/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2014, by the GROMACS development team, led by
+ * Copyright (c) 2014,2015, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
public:
class DuplicateOption : public std::exception {
public:
- virtual const char* what() const noexcept;
+ virtual const char* what() const throw();
};
class StringList {
public:
size_t size;
const std::vector<std::string> *vector;
};
- gmx::DoubleOption doubleOption(const char*, size_t = 1, double = 0);
- gmx::IntegerOption integerOption(const char*, size_t = 1, int = 0);
- gmx::StringOption stringOption(const char*, size_t = 1, const char* = "");
+ gmx::DoubleOption doubleOption(const char*, size_t = 1, double* = NULL);
+ gmx::IntegerOption integerOption(const char*, size_t = 1, int* = NULL);
+ gmx::StringOption stringOption(const char*, size_t = 1, const char* = NULL);
gmx::BooleanOption booleanOption(const char*, size_t = 1, bool = 0);
gmx::SelectionOption selectionOption(const char*, size_t = 1);
- gmx::FileNameOption fileNameOption(const char*, size_t = 1, const char* = 0);
+ gmx::FileNameOption fileNameOption(const char*, size_t = 1);
PyObject* get_value(const char*);
~PyOptionsHolder();
private:
const char *type;
int *count;
bool vector;
+ const char *name;
};
std::map<std::string, option_value> storage;
- template<typename T, typename U> option_value createStorage(gmx::OptionTemplate<T, U>&, const char*, int);
+ template<typename T, typename U> U createStorage(const char*, const char*, int, const T* = 0);
template<typename T> PyObject* buildValue(const char*, const option_value&, const sipTypeDef* = NULL, size_t = 0);
template<typename T> void deleteStorage(const option_value&);
};
%ModuleCode
#include "gromacs/utility/gmxassert.h"
-const char* PyOptionsHolder::DuplicateOption::what() const noexcept {
+const char* PyOptionsHolder::DuplicateOption::what() const throw() {
return "This option is already defined";
}
return vector ? (*vector)[i].data() : list[i].data();
}
-template<typename T, typename U> PyOptionsHolder::option_value PyOptionsHolder::createStorage(gmx::OptionTemplate<T, U> &option, const char *type, int count) {
+template<typename T, typename U> U PyOptionsHolder::createStorage(const char *name, const char *type, int count, const T *def) {
+ if (storage.count(name))
+ throw DuplicateOption();
+
+ U option(name);
+
+ option_value value;
+ value.type = type;
+ value.count = new int;
+ value.name = name;
+
if (count == 0) { // std::vector of values
- auto *store = new std::vector<T>();
+ std::vector<T> *store = new std::vector<T>();
option.storeVector(store);
option.multiValue();
+ option.storeCount(value.count);
- auto *count = new int;
- option.storeCount(count);
+ *value.count = 0;
+ if (def) {
+ store->push_back(*def);
+ *value.count = 1;
+ }
- return { store, type, count, true };
+ value.value = store;
+ value.vector = true;
} else { // exactly `count` values
- auto *store = new T[count];
+ T *store = new T[count];
+ if (def)
+ store[0] = *def;
+
option.store(store);
if (count > 1)
option.valueCount(count);
- auto *count = new int;
- option.storeCount(count);
-
- return { store, type, count, false };
+ value.value = store;
+ value.vector = false;
+ *value.count = count;
}
-}
-gmx::DoubleOption PyOptionsHolder::doubleOption(const char *name, size_t count, double def) {
- if (storage.count(name))
- throw DuplicateOption();
+ storage[name] = value;
+ return option;
+}
- gmx::DoubleOption option(name);
- storage[name] = createStorage(option, "d", count);
+gmx::DoubleOption PyOptionsHolder::doubleOption(const char *name, size_t count, double *def) {
+ gmx::DoubleOption option = createStorage<double, gmx::DoubleOption>(name, "d", count, def);
return option;
}
-gmx::IntegerOption PyOptionsHolder::integerOption(const char *name, size_t count, int def) {
- if (storage.count(name))
- throw DuplicateOption();
-
- gmx::IntegerOption option(name);
- storage[name] = createStorage(option, "i", count);
+gmx::IntegerOption PyOptionsHolder::integerOption(const char *name, size_t count, int *def) {
+ gmx::IntegerOption option = createStorage<int, gmx::IntegerOption>(name, "i", count, def);
return option;
}
gmx::StringOption PyOptionsHolder::stringOption(const char *name, size_t count, const char* def) {
- if (storage.count(name))
- throw DuplicateOption();
+ std::string *s_def = NULL;
+ if (def)
+ s_def = new std::string(def);
- gmx::StringOption option(name);
