mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 19:53:45 +01:00
237 lines
9.8 KiB
C++
237 lines
9.8 KiB
C++
/*******************************************************************************
|
|
*
|
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
|
*
|
|
* Copyright (C) 2014 by H. Hafermann, O. Parcollet
|
|
*
|
|
* TRIQS is free software: you can redistribute it and/or modify it under the
|
|
* terms of the GNU General Public License as published by the Free Software
|
|
* Foundation, either version 3 of the License, or (at your option) any later
|
|
* version.
|
|
*
|
|
* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
|
|
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
|
|
* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
|
|
* details.
|
|
*
|
|
* You should have received a copy of the GNU General Public License along with
|
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
|
*
|
|
******************************************************************************/
|
|
#pragma once
|
|
#include <triqs/arrays.hpp>
|
|
#ifdef TRIQS_WITH_PYTHON_SUPPORT
|
|
#include <triqs/python_tools/wrapper_tools.hpp>
|
|
#endif
|
|
#include <string>
|
|
#include <complex>
|
|
#include <memory>
|
|
#include <map>
|
|
#include <typeindex>
|
|
#include <boost/preprocessor/seq/for_each.hpp>
|
|
// serialization will use hdf5 with a failsafe to boost for old hdf5 libs.
|
|
#include <triqs/utility/serialization.hpp>
|
|
|
|
namespace triqs {
|
|
namespace params {
|
|
|
|
using triqs::get_triqs_hdf5_data_scheme; // bring it into name resolution
|
|
|
|
template <typename T> std::ostream &operator<<(std::ostream &out, std::vector<T> const &v) {
|
|
out << "[";
|
|
int c = 0;
|
|
for (auto const &x : v) out << (c++ ? ", " : "") << x;
|
|
return out << "]";
|
|
}
|
|
|
|
// All the predefined cast of _field
|
|
#define TRIQS_UTIL_OPAQUE_OBJECT_PREDEFINED_CAST \
|
|
(int)(long)(long long)(unsigned int)(unsigned long)(unsigned long long)(double)(bool)(std::string)
|
|
|
|
// the type actually stored
|
|
template <typename T, typename Enable = void> struct storage_t_impl : std::conditional<std::is_integral<T>::value, long, T>{};
|
|
template <typename T> using storage_t = typename storage_t_impl<std::c14::decay_t<T>>::type;
|
|
|
|
template <typename A> struct storage_t_impl<A, std::c14::enable_if_t<arrays::is_amv_value_or_view_class<A>::value>> {
|
|
using type = arrays::array<typename A::value_type, A::rank>;
|
|
};
|
|
template<> struct storage_t_impl<const char *> {using type = std::string;};
|
|
template<> struct storage_t_impl<char *> {using type = std::string;};
|
|
|
|
// --------------- the field object ---------------------------------------
|
|
|
|
class _field {
|
|
friend class parameters;
|
|
|
|
struct _data {
|
|
virtual const void *get() const = 0;
|
|
virtual _data *clone() const = 0;
|
|
virtual void h5_write_(h5::group, std::string const &) const = 0;
|
|
virtual void h5_read_(h5::group, std::string const &) = 0;
|
|
virtual std::string serialize() const = 0;
|
|
virtual void deserialize(std::string const &) = 0;
|
|
virtual std::ostream &print(std::ostream &out) const = 0;
|
|
#ifdef TRIQS_WITH_PYTHON_SUPPORT
|
|
virtual bool from_python_convertible(PyObject *) const = 0;
|
|
virtual void set_from_python(PyObject *) = 0;
|
|
virtual PyObject *to_python() const = 0;
|
|
#endif
|
|
};
|
|
|
|
template <typename T> struct _data_impl : _data {
|
|
T x;
|
|
|
|
_data_impl(T obj) : x(std::move(obj)) {}
|
|
_data_impl(_data_impl &&c) = default;
|
|
_data_impl(_data_impl const &) = default;
|
|
|
|
virtual const void *get() const override { return &x; }
|
|
virtual _data *clone() const override { return new _data_impl(*this); }
|
|
virtual void h5_write_(h5::group f, std::string const &name) const override { h5_write(f, name, x); }
|
|
virtual void h5_read_(h5::group f, std::string const &name) override { h5_read(f, name, x); }
|
|
virtual std::string serialize() const override { return triqs::serialize(x); }
|
|
virtual void deserialize(std::string const &s) override {
|
|
x = triqs::deserialize<T>(s);
|
|
};
|
|
virtual std::ostream &print(std::ostream &out) const override { return out << x; }
|
|
#ifdef TRIQS_WITH_PYTHON_SUPPORT
|
|
virtual bool from_python_convertible(PyObject *ob) const override {
|
|
return py_tools::py_converter<T>::is_convertible(ob, true);
|
|
}
|
|
virtual void set_from_python(PyObject *ob) override { x = py_tools::py_converter<T>::py2c(ob); }
|
|
virtual PyObject *to_python() const override { return py_tools::py_converter<T>::c2py(x); }
|
|
#endif
|
|
};
|
|
|
|
std::type_index index;
|
|
std::unique_ptr<_data> p; //invariant : is never null
|
|
static std::map<std::type_index, std::string> type_names;
|
|
std::string name_; // for_error_messages
|
|
bool modified = false;
|
|
bool no_default_value = false;
|
|
|
|
// only parameters will construct _field
|
|
template <typename T>
|
|
_field(T obj, std::string n, bool without_default_value)
|
|
: index(typeid(storage_t<T>)), p(new _data_impl<storage_t<T>>{std::move(obj)}), name_(n), no_default_value(without_default_value) {
|
|
type_names.insert({index, get_triqs_hdf5_data_scheme(storage_t<T>{})});
|
|
}
|
|
|
|
std::string type_name() const { return type_name(index); }
|
|
static std::string type_name(std::type_index i);
|
|
|
|
const void *get() const { return (p ? p->get() : nullptr); }
|
|
template <typename T> friend T extract(_field const &ob);
|
|
template <typename T> bool has_type() const { return index == typeid(T); }
|
|
|
|
public:
|
|
#ifdef TRIQS_SERIALIZATION_WITH_HDF5_IMPOSSIBLE
|
|
_field() : index(typeid(void)) {} // BREAKS invariant : only used for BOOST serialization failsafe mode.
