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38 #include "gromacs/options/basicoptions.h"
39 #include "gromacs/selection/selectionoption.h"
43 class PyOptionsHolder {
45 class DuplicateOption : public std::exception {
47 virtual const char* what() const noexcept;
49 gmx::DoubleOption doubleOption(const char*, double = 0);
50 gmx::IntegerOption integerOption(const char*, int = 0);
51 gmx::StringOption stringOption(const char*, const char* = 0);
52 gmx::BooleanOption booleanOption(const char*, bool = 0);
53 gmx::SelectionOption selectionOption(const char*);
54 PyObject* get_value(const char*);
55 // TODO: destructor (need to handle each type separately)
56 // TODO: support for vector options
62 std::map<std::string, option_value> storage;
67 #include "gromacs/utility/gmxassert.h"
69 const char* PyOptionsHolder::DuplicateOption::what() const noexcept {
70 return "This option is already defined";
73 gmx::DoubleOption PyOptionsHolder::doubleOption(const char *name, double def) {
74 if (storage.count(name))
75 throw DuplicateOption();
77 double *store = new double;
79 gmx::DoubleOption option(name);
81 storage[name] = {store, "d"};
86 gmx::IntegerOption PyOptionsHolder::integerOption(const char *name, int def) {
87 if (storage.count(name))
88 throw DuplicateOption();
92 gmx::IntegerOption option(name);
94 storage[name] = {store, "i"};
99 gmx::StringOption PyOptionsHolder::stringOption(const char *name, const char* def) {
100 if (storage.count(name))
101 throw DuplicateOption();
103 std::string *store = new std::string;
105 gmx::StringOption option(name);
107 storage[name] = {store, "s"};
112 gmx::BooleanOption PyOptionsHolder::booleanOption(const char *name, bool def) {
113 if (storage.count(name))
114 throw DuplicateOption();
116 bool *store = new bool;
118 gmx::BooleanOption option(name);
120 storage[name] = {store, "b"};
125 gmx::SelectionOption PyOptionsHolder::selectionOption(const char *name) {
126 if (storage.count(name))
127 throw DuplicateOption();
129 gmx::Selection *store = new gmx::Selection;
130 gmx::SelectionOption option(name);
133 storage[name] = {store, "S"};
138 PyObject* PyOptionsHolder::get_value(const char *name) {
139 if (!storage.count(name))
142 option_value v = storage[name];
145 return sipBuildResult(NULL, v.type, *((double*) v.value));
148 return sipBuildResult(NULL, v.type, *((int*) v.value));
150 case 's': // std::string
151 return sipBuildResult(NULL, v.type, ((std::string*) v.value)->data());
154 return sipBuildResult(NULL, v.type, *((bool*) v.value));
156 case 'S': // Selection
157 return sipConvertFromType((gmx::Selection*) v.value, sipType_Selection, NULL);
161 GMX_ASSERT(false, "Some type is not handled in PyOptionsHolder.get_value");
166 %Exception PyOptionsHolder::DuplicateOption {
169 PyErr_SetString(PyExc_ValueError, sipExceptionRef.what());
174 class PyOptionsHolder {
176 #include "gromacs/options/basicoptions.h"
180 DoubleOption doubleOption(const char *name, double def = 0) throw (PyOptionsHolder::DuplicateOption);
181 IntegerOption integerOption(const char *name, int def = 0) throw (PyOptionsHolder::DuplicateOption);
182 StringOption stringOption(const char *name, const char *def = 0) throw (PyOptionsHolder::DuplicateOption);
183 BooleanOption booleanOption(const char *name, bool def = 0) throw (PyOptionsHolder::DuplicateOption);
184 SelectionOption selectionOption(const char *name) throw (PyOptionsHolder::DuplicateOption);
185 SIP_PYOBJECT __getitem__(const char *name);
187 sipRes = sipCpp->get_value(a0);
191 PyErr_SetString(PyExc_KeyError, "Invalid option name");