- storage[name] = createStorage(option, "A", count);
- // FIXME: following does not work
- //option.defaultValue(std::string(def));
+ gmx::StringOption option = createStorage<std::string, gmx::StringOption>(name, "A", count, s_def);
+ delete s_def;
return option;
}
+// FIXME: Unify with the rest
gmx::BooleanOption PyOptionsHolder::booleanOption(const char *name, size_t count, bool def) {
if (storage.count(name))
throw DuplicateOption();
*store = def;
gmx::BooleanOption option(name);
option.store(store);
- storage[name] = {store, "b"};
+ option_value value = {store, "b"};
+ storage[name] = value;
return option;
}
gmx::SelectionOption PyOptionsHolder::selectionOption(const char *name, size_t count) {
- if (storage.count(name))
- throw DuplicateOption();
-
- gmx::SelectionOption option(name);
- storage[name] = createStorage(option, "S", count);
+ gmx::SelectionOption option = createStorage<gmx::Selection, gmx::SelectionOption>(name, "S", count);
return option;
}
-gmx::FileNameOption PyOptionsHolder::fileNameOption(const char *name, size_t count, const char* def) {
- if (storage.count(name))
- throw DuplicateOption();
-
- gmx::FileNameOption option(name);
- storage[name] = createStorage(option, "f", count);
- option.defaultBasename(def); // Docs say to set default value like this
+gmx::FileNameOption PyOptionsHolder::fileNameOption(const char *name, size_t count) {
+ gmx::FileNameOption option = createStorage<std::string, gmx::FileNameOption>(name, "f", count);
return option;
}
}
PyOptionsHolder::~PyOptionsHolder() {
- for (auto e : storage)
- switch (*e.second.type) {
+ for (std::map<std::string, option_value>::iterator it = storage.begin(); it != storage.end(); it++)
+ switch (*(it->second.type)) {
case 'd': // double
- deleteStorage<double>(e.second);
+ deleteStorage<double>(it->second);
break;
case 'i': // int
- deleteStorage<int>(e.second);
+ deleteStorage<int>(it->second);
break;
case 'A': // std::string
case 'f': // FileNameOption (the storage type is still std::string)
- deleteStorage<std::string>(e.second);
+ deleteStorage<std::string>(it->second);
break;
case 'b': // bool
- delete (bool*) e.second.value;
+ delete (bool*) it->second.value;
break;
case 'S': // Selection
- deleteStorage<gmx::Selection>(e.second);
+ deleteStorage<gmx::Selection>(it->second);
break;
}
}
}
%End
};
- DoubleOption doubleOption(const char *name, int count = 1, double def = 0) throw (PyOptionsHolder::DuplicateOption);
- IntegerOption integerOption(const char *name, int count = 1, int def = 0) throw (PyOptionsHolder::DuplicateOption);
- StringOption stringOption(const char *name, int count = 1, const char *def = 0) throw (PyOptionsHolder::DuplicateOption);
- BooleanOption booleanOption(const char *name, int count = 1, bool def = 0) throw (PyOptionsHolder::DuplicateOption);
- SelectionOption selectionOption(const char *name, int count = 1) throw (PyOptionsHolder::DuplicateOption);
- FileNameOption fileNameOption(const char *name, int count = 1, const char *def = 0) throw (PyOptionsHolder::DuplicateOption);
+ // These methods are given twice to workaround sip setting 0 for when '*def = NULL' option is not given
+ DoubleOption doubleOption(const char *name /KeepReference/, int count = 1) throw (PyOptionsHolder::DuplicateOption);
+ DoubleOption doubleOption(const char *name /KeepReference/, int count, const double *def) throw (PyOptionsHolder::DuplicateOption);
+
+ IntegerOption integerOption(const char *name /KeepReference/, int count = 1) throw (PyOptionsHolder::DuplicateOption);
+ IntegerOption integerOption(const char *name /KeepReference/, int count, const int *def) throw (PyOptionsHolder::DuplicateOption);
+
+ StringOption stringOption(const char *name /KeepReference/, int count = 1) throw (PyOptionsHolder::DuplicateOption);
+ StringOption stringOption(const char *name /KeepReference/, int count, const char *def) throw (PyOptionsHolder::DuplicateOption);
+
+ BooleanOption booleanOption(const char *name /KeepReference/, int count = 1, bool def = 0) throw (PyOptionsHolder::DuplicateOption);
+
+ SelectionOption selectionOption(const char *name /KeepReference/, int count = 1) throw (PyOptionsHolder::DuplicateOption);
+
+ FileNameOption fileNameOption(const char *name /KeepReference/, int count = 1) throw (PyOptionsHolder::DuplicateOption);
SIP_PYOBJECT __getitem__(const char *name);
%MethodCode
sipRes = sipCpp->get_value(a0);
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff