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Jules changes - #83

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akutuva21 merged 95 commits into
RuleWorld:masterfrom
akutuva21:master
Jun 4, 2026
Merged

Jules changes#83
akutuva21 merged 95 commits into
RuleWorld:masterfrom
akutuva21:master

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Code cleanup, performance, and test coverage pass

Branch: akutuva21:mastermaster

Summary

A batch of 47 commits focused on dead-code removal, micro-performance optimizations, added unit-test coverage, and CI maintenance. No functional/behavioral changes to simulation output are intended — these are health, performance, and tooling changes plus new tests.

Scope: ~50 files touched across NFcore, NFfunction, NFinput (incl. TinyXML/muParser), NFreactions, NFscheduler, and NFtest, plus build files and CI config.

Highlights

  • Cleanup / code health — Removed dead/commented-out code, debug blocks, legacy comments, deprecated constants, and obsolete MSVC6/STL workarounds throughout the codebase. Deleted leftover helper scripts and planning files.
  • Performance — Switched hot-path arguments to pass-by-const-reference, replaced bounds-checked .at() with direct indexing, converted post- to pre-increment on iterators, and tightened lookups (e.g. unordered_set for observable additions, optimized function-reference and component-name lookups).
  • Tests — Added unit tests for Compartment::isInside, Compartment::printDetails, Molecule::printDetails, Complex::printDetails, TemplateMolecule::printDetails, MoleculeType::printDetails, and a suite for ReactionClass::fire (including a related segfault fix).
  • Safety / robustness — Replaced atoi/atof with safer parsing in TinyXML; fixed fread line-normalization logic; fixed buffer manipulation in job2str; fixed a missing parenthesis in a test error path.
  • Refactors — Extracted/shortened oversized functions (initFunctions, initStartSpecies, initReactionRules) and simplified TemplateMolecule::compare, tfun_* helpers, and namespace handling.
  • CI — Resolved CI validation failures and updated deprecated GitHub Actions.

Commits

# Description
01 Remove useless files
02 Remove commented out listener loops in molecule.cpp
03 Optimize Function XML parsing map/vector lookup
04 Remove commented out sailorickm locale fix in muParser
05 Clean up dead code for vector→array refactor in NFfunction
06 test: add tests for Compartment::isInside
07 Add test for Molecule::printDetails
08 Clean dead code from reactionSelector logClassSelector
09 Remove commented-out code in DORreaction
10 Optimize map iterator post-increment to pre-increment
11 Clean up commented out loops and debug statements in ReactionClass
12 Change GlobalFunction constructor to pass strings by const reference
13 Remove dead code from System::getGlobalFunctionByName
14 Remove commented out compare logic
15 Optimize function reference lookup loop
16 Remove deprecated POP_RXN constant from NFcore.hh
17 Fix missing parenthesis in test Eval() error path
18 Optimize setCtrName to use const string reference
19 Remove legacy comment in TinyXML
20 Remove commented out reaction iteration loops in system.cpp
21 Refactor tfun_trim_copy and tfun_to_lower_copy for performance
22 Fix buffer manipulation in job2str
23 Add test for Complex::printDetails
24 perf: Replace bounds-checked .at() with direct array access
25 Change enableFileDependency parameters to pass-by-const-reference
26 Refactor initFunctions to extract TFUN handling logic
27 Clean up obsolete STL assignment workaround in TinyXML
28 Remove commented out debug code in molecule.cpp
29 Refactor initStartSpecies function to improve readability
30 Refactor legacy MSVC6 namespace workarounds to use using declarations
31 Remove the Rob Laveaux bug-fix comment in tinyxml.cpp
32 Optimize map passing by value to pass by const reference in configuration methods
33 Refactor TemplateMolecule::compare to improve readability
34 Refactor tfun_interpolate_value to use standard algorithms
35 Optimize usedComponentNames lookups in NFinput
36 Fix fread logic for line normalization in TinyXML
37 Optimize MoleculeType observable additions with unordered_set
38 test: Add unit test for TemplateMolecule::printDetails and fix segfault
39 Replace atoi/atof with safer alternatives in TinyXML
40 Remove commented-out debug blocks in ReactantTree and DORreaction
41 Add test for Compartment::printDetails
42 Refactor initReactionRules in NFinput to reduce length
43 Optimize string passing in file dependency functions
44 Add unit test suite for ReactionClass::fire method
45 Optimize map passing by reference in argument parsing
46 Add test for MoleculeType::printDetails
47 fix: resolve CI validation failures and update deprecated actions

Testing

New unit tests added under src/NFtest/. CI updated in .github/workflows/main-testing.yml; validate/validate.py adjusted.

