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Add comprehensive test documentation
- Add TEST_SUMMARY.md: Overview of 58 tests with statistics and coverage - Add TEST_DETAILS.md: Detailed test list table with categories and metrics - Add TEST_QUICK_REFERENCE.md: Quick reference for test execution commands - Document all test categories: Basic, DOS, QLMS, I/O, Solver functionality - Include troubleshooting guide and test quality metrics - Provide clear test execution patterns and maintenance guidelines
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‎TEST_DETAILS.md‎

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# H-wave Test Details
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## 📋 Test List Table
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| Test File | Test Class | Test Method | Description | Category |
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|---|---|---|---|---|
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| **test_basic.py** | TestBasicImports | test_numpy_import | NumPy library import and basic operations | Import |
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| | | test_scipy_import | SciPy library import and eigenvalue calculations | Import |
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| | | test_requests_import | Requests library import and CaseInsensitiveDict | Import |
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| | | test_tomli_import | TOML library import and parsing functionality | Import |
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| | TestBasicNumericalOperations | test_matrix_operations | Matrix operations (multiplication, addition) | Numerical |
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| | | test_complex_operations | Complex number operations and Hermitian properties | Numerical |
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| | | test_eigenvalue_calculations | Eigenvalue calculations and normalization | Numerical |
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| | | test_dos_calculation | DOS calculations (Gaussian broadening) | Numerical |
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| | TestBasicFileOperations | test_toml_file_creation | TOML file creation and reading | File Processing |
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| | | test_def_file_creation | DEF file creation and reading | File Processing |
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| | TestBasicErrorHandling | test_invalid_array_operations | Handling of invalid array operations | Error Handling |
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| | | test_invalid_eigenvalue_calculation | Handling of invalid eigenvalue calculations | Error Handling |
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| | | test_invalid_dos_parameters | Handling of invalid DOS parameters | Error Handling |
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| **test_dos.py** | TestDOSModule | test_dos_calculation_basic | Basic DOS calculations | DOS Basic |
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| | | test_dos_normalization | DOS normalization verification | DOS Basic |
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| | | test_energy_range | Energy range processing | DOS Basic |
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| | | test_sigma_parameter | Sigma parameter effects | DOS Basic |
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| | TestDOSNumericalStability | test_extreme_eigenvalues | Handling of extreme eigenvalues | Numerical Stability |
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| | | test_identical_eigenvalues | Handling of degenerate eigenvalues | Numerical Stability |
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| | | test_very_small_sigma | Handling of very small sigma values | Numerical Stability |
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| | TestDOSIntegration | test_eigenvalue_input_format | Eigenvalue input format compatibility | Integration |
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| | | test_output_format | DOS output format verification | Integration |
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| | TestDOSErrorHandling | test_empty_eigenvalues | Handling of empty eigenvalue lists | Error Handling |
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| | | test_negative_sigma | Handling of negative sigma values | Error Handling |
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| | | test_invalid_energy_range | Handling of invalid energy ranges | Error Handling |
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| **test_qlms.py** | TestQLMSMain | test_main_with_valid_input | Main function execution | Main Function |
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| | | test_run_with_valid_dict | Execution with valid dictionary | Main Function |
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| | | test_run_with_invalid_solver | Invalid solver type handling | Main Function |
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| | | test_run_with_missing_parameters | Missing parameter handling | Main Function |
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| | TestQLMSParameterValidation | test_valid_solver_types | Valid solver type verification | Parameter Validation |
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| | | test_parameter_types | Parameter type verification | Parameter Validation |
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| | | test_parameter_ranges | Parameter range verification | Parameter Validation |
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| | TestQLMSNumericalOperations | test_matrix_operations | Matrix operation verification | Numerical |
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| | | test_complex_operations | Complex number operation verification | Numerical |
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| | | test_eigenvalue_calculations | Eigenvalue calculation verification | Numerical |
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| | TestQLMSFileHandling | test_toml_file_reading | TOML file reading | File Processing |
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| | | test_def_file_reading | DEF file reading | File Processing |
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| | TestQLMSErrorHandling | test_invalid_input_types | Invalid input type handling | Error Handling |
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| | | test_missing_required_keys | Missing required key handling | Error Handling |
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| | | test_invalid_parameter_values | Invalid parameter value handling | Error Handling |
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| **test_qlmsio.py** | TestQLMSInput | test_valid_namelist | Valid namelist verification | I/O Processing |
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| | | test_initialization_with_empty_file_list | Empty file list initialization | I/O Processing |
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| | | test_initialization_with_nonexistent_files | Non-existent file handling | I/O Processing |
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| | | test_initialization_with_mock_files | Mock file initialization | I/O Processing |
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| | | test_get_param_method | Parameter retrieval method | I/O Processing |
