SOF-7915: refactor espresso regex schemas#4
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| @@ -0,0 +1,89 @@ | |||
| _fingerprints: | |||
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We should keep the version
| fs.writeFileSync(path.resolve(filePath), JSON.stringify(schema) + "\n", "utf8"); | ||
| } | ||
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| export function interpolatePrimitives(schema: any, primitives: Record<string, string>): any { |
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We can have this in utils
pranabdas
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Jun 19, 2026
| @@ -1 +1 @@ | |||
| {"applications":{"espresso":{"5.2.1":{"pw.x":{"_fingerprints":[{"regex":"^&control","flags":["g","i"],"isRequired":true},{"regex":"^&electrons","flags":["g","i"],"isRequired":true}],"control":{"_format":{"namelist":{"regex":"(\\$|&){{BLOCK_NAME}}\\n(?:\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+)(?:\\n\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+))*)?\\s*\\/","flags":["g","m"],"params":{"BLOCK_NAME":["CONTROL","ELECTRONS","IONS","CELL","SYSTEM"]}}},"calculation":{"regex":"calculation\\s*=\\s*'([^']+)'","flags":["g","m","i"]},"title":{"regex":"title\\s*=\\s*'([^']+)'","flags":["g","m","i"]},"restart_mode":{"regex":"restart_mode\\s*=\\s*'([^']+)'","flags":["g","m","i"]}}}},"7.1":{"pw.x":{"_fingerprints":[{"regex":"^&control","flags":["g","i"],"isRequired":true},{"regex":"^&electrons","flags":["g","i"],"isRequired":true}],"control":{"_format":{"namelist":{"regex":"(\\$|&){{BLOCK_NAME}}\\n(?:\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+)(?:\\n\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+))*)?\\s*\\/","flags":["g","m"],"params":{"BLOCK_NAME":["CONTROL","ELECTRONS","IONS","CELL","SYSTEM"]}}},"calculation":{"regex":"...","flags":["g","m","i"]}}}}}}} | |||
| {"applications":{"espresso":{"5.2.1":{"pw.x":{"_fingerprints":[{"regex":"^&control","flags":["g","i"],"isRequired":true},{"regex":"^&electrons","flags":["g","i"],"isRequired":true}],"control":{"_format":{"namelist":{"regex":"(\\$|&)(CONTROL|ELECTRONS|IONS|CELL|SYSTEM)\\n(?:\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+)(?:\\n\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+))*)?\\s*\\/","flags":["g","m"],"params":{"BLOCK_NAME":["CONTROL","ELECTRONS","IONS","CELL","SYSTEM"]}}},"calculation":{"regex":"calculation\\s*=\\s*'([^']+)'","flags":["g","m","i"]},"title":{"regex":"title\\s*=\\s*'([^']+)'","flags":["g","m","i"]},"restart_mode":{"regex":"restart_mode\\s*=\\s*'([^']+)'","flags":["g","m","i"]}},"kv_pair":{"regex":"(\\w+)\\s*=\\s*([^,\\n/=]+)","flags":["g","i","m"]},"kv_pair_with_index":{"regex":"(\\w+)\\s*\\(\\s*(\\d+)\\s*\\)\\s*=\\s*([^,\\n/]+)","flags":["g","i","m"]},"namelist_block":{"regex":"&(CONTROL|SYSTEM|ELECTRONS|IONS|CELL|FCP|RISM)\\s*([\\s\\S]*?)\\/","flags":["i","m"],"params":{"BLOCK_NAME":["CONTROL","SYSTEM","ELECTRONS","IONS","CELL","FCP","RISM"]}},"cell_parameters_card":{"regex":"CELL_PARAMETERS\\s*[{(]?\\s*(alat|bohr|angstrom)?\\s*[)}]?\\s*\\n((?:[ \\t]*[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?[ \\t]+[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?[ \\t]+[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?[ \\t]*\\n?){3})","flags":["i"],"params":{"UNIT":["alat","bohr","angstrom"]}},"atomic_positions_card":{"regex":"ATOMIC_POSITIONS\\s*[{(]?\\s*(alat|bohr|angstrom|crystal|crystal_sg)?\\s*[)}]?\\s*\\n((?:[ \\t]*\\w+(?:[ \\t]+[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?){3}(?:(?:[ \\t]+[01]){3})?[ \\t]*\\n?)+)","flags":["i"],"params":{"UNIT":["alat","bohr","angstrom","crystal","crystal_sg"]}}}},"7.1":{"pw.x":{"_fingerprints":[{"regex":"^&control","flags":["g","i"],"isRequired":true},{"regex":"^&electrons","flags":["g","i"],"isRequired":true}],"control":{"_format":{"namelist":{"regex":"(\\$|&)(CONTROL|ELECTRONS|IONS|CELL|SYSTEM)\\n(?:\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+)(?:\\n\\s+[A-Za-z_]+\\s*=\\s*(?:['\"].*?['\"]|[^\\/\\n]+))*)?\\s*\\/","flags":["g","m"],"params":{"BLOCK_NAME":["CONTROL","ELECTRONS","IONS","CELL","SYSTEM"]}}},"calculation":{"regex":"calculation\\s*=\\s*'([^']+)'","flags":["g","m","i"]},"title":{"regex":"title\\s*=\\s*'([^']+)'","flags":["g","m","i"]},"restart_mode":{"regex":"restart_mode\\s*=\\s*'([^']+)'","flags":["g","m","i"]}},"kv_pair":{"regex":"(\\w+)\\s*=\\s*([^,\\n/=]+)","flags":["g","i","m"]},"kv_pair_with_index":{"regex":"(\\w+)\\s*\\(\\s*(\\d+)\\s*\\)\\s*=\\s*([^,\\n/]+)","flags":["g","i","m"]},"namelist_block":{"regex":"&(CONTROL|SYSTEM|ELECTRONS|IONS|CELL|FCP|RISM)\\s*([\\s\\S]*?)\\/","flags":["i","m"],"params":{"BLOCK_NAME":["CONTROL","SYSTEM","ELECTRONS","IONS","CELL","FCP","RISM"]}},"cell_parameters_card":{"regex":"CELL_PARAMETERS\\s*[{(]?\\s*(alat|bohr|angstrom)?\\s*[)}]?\\s*\\n((?:[ \\t]*[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?[ \\t]+[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?[ \\t]+[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?[ \\t]*\\n?){3})","flags":["i"],"params":{"UNIT":["alat","bohr","angstrom"]}},"atomic_positions_card":{"regex":"ATOMIC_POSITIONS\\s*[{(]?\\s*(alat|bohr|angstrom|crystal|crystal_sg)?\\s*[)}]?\\s*\\n((?:[ \\t]*\\w+(?:[ \\t]+[-+]?(?:\\d+\\.\\d*|\\.\\d+|\\d+)(?:[eEdD][-+]?\\d+)?){3}(?:(?:[ \\t]+[01]){3})?[ \\t]*\\n?)+)","flags":["i"],"params":{"UNIT":["alat","bohr","angstrom","crystal","crystal_sg"]}}}}}}} | |||
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Maybe this should be further nested under /applications/espresso/5.2.1/pw.x/stdin.
| # regex keys above cannot match these because '(' follows the name instead of '='. | ||
| kv_pair_with_index: | ||
| regex: '(\w+)\s*\(\s*(\d+)\s*\)\s*=\s*([^,\n/]+)' | ||
| flags: ["g", "i", "m"] |
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This and the above seem too generic to be included here
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