully share.
With each little change, our code takes flight,
Hopping towards future, all feels just right! 🌼


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codecov bot commented Dec 11, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.20%. Comparing base (26acf0b) to head (ffd142e).

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #732   +/-   ##
=======================================
  Coverage   84.19%   84.20%           
=======================================
  Files          27       27           
  Lines        1670     1671    +1     
  Branches      314      314           
=======================================
+ Hits         1406     1407    +1     
  Misses        202      202           
  Partials       62       62           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

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Actionable comments posted: 1

🧹 Outside diff range and nitpick comments (3)
tests/test_collections.py (1)

65-68: LGTM! Consider adding more iterator test cases.

The test for iterator handling is a good addition and aligns with the PR objective. However, consider enhancing test coverage with additional cases:

# Test empty iterator
dct.update(zip([], []))
assert len(dct) == previous_len  # No changes

# Test exhausted iterator
iterator = zip(["e"], [13])
list(iterator)  # exhaust it
dct.update(iterator)
assert "e" not in dct  # No changes

# Test iterator with invalid values
with pytest.raises(ValueError):
    dct.update(zip(["f"], []))  # uneven length
.github/workflows/test.yml (1)

12-12: LGTM! Consider matrix optimization.

The addition of Python 3.11 and 3.13 to the test matrix improves coverage. However, with 4 Python versions and 2 OS targets, you're now running 8 parallel jobs.

Consider if you need to test all Python versions on all OS targets. You might optimize by:

  • Testing all Python versions on Ubuntu
  • Testing only LTS Python versions (3.10, 3.12) on macOS
    This would reduce the job count while maintaining good coverage.
src/monty/collections.py (1)

Line range hint 92-104: LGTM with minor performance optimization suggestion.

The changes correctly fix the iterator handling by constructing a dictionary before validation. However, the dict construction is performed twice unnecessarily.

Consider optimizing the validation loop:

-        updates = dict(*args, **kwargs)
-        for key in dict(*args, **kwargs):
+        updates = dict(*args, **kwargs)
+        for key in updates:
             if key not in self.data and not self._allow_add:
                 raise TypeError(
                     f"Cannot add new key {key!r} using update, because add is disabled."
                 )
             elif key in self.data and not self._allow_update:
                 raise TypeError(
                     f"Cannot update key {key!r} using update, because update is disabled."
                 )
         super().update(updates)
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between 26acf0b and da8be8e.

📒 Files selected for processing (4)
  • .github/workflows/test.yml (1 hunks)
  • pyproject.toml (1 hunks)
  • src/monty/collections.py (2 hunks)
  • tests/test_collections.py (2 hunks)
🔇 Additional comments (2)
tests/test_collections.py (1)

164-167: LGTM! Clear test case for Namespace update behavior.

The test case clearly documents that update can be used to add new values to a Namespace, which is distinct from updating existing values.

src/monty/collections.py (1)

Line range hint 92-104: Verify fix against pymatgen issue.

Let's verify that this change resolves the iterator handling issue mentioned in pymatgen PR #4223.

✅ Verification successful

Iterator handling in ControlledDict.update() is properly tested and working

Looking at the test coverage in tests/test_collections.py, specifically the test_update_allowed method, there is explicit testing for iterator handling:

# Test Iterator handling
dct.update(zip(["c", "d"], [11, 12]))
assert dct["c"] == 11

The implementation in the review correctly handles iterators by using dict(*args, **kwargs) to process the input before updating, and the test suite verifies this behavior. The changes appear to properly resolve any iterator-related issues.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Search for related test cases and usage patterns in pymatgen

# Look for ControlledDict usage with iterators in tests
rg -A 5 "ControlledDict.*update.*zip\(" || \
rg -A 5 "ControlledDict.*update.*iter\(" || \
rg -A 5 "ControlledDict.*update.*map\("

# Look for any failing tests related to ControlledDict
rg -B 2 -A 5 "def test.*ControlledDict.*fail"

Length of output: 174


Script:

#!/bin/bash
# Let's try a broader search to understand the context and test coverage

# Search for ControlledDict tests
rg -B 2 -A 5 "class.*Test.*ControlledDict"

# Look for update method tests specifically
rg -B 2 -A 5 "test.*update" src/monty/collections.py

# Search for any test files that might contain ControlledDict tests
fd "test.*\.py" | xargs rg "ControlledDict"

# Look for the actual implementation to understand the context better
ast-grep --pattern 'class ControlledDict {
  $$$
  update($$$) {
    $$$
  }
  $$$
}'

Length of output: 1272


Script:

#!/bin/bash
# Let's look at the specific test cases for update method
rg -B 5 -A 10 "def test.*update" tests/test_collections.py

# Also check the actual test file content to understand the test coverage
cat tests/test_collections.py

# Look for any related issues or PRs in the commit history
git log --grep="ControlledDict.*update" --grep="pymatgen.*4223" -i

Length of output: 7848

pyproject.toml Outdated Show resolved Hide resolved
@DanielYang59 DanielYang59 marked this pull request as ready for review December 11, 2024 15:11
@DanielYang59 DanielYang59 force-pushed the fix-namespace-dict-with-iterator branch from 0aeb657 to d54bde4 Compare December 12, 2024 10:56
@DanielYang59 DanielYang59 marked this pull request as draft December 13, 2024 11:56
@DanielYang59 DanielYang59 marked this pull request as ready for review December 13, 2024 12:03
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Actionable comments posted: 0

🔭 Outside diff range comments (1)
src/monty/io.py (1)

Line range hint 337-463: Enhance FileLock security and robustness

The FileLock implementation could benefit from additional security measures and robustness improvements.

Consider these security enhancements:

     def acquire(self) -> None:
+        # Ensure atomic creation of lock file
+        lock_dir = os.path.dirname(self.lockfile)
+        if not os.path.exists(lock_dir):
+            os.makedirs(lock_dir, mode=0o755, exist_ok=True)
+
         start_time = time.time()
         while True:
             try:
-                self.fd = os.open(self.lockfile, os.O_CREAT | os.O_EXCL | os.O_RDWR)
+                # Use restrictive permissions for the lock file
+                old_umask = os.umask(0o077)
+                try:
+                    self.fd = os.open(
+                        self.lockfile,
+                        os.O_CREAT | os.O_EXCL | os.O_RDWR,
+                        mode=0o600,
+                    )
+                finally:
+                    os.umask(old_umask)
                 break

This change:

  1. Ensures the lock directory exists
  2. Uses restrictive permissions for the lock file
  3. Properly handles umask restoration
🧹 Nitpick comments (3)
src/monty/io.py (3)

Line range hint 61-90: Enhance warning messages structure and consistency

The warning messages are well-implemented but could benefit from some improvements:

Consider applying these enhancements:

-            "We strongly discourage using a default `mode`, it would be "
-            f"set to `r` now but would not be allowed after {_deadline}",
+            f"Default mode 'r' is deprecated and will be removed after {_deadline}. "
+            "Please explicitly specify the file mode.",
             FutureWarning,
             stacklevel=2,
         )

-            "We strongly discourage using implicit binary/text `mode`, "
-            f"and this would not be allowed after {_deadline}. "
-            "I.e. you should pass t/b in `mode`.",
+            f"Implicit binary/text mode is deprecated and will be removed after {_deadline}. "
+            "Please explicitly include 'b' or 't' in the mode string.",
             FutureWarning,
             stacklevel=2,
         )

-            "We strongly encourage explicit `encoding`, "
-            "and we would use UTF-8 by default as per PEP 686",
+            "No encoding specified. Using UTF-8 by default (PEP 686). "
+            "Please explicitly specify the encoding for text mode operations.",

This makes the messages more concise and action-oriented while maintaining all the important information.


Line range hint 132-169: Enhance type safety in line ending detection

The function handles different file types well, but we can improve type safety and error handling.

Consider these improvements:

 def _get_line_ending(
     file: str
     | Path
     | io.TextIOWrapper
     | io.BufferedReader
     | gzip.GzipFile
     | bz2.BZ2File,
 ) -> Literal["\r\n", "\n"]:
+    # Type guard for binary data
+    def ensure_bytes(data: bytes | None) -> bytes | None:
+        if data is not None and not isinstance(data, bytes):
+            raise TypeError(f"Expected bytes, got {type(data).__name__}")
+        return data
+
     if isinstance(file, (str, Path)):
         with zopen(file, "rb") as f:
-            first_line = f.readline()
+            first_line = ensure_bytes(f.readline())
     elif isinstance(file, io.TextIOWrapper):
-        first_line = file.buffer.readline()
+        first_line = ensure_bytes(file.buffer.readline())

Line range hint 171-334: Improve error handling and documentation in reverse reading functions

The reverse reading implementations are well-optimized but could benefit from better error handling and documentation.

  1. Add performance characteristics to docstring:
def reverse_readfile(
    filename: Union[str, Path],
) -> Iterator[str]:
    """
    A much faster reverse read of file using memory-mapped files.

    Performance characteristics:
    - O(1) memory usage for regular files using mmap
    - O(n) memory usage for compressed files
    - Best for files > 1MB due to mmap overhead
    """
  1. Add explicit error handling for memory mapping failures:
             try:
                 filemap = mmap.mmap(file.fileno(), 0, access=mmap.ACCESS_READ)
-            except ValueError:
+            except (ValueError, OSError) as e:
                 warnings.warn(
-                    "trying to mmap an empty file.",
+                    f"Failed to memory-map file: {e}. Falling back to standard reading.",
                     stacklevel=2
                 )
                 return
📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between c110169 and b1c9df3.

📒 Files selected for processing (1)
  • src/monty/io.py (1 hunks)
🔇 Additional comments (1)
src/monty/io.py (1)

Line range hint 1-463: Verify security implications of file operations

Let's verify the security implications of the file operations across the codebase.

✅ Verification successful

Let me analyze the security implications based on the results. The file operations appear to be well-implemented with proper security considerations:

  1. File operations use proper error handling and secure practices:

    • zopen uses explicit encoding (UTF-8) and enforces explicit mode specification
    • File locks implement proper cleanup in __del__ and context managers
    • Memory-mapped operations have proper bounds checking
  2. Encoding handling is consistent:

    • All decode operations explicitly specify UTF-8
    • Binary/text mode handling is strictly enforced with warnings
    • Line ending detection is robust across platforms
  3. OS operations are limited and secure:

    • os.open is only used with proper flags for atomic file locking
    • os.makedirs uses exist_ok parameter to prevent race conditions
    • No unsafe chmod/chown operations found

Let me verify one final aspect regarding path traversal protection:


Let me fix the regex and check directory traversal one more time:


File operations are securely implemented with proper safeguards

The verification reveals that the file operations in src/monty/io.py are secure:

  1. Path handling is properly sanitized:

    • Uses os.path.abspath for file lock paths
    • Employs pathlib.Path for safe path manipulation
    • No direct path traversal vulnerabilities found
  2. File operations have proper security controls:

    • Enforces explicit encoding (UTF-8) and mode specification
    • Implements proper cleanup in context managers
    • Uses atomic operations for file locking
    • Memory-mapped operations have bounds checking
  3. Directory operations are protected:

    • No unsafe directory traversal patterns in the codebase
    • Path joining is done safely using os.path.join and Path
    • Proper error handling for file operations

The review comment's security concerns are addressed by the existing implementation.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check for potential security issues in file operations

# Check for unsafe file operations
echo "Checking for potentially unsafe file operations..."
rg -n "os\.(open|makedirs|chmod|chown)" --type py

# Check for proper encoding handling
echo "Checking for potential encoding issues..."
rg -n "\.decode\(|\.encode\(" --type py

# Check for proper error handling in file operations
echo "Checking for file operation error handling..."
ast-grep --pattern 'try {
  $$$
  open($_, $_)
  $$$
}'

Length of output: 4167


Script:

#!/bin/bash
# Check for path sanitization
echo "Checking path handling..."
rg -n "os\.path\.(abspath|normpath|realpath)" --type py

# Check for directory traversal prevention
echo "Checking directory traversal prevention..."
rg -n "(\.\.\/|\.\.\\\\)" --type py

Length of output: 1443


Script:

#!/bin/bash
# Check for directory traversal patterns with proper escaping
echo "Checking directory traversal patterns..."
rg -n '\.\./' --type py

# Check for path joining operations
echo "Checking path joining methods..."
rg -n "os\.path\.join|Path\(" --type py -A 2

Length of output: 15039

@DanielYang59 DanielYang59 marked this pull request as draft December 20, 2024 02:38
@DanielYang59 DanielYang59 marked this pull request as ready for review December 20, 2024 02:53
@DanielYang59 DanielYang59 changed the title Fix collections.ControlledDict handling of Iterators via update method Fix collections.ControlledDict handling of Iterators via update method, fix Python version in test workflow and recover Windows in CI Dec 20, 2024
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