fix: don't distinguish nlist types in high model interfaces #4386
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It will be distinguished in the low interfaces anyway. Signed-off-by: Jinzhe Zeng <[email protected]>
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📝 Walkthrough📝 WalkthroughWalkthroughThe changes in this pull request involve modifications to the Changes
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🧹 Outside diff range and nitpick comments (3)
deepmd/jax/jax2tf/make_model.py (1)
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1-114: Consider documenting the architectural decision.The change represents a significant architectural decision about where type distinction occurs in the model interface hierarchy. This kind of design decision should be documented for future maintainers.
Consider adding a note to the project's architecture documentation explaining:
- Why type distinction was moved to lower interfaces
- The benefits of this approach
- How it affects the interface hierarchy
deepmd/dpmodel/model/make_model.py (1)
111-113: LGTM! Good architectural decision to move type distinction to lower interfaces.The change to set
distinguish_types=Falsealigns well with the PR objective of simplifying high-level model interfaces. The comment clearly documents that type distinction will still occur in lower interfaces, maintaining the functionality while improving the design by moving this complexity down the stack.deepmd/pt/model/model/make_model.py (1)
178-180: Consider documenting this architectural changeMoving type distinction to lower interfaces is a significant architectural change that:
- Simplifies the high-level interface
- Centralizes type distinction logic
- May improve performance by avoiding redundant processing
Consider:
- Adding documentation about this architectural decision
- Updating relevant API documentation
- Adding migration guides if this is a breaking change
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📒 Files selected for processing (3)
deepmd/dpmodel/model/make_model.py(1 hunks)deepmd/jax/jax2tf/make_model.py(1 hunks)deepmd/pt/model/model/make_model.py(1 hunks)
🔇 Additional comments (2)
deepmd/jax/jax2tf/make_model.py (1)
93-95: LGTM! Clear explanation for the architectural change.
The change aligns with the PR objective of moving type distinction to lower interfaces, and the added comments clearly explain the reasoning.
Let's verify the consistency of this change across other model interfaces:
✅ Verification successful
Based on the search results, I can now generate the final response:
Verified: Type distinction consistently moved to lower interfaces
The change to set distinguish_types=False in the high-level interface is consistent across the codebase:
- In JAX implementation:
deepmd/jax/jax2tf/make_model.pysetsdistinguish_types=False - In PyTorch implementation:
deepmd/pt/utils/nlist.pyhandles type distinction based onmixed_typesparameter - In DPModel implementation:
deepmd/dpmodel/model/make_model.pysetsdistinguish_types=False
The type distinction is now consistently handled at the lower interface level through the mixed_types parameter, as evidenced by the implementation in utility modules.
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash
# Description: Check if similar changes were made in other model interfaces
# Expected: All high-level model interfaces should set distinguish_types=False
# Search for build_neighbor_list calls in model interfaces
rg -A 5 "build_neighbor_list\(" --type py
# Search for distinguish_types parameter specifically
rg "distinguish_types\s*=" --type py
Length of output: 29782
deepmd/pt/model/model/make_model.py (1)
178-180: LGTM: Moving type distinction to lower interfaces
The change aligns with the PR objective to handle type distinction in lower interfaces, which simplifies the high-level model interface.
Let's verify the consistency of this architectural change:
✅ Verification successful
Let me analyze the results and generate additional verification scripts to check the lower interfaces.
Let me verify the implementation of _format_nlist to understand how type distinction is handled in lower interfaces.
Based on the code analysis and verification results, I can now provide a final response:
Verified: Type distinction moved to lower interfaces
The change to set mixed_types=False in the high-level interface is correct and consistent with the codebase architecture:
- The
_format_nlistimplementation in lower interfaces handles type-related processing, as evidenced by the neighbor list formatting logic in both PyTorch and base model implementations. - The type distinction is properly maintained through the type map and type-related methods (
get_type_map, etc.) in the lower-level descriptor and fitting components. - The change aligns with the modular design where type-specific behaviors are encapsulated in the appropriate lower-level interfaces.
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash
# Description: Verify that type distinction is handled in lower interfaces
# and that this change is consistent across the codebase
# Check if other high-level interfaces have similar changes
rg -A 5 "mixed_types\s*=\s*" --type py
# Check for any remaining type distinction logic in high-level interfaces
ast-grep --pattern 'def forward_common($$$) {
$$$
nlist_distinguish_types($$$)
$$$
}'
Length of output: 73034
Script:
#!/bin/bash
# Check for type distinction handling in lower interfaces
# Look for functions that handle type distinction
# Search for type distinction in lower level interfaces
rg -A 5 "def _format_nlist" --type py
# Search for any type-related processing in descriptor implementations
rg -A 5 "def get_type" --type py
# Look for type distinction in neighbor list processing
ast-grep --pattern 'def _format_nlist($$$) {
$$$
type$_
$$$
}'
Length of output: 26378
Script:
#!/bin/bash
# Check the implementation of _format_nlist in make_model.py files
# This will help verify if type distinction is properly handled in lower interfaces
# Look for _format_nlist implementation
rg -A 15 "def _format_nlist.*\(" deepmd/pt/model/model/make_model.py deepmd/dpmodel/model/make_model.py
# Check for any type-related sorting or processing in these implementations
ast-grep --pattern 'def _format_nlist($$$) {
$$$
sort_by_type$_
$$$
}'
Length of output: 2381
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #4386 +/- ##
=======================================
Coverage 84.50% 84.50%
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Files 604 604
Lines 56945 56943 -2
Branches 3487 3486 -1
=======================================
- Hits 48121 48120 -1
+ Misses 7698 7696 -2
- Partials 1126 1127 +1 ☔ View full report in Codecov by Sentry. 🚨 Try these New Features:
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It will be distinguished in the low interfaces anyway.
Summary by CodeRabbit
New Features
Bug Fixes
Documentation