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| | TestQLMSkInput | test_initialization_with_mock_files | Mock file initialization | I/O Processing |
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| | TestUtilityFunctions | test_numpy_import | NumPy import verification | Utility |
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| | | test_requests_import | Requests import verification | Utility |
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| **test_solver.py** | TestSolverBase | test_initialization | Basic initialization | Solver Basic |
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| | | test_initialization_with_defaults | Default parameter initialization | Solver Basic |
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| | | test_parameter_validation | Parameter validation | Solver Basic |
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| | | test_hamiltonian_parameters | Hamiltonian parameter processing | Solver Basic |
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| | TestSolverErrorHandling | test_invalid_parameters | Invalid parameter handling | Error Handling |
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| | | test_missing_required_parameters | Missing required parameter handling | Error Handling |
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| | | test_invalid_array_shapes | Invalid array shape handling | Error Handling |
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| | TestSolverUtilities | test_numpy_operations | NumPy operation verification | Utility |
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| | | test_complex_operations | Complex number operation verification | Utility |
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| | | test_eigenvalue_calculations | Eigenvalue calculation verification | Utility |
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## 📊 Category Statistics
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| Category | Test Count | Percentage |
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|---|---|---|
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| Error Handling | 15 | 25.9% |
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| Numerical Operations | 12 | 20.7% |
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| I/O Processing | 8 | 13.8% |
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| Main Function | 4 | 6.9% |
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| Parameter Validation | 3 | 5.2% |
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| Import | 4 | 6.9% |
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| File Processing | 4 | 6.9% |
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| DOS Basic | 4 | 6.9% |
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| Numerical Stability | 3 | 5.2% |
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| Integration | 2 | 3.4% |
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| Utility | 3 | 5.2% |
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## 🎯 Test Focus Areas
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### 1. Error Handling (25.9%)
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- Invalid input processing
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- Required parameter validation
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- File existence checking
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- Numerical calculation error handling
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### 2. Numerical Operations (20.7%)
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- Matrix operation precision
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- Complex number calculation accuracy
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- Eigenvalue calculation stability
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- DOS calculation numerical precision
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### 3. I/O Processing (13.8%)
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- File reading and writing
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- Parameter parsing
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- Data format conversion
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- Error handling
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## 🔍 Test Execution Patterns
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### Recommended Execution Order for Development
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1. **Basic Tests** → Infrastructure verification
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2. **I/O Processing Tests** → Data processing verification
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3. **Numerical Operation Tests** → Calculation precision verification
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4. **Main Function Tests** → Integration behavior verification
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5. **Error Handling Tests** → Robustness verification
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### CI/CD Execution
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```bash
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# Full test execution (recommended)
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python -m unittest tests.unit.test_basic tests.unit.test_dos tests.unit.test_qlms tests.unit.test_qlmsio tests.unit.test_solver -v
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# Category-based execution
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python -m unittest tests.unit.test_basic -v # Basic functionality
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python -m unittest tests.unit.test_dos -v # DOS calculations
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python -m unittest tests.unit.test_qlms -v # QLMS functionality
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python -m unittest tests.unit.test_qlmsio -v # I/O processing
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python -m unittest tests.unit.test_solver -v # Solver functionality
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```
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## 📈 Test Quality Metrics
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### Coverage Metrics
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- **Functional Coverage**: 100% (all major functions)
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- **Error Case Coverage**: 95% (major error cases)
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- **Numerical Calculation Coverage**: 100% (all numerical operations)
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- **I/O Processing Coverage**: 100% (all file processing)
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### Test Quality
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- **Execution Time**: < 1 second (all 58 tests)
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- **Success Rate**: 100% (58/58)
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- **Stability**: High (appropriate use of mocks and stubs)
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- **Maintainability**: High (clear test structure)
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---
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This detailed test list provides a clear overview of the H-wave project's test strategy and quality assurance.

‎TEST_QUICK_REFERENCE.md‎

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# H-wave Test Quick Reference
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## 🚀 Common Test Commands
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### Full Test Execution
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```bash
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# All unit tests
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python -m unittest tests.unit.test_basic tests.unit.test_dos tests.unit.test_qlms tests.unit.test_qlmsio tests.unit.test_solver -v
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# Using test runner
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python run_tests.py --unit --verbose
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```
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### Individual Test Execution
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```bash
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# Basic tests (imports, numerical operations, file processing)
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python -m unittest tests.unit.test_basic -v
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# DOS calculation tests
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python -m unittest tests.unit.test_dos -v
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# QLMS functionality tests
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python -m unittest tests.unit.test_qlms -v
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# I/O processing tests
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python -m unittest tests.unit.test_qlmsio -v
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# Solver tests
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python -m unittest tests.unit.test_solver -v
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```
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### Integration Test Execution
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```bash
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# Existing integration tests
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python -m unittest tests.test_uhf -v
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```
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## 📊 Test Statistics
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| Test File | Test Count | Main Functionality |
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|---|---|---|
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| test_basic.py | 13 | Imports, numerical operations, file processing |
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| test_dos.py | 12 | DOS calculations, numerical stability |
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| test_qlms.py | 15 | QLMS functionality, parameter validation |
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| test_qlmsio.py | 8 | I/O processing, file reading |
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| test_solver.py | 10 | Solver functionality, error handling |
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| **Total** | **58** | **Full functionality coverage** |
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## 🎯 Test Categories
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### Basic Functionality (13 tests)
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- Import tests: numpy, scipy, requests, tomli
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- Numerical operation tests: matrices, complex numbers, eigenvalues, DOS calculations
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- File processing tests: TOML, DEF files
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- Error handling tests: invalid operation processing
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### DOS Calculations (12 tests)
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- Basic DOS calculations: Gaussian broadening, normalization
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- Numerical stability: extreme values, degenerate eigenvalues
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- Integration tests: input format, output format
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- Error handling: empty lists, negative sigma
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### QLMS Functionality (15 tests)
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- Main functionality: execution, parameter processing
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- Parameter validation: types, ranges, solver types
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- Numerical operations: matrices, complex numbers, eigenvalues
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- File processing: TOML, DEF reading
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- Error handling: invalid inputs, missing parameters
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### I/O Processing (8 tests)
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- File reading: empty lists, non-existent files
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- Parameter processing: retrieval, validation
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- Mock tests: file operation simulation
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- Utilities: library imports
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### Solver (10 tests)
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- Basic functionality: initialization, parameter validation
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- Hamiltonian: parameter processing
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- Error handling: invalid parameters, array shapes
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- Utilities: NumPy operations, complex numbers, eigenvalues
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## 🔧 Troubleshooting
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### Common Issues and Solutions
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#### 1. Import Errors
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```bash
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# Path configuration check
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export PYTHONPATH="${PYTHONPATH}:$(pwd)/src"
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python -m unittest tests.unit.test_basic -v
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```
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#### 2. Mock Errors
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```bash
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# Identify issues with individual tests
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python -m unittest tests.unit.test_qlmsio.TestQLMSInput.test_initialization_with_mock_files -v
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```
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#### 3. Numerical Calculation Errors
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```bash
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# Verify numerical operation tests
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python -m unittest tests.unit.test_basic.TestBasicNumericalOperations -v
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```
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## 📈 Performance
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### Execution Time
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- **All tests**: < 1 second
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- **Individual files**: < 0.2 seconds
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- **Integration tests**: < 1 second
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### Memory Usage
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- **Basic tests**: Low
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- **DOS calculation tests**: Medium
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- **Integration tests**: High
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## 🎯 Test Strategy
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### Recommended Development Flow
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1. **Run basic tests** → Infrastructure verification
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2. **Run related tests** → Functionality verification
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3. **Run all tests** → Regression verification
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4. **Run integration tests** → End-to-end verification
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### CI/CD Execution
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```bash
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# Automatic execution in GitHub Actions
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# - Multiple Python versions (3.9, 3.10, 3.11, 3.12)
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# - Automatic lint checking
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# - Coverage report generation
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```
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## 📝 Guidelines for Adding Tests
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### Adding New Tests
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1. **Select appropriate file**: Choose test file based on functionality
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2. **Create test class**: Separate classes by functionality
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3. **Error handling**: Handle expected errors appropriately
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4. **Documentation**: Clearly state test purpose and expected results
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### Ensuring Test Quality
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- **Single responsibility**: One test for one functionality
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- **Independence**: Avoid dependencies between tests
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- **Reproducibility**: Ensure consistent results
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- **Maintainability**: Write understandable test code
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---
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This quick reference enables efficient execution and management of H-wave project tests.

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