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38 #include "gromacs/options/basicoptions.h"
42 class PyOptionsHolder {
44 class DuplicateOption : public std::exception {
46 virtual const char* what() const noexcept;
48 gmx::DoubleOption doubleOption(const char*, double = 0);
49 PyObject* get_value(const char*);
50 // TODO: destructor (need to handle each type separately)
51 // TODO: support for vector options
57 std::map<std::string, option_value> storage;
62 #include "gromacs/utility/gmxassert.h"
64 const char* PyOptionsHolder::DuplicateOption::what() const noexcept {
65 return "This option is already defined";
68 gmx::DoubleOption PyOptionsHolder::doubleOption(const char *name, double def) {
69 if (storage.count(name))
70 throw DuplicateOption();
72 double *store = new double;
74 gmx::DoubleOption option(name);
76 storage[name] = {store, "d"};
81 PyObject* PyOptionsHolder::get_value(const char *name) {
82 if (!storage.count(name))
85 option_value v = storage[name];
88 return sipBuildResult(NULL, v.type, *((double*) v.value));
92 GMX_ASSERT(false, "Some type is not handled in PyOptionsHolder.get_value");
97 %Exception PyOptionsHolder::DuplicateOption {
100 PyErr_SetString(PyExc_ValueError, sipExceptionRef.what());
105 class PyOptionsHolder {
107 #include "gromacs/options/basicoptions.h"
111 DoubleOption doubleOption(const char *name, double def = 0) throw (PyOptionsHolder::DuplicateOption);
112 SIP_PYOBJECT __getitem__(const char *name);
114 sipRes = sipCpp->get_value(a0);
118 PyErr_SetString(PyExc_KeyError, "Invalid option name");