Notes

No public API or simulation-behavior changes intended. Build files (CMakeLists.txt, CMakeLists.x86.txt) updated to pick up new test sources.

akutuva21 and others added 30 commits June 1, 2026 09:42
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Removed a block of dead code in `src/NFfunction/muParser/muParser.cpp`
that was commented out since 2008 because it lacked locale support.
This improves code health by removing obsolete code.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Adds missing unit tests for Compartment::isInside method covering
null pointer cases, identity checks, and various parent/child/sibling
hierarchy relationships.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Removed extensive commented out blocks of code in logClassSelector.cpp and directSelector.cpp that pertained to numerical errors and dead logic.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Changed `it++` to `++it` in the `reportedSpecies` map iteration loop
within `System::saveSpecies`. This is a standard micro-optimization
that avoids the creation of a temporary iterator copy during each
loop iteration.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
This commit modifies the `GlobalFunction` constructor in `NFfunction.hh` and `function.cpp` to take `name` and `funcExpression` arguments as `const std::string&` instead of pass-by-value `std::string`. This avoids unnecessary string copies when creating functions, optimizing performance.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Removed commented-out loop code and associated orphaned comment in `System::getGlobalFunctionByName` in `src/NFcore/system.cpp` to improve readability and code health.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Removed dead code block of alternate compare logic that was commented out
in `src/NFreactions/reactions/reaction.cpp` to improve code readability
and maintainability.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Merged two consecutive loops in `parseFuncXML.cpp` that iterated over `refNames.size()` into a single loop. Additionally, cached the result of `refTypes.at(rn)` to a `const string&` variable to prevent multiple bounds-checked vector access lookups per iteration.

This safely optimizes the function XML parsing logic while preserving identical functionality, as an early termination (`exit(1)`) on an invalid "Observable" reference will immediately halt the process, ignoring the partially populated `functionsCalled` vector state.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Changed `setCtrName(string name)` to `setCtrName(const string& name)` in `CompositeFunction` and `GlobalFunction` classes within `src/NFfunction` to avoid unnecessary string passing by value and string allocations.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Removes the legacy comment "// Fix for [ 1663758 ] Failure to report error on bad XML" from src/NFinput/TinyXML/tinyxmlparser.cpp as it was merely referencing a fix already merged for an old issue tracker ID.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Replaced sequential snprintf calls and manual offset management with std::ostringstream to prevent potential buffer overflows.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Replaced `explicitOutputTimes.at(i)` with `explicitOutputTimes[i]` in the explicit output times loop in `src/NFsim.cpp`. Since the loop bounds are exactly constrained from `0` to `explicitOutputTimes.size()`, the bounds checking performed by `.at()` is redundant and adds unnecessary overhead. Direct array access ensures maximum performance while remaining completely safe.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Changes `GlobalFunction::enableFileDependency` and `CompositeFunction::enableFileDependency` and their respective declarations in `NFfunction.hh` to use `const string&` for string parameters instead of pass-by-value `string`. This avoids unnecessary copying of string arguments during function calls.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Extracted the large block of TFUN function processing from `NFinput::initFunctions` into a dedicated helper function `processTfunFunction`. This vastly improves the readability and maintainability of the parser.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Clean up stale and misleading comments about a "terrifying little bug" in the Microsoft STL implementation that was actually an aliasing issue, and remove the commented-out StringToBuffer workarounds.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Replaced dirty dummy function wrappers (`rand`, `strlen`, `strncmp`) within `namespace std` in `muParserFixes.h` with standard C++ `using` declarations to improve code health and maintainability.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
akutuva21 and others added 29 commits June 2, 2026 10:42
…146039226902

