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Check out http://www.gromacs.org. */ %ModuleHeaderCode #include #include "gromacs/options/basicoptions.h" #include "gromacs/options/filenameoption.h" #include "gromacs/selection/selectionoption.h" #include #include class PyOptionsHolder { public: class DuplicateOption : public std::exception { public: virtual const char* what() const noexcept; }; gmx::DoubleOption doubleOption(const char*, double = 0); gmx::IntegerOption integerOption(const char*, int = 0); gmx::StringOption stringOption(const char*, const char* = 0); gmx::BooleanOption booleanOption(const char*, bool = 0); gmx::SelectionOption selectionOption(const char*); gmx::FileNameOption fileNameOption(const char*, const char* = 0); PyObject* get_value(const char*); // TODO: destructor (need to handle each type separately) // TODO: support for vector options private: struct option_value { void *value; const char *type; }; std::map storage; }; %End %ModuleCode #include "gromacs/utility/gmxassert.h" const char* PyOptionsHolder::DuplicateOption::what() const noexcept { return "This option is already defined"; } gmx::DoubleOption PyOptionsHolder::doubleOption(const char *name, double def) { if (storage.count(name)) throw DuplicateOption(); double *store = new double; *store = def; gmx::DoubleOption option(name); option.store(store); storage[name] = {store, "d"}; return option; } gmx::IntegerOption PyOptionsHolder::integerOption(const char *name, int def) { if (storage.count(name)) throw DuplicateOption(); int *store = new int; *store = def; gmx::IntegerOption option(name); option.store(store); storage[name] = {store, "i"}; return option; } gmx::StringOption PyOptionsHolder::stringOption(const char *name, const char* def) { if (storage.count(name)) throw DuplicateOption(); std::string *store = new std::string; *store = def; gmx::StringOption option(name); option.store(store); storage[name] = {store, "s"}; return option; } gmx::BooleanOption PyOptionsHolder::booleanOption(const char *name, bool def) { if (storage.count(name)) throw DuplicateOption(); bool *store = new bool; *store = def; gmx::BooleanOption option(name); option.store(store); storage[name] = {store, "b"}; return option; } gmx::SelectionOption PyOptionsHolder::selectionOption(const char *name) { if (storage.count(name)) throw DuplicateOption(); gmx::Selection *store = new gmx::Selection; gmx::SelectionOption option(name); option.store(store); storage[name] = {store, "S"}; return option; } gmx::FileNameOption PyOptionsHolder::fileNameOption(const char *name, const char* def) { if (storage.count(name)) throw DuplicateOption(); std::string *store = new std::string; gmx::FileNameOption option(name); option.store(store); option.defaultBasename(def); // Docs say to set default value like this storage[name] = {store, "f"}; return option; } PyObject* PyOptionsHolder::get_value(const char *name) { if (!storage.count(name)) return NULL; option_value v = storage[name]; switch (*v.type) { case 'd': // double return sipBuildResult(NULL, v.type, *((double*) v.value)); break; case 'i': // int return sipBuildResult(NULL, v.type, *((int*) v.value)); break; case 's': // std::string return sipBuildResult(NULL, v.type, ((std::string*) v.value)->data()); break; case 'b': // bool return sipBuildResult(NULL, v.type, *((bool*) v.value)); break; case 'S': // Selection return sipConvertFromType((gmx::Selection*) v.value, sipType_Selection, NULL); break; case 'f': // FileNameOption return sipBuildResult(NULL, "A", ((std::string*) v.value)->data()); break; } GMX_ASSERT(false, "Some type is not handled in PyOptionsHolder.get_value"); return NULL; } %End %Exception PyOptionsHolder::DuplicateOption { %RaiseCode SIP_BLOCK_THREADS; PyErr_SetString(PyExc_ValueError, sipExceptionRef.what()); SIP_UNBLOCK_THREADS; %End }; class PyOptionsHolder { %TypeHeaderCode #include "gromacs/options/basicoptions.h" %End public: DoubleOption doubleOption(const char *name, double def = 0) throw (PyOptionsHolder::DuplicateOption); IntegerOption integerOption(const char *name, int def = 0) throw (PyOptionsHolder::DuplicateOption); StringOption stringOption(const char *name, const char *def = 0) throw (PyOptionsHolder::DuplicateOption); BooleanOption booleanOption(const char *name, bool def = 0) throw (PyOptionsHolder::DuplicateOption); SelectionOption selectionOption(const char *name) throw (PyOptionsHolder::DuplicateOption); FileNameOption fileNameOption(const char *name, const char *def = 0) throw (PyOptionsHolder::DuplicateOption); SIP_PYOBJECT __getitem__(const char *name); %MethodCode sipRes = sipCpp->get_value(a0); if (!sipRes) { SIP_BLOCK_THREADS; PyErr_SetString(PyExc_KeyError, "Invalid option name"); SIP_UNBLOCK_THREADS; sipIsErr = 1; } %End };