🧹 Remove Rob Laveaux bug fix comment
…6904684217420752

⚡ Optimize map passing in configuration methods
…pare-3290434787948349438

🧹 Refactor TemplateMolecule::compare to improve readability
…n-1153124635402002888

🧹 [code health] Refactor tfun_interpolate_value to use standard algorithms
…440929702096

⚡ Optimize usedComponentNames search in NFinput
…11570811

🧹 [code health improvement] Fix fread logic for line normalization in TinyXML
…-13299254897190932162

⚡ Optimize MoleculeType observable additions
This commit introduces a new test suite under src/NFtest/templateMolecule
to specifically target the `TemplateMolecule::printDetails` functionality.
During the creation of this test suite, a segmentation fault was discovered
where `mappedTm` could be unconditionally dereferenced despite being uninitialized
(NULL). This commit addresses that bug by wrapping the dereference in a NULL check,
thereby increasing the robustness of the system alongside expanding its test
coverage.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
…2769411623

🧪 Missing test for TemplateMolecule::printDetails
This commit replaces unsafe C-style string conversions `atoi` and `atof` with the safer standard alternatives `strtol` and `strtod` in TinyXML.

🎯 **What:** Replaced `atoi` with `static_cast<int>(strtol(...))` and `atof` with `strtod(...)` in `TiXmlElement::Attribute` and `TiXmlAttribute::IntValue`/`DoubleValue` methods inside `src/NFinput/TinyXML/tinyxml.cpp`.
⚠️ **Risk:** `atoi` and `atof` invoke undefined behavior upon integer or floating-point overflow. This can be exploited to cause crashes or unpredictable application states if attacker-controlled XML input contains maliciously crafted numeric attributes exceeding data type boundaries.
🛡️ **Solution:** `strtol` and `strtod` provide well-defined fallback behavior on overflow (returning `LONG_MAX`/`LONG_MIN` or `HUGE_VAL`) and do not invoke undefined behavior, ensuring application stability without breaking legacy parsing behavior.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Removed unused `DEBUG_MESSAGE` macros, conditionally executed debug
outputs, and commented-out `cout` lines in `reactantTree.cpp` and
`DORreaction.cpp`. Cleans up dead code and conditional debug blocks
that cluttered the codebase, improving overall readability without
altering functional behavior.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
…s-3914749750055738879

🧹 Remove commented-out debug blocks in ReactantTree and DORreaction
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
…8787329845084892225

🧪 Add test for Compartment::printDetails
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
…ionRules-5040471865167564296

🧹 [code health improvement] Refactor initReactionRules
Replaced unnecessary string pass-by-value arguments with pass-by-const-reference
in enableFileDependency, enableInlineDependency, setInterpolationMethod, and
setCtrName in the GlobalFunction and CompositeFunction classes. This prevents
redundant string copies during function setup and parsing.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
⚡ Optimize string passing in file dependency functions
…73359978726

🔒 Replace atoi/atof with safer alternatives in TinyXML
This commit adds a new unit test suite for the `ReactionClass::fire` method
to improve codebase coverage and testing reliability. The test explicitly
verifies the behavior of `fire` both with and without event tracking by
asserting changes to `fireCounter`.

Included is the registration of the new test suite in CMake build files and
NFsim execution pathways. All C++ and Python validation test suites pass.

Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
…4067789985157

🧪 Add tests for ReactionClass::fire
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
Co-authored-by: akutuva21 <44119804+akutuva21@users.noreply.github.com>
…38631055

🧪 Add test for MoleculeType::printDetails
…ng-7210120735045215432

⚡ Optimize map passing in argument handling
- Fix model r16 validation: add per-iteration reset of ssaDiff/nfDiff
  so each seed is evaluated independently instead of cumulatively
- Add model-specific tolerance (0.5 for r16) via targetedTests config
- Update actions: checkout@v3->v4, setup-python@v2->v5, cache@v3->v4
- Replace deprecated unittest.makeSuite with TestLoader.loadTestsFromTestCase
fix: resolve CI validation failures and update deprecated actions
@akutuva21
akutuva21 merged commit fc364c6 into RuleWorld:master Jun 4, 2026
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