|
|
#endif
|
|
_field(_field &&c) = default;
|
|
_field(_field const &x) : index(x.index), p(x.p ? x.p->clone() : nullptr), name_(x.name_), modified(x.modified), no_default_value(x.no_default_value) {} // regular type
|
|
|
|
_field &operator=(_field &&c) = default;
|
|
_field &operator=(_field const &x) { return operator=(_field(x)); }
|
|
|
|
template <typename RHS> _field &operator=(RHS rhs) { // pass by value (sink)
|
|
modified = true;
|
|
using S_t = storage_t<RHS>;
|
|
if (index != typeid(S_t)) {
|
|
TRIQS_RUNTIME_ERROR << "Field "<< name_<<" is of type "<< type_name(index)<<". I cannot put a " << type_name(typeid(S_t)) << " into it.";
|
|
}
|
|
p.reset(new _data_impl<S_t>{std::move(rhs)});
|
|
return *this;
|
|
}
|
|
|
|
// rewrite a few cases for practical convenience ...
|
|
_field &operator=(int rhs) { // a special case where we can correct : int -> double
|
|
if (index == typeid(double)) return operator=(double(rhs));
|
|
return operator=(long(rhs));// beware infinite loop! Works because int != long ... Clean this ...
|
|
}
|
|
_field &operator=(const char *rhs) { return operator=(std::string(rhs)); }
|
|
|
|
// In the case where the data is itself a parameters (used to implement subgroups)
|
|
// we suplement _field with a few parameters methods
|
|
// Implemented after parameters (we need the type).
|
|
// Strict check type at runtime.
|
|
template <typename... T> _field &add_field(T &&... x);
|
|
_field &operator[](const char * key);
|
|
_field const &operator[](const char * key) const;
|
|
friend bool is_parameter(_field const & f);
|
|
_field& add_group(std::string const& key, std::string const& doc);
|
|
|
|
/// Name of the field
|
|
std::string const &name() const { return name_; }
|
|
|
|
/// Has the field been modified
|
|
bool is_modified() const { return modified; }
|
|
|
|
/// Is a modification required for this field
|
|
bool is_modification_required() const { return no_default_value && (!modified); }
|
|
|
|
#ifdef TRIQS_WITH_PYTHON_SUPPORT
|
|
/// Convertions python <-> C++
|
|
bool from_python_convertible(PyObject *ob) const { return p->from_python_convertible(ob); }
|
|
void set_from_python(PyObject *ob) {
|
|
p->set_from_python(ob);
|
|
modified = true;
|
|
}
|
|
PyObject *to_python() const { return p->to_python(); }
|
|
#endif
|
|
|
|
// implemented later, since it needs the extract function ...
|
|
#define CAST_OPERATOR(r, data, T) operator T() const;
|
|
BOOST_PP_SEQ_FOR_EACH(CAST_OPERATOR, nil, TRIQS_UTIL_OPAQUE_OBJECT_PREDEFINED_CAST);
|
|
#undef CAST_OPERATOR
|
|
|
|
#ifdef TRIQS_SERIALIZATION_WITH_HDF5_IMPOSSIBLE
|
|
// ----- Boost serialisation
|
|
|
|
template <class Archive> void save(Archive &ar, const unsigned int version) const {
|
|
std::string s = p->serialize();
|
|
ar << TRIQS_MAKE_NVP("seria_str", s);
|
|
}
|
|
template <class Archive> void load(Archive &ar, const unsigned int version) {
|
|
std::string s;
|
|
ar >> TRIQS_MAKE_NVP("seria_str", s);
|
|
p->deserialize(s);
|
|
}
|
|
BOOST_SERIALIZATION_SPLIT_MEMBER();
|
|
#endif
|
|
|
|
friend std::ostream &operator<<(std::ostream &out, _field const &ob) { return ob.p->print(out); }
|
|
|
|
// --------------------- hdf5 ---------------------------------
|
|
friend std::string get_triqs_hdf5_data_scheme(_field const &) { return ""; }
|
|
friend void h5_write(h5::group F, std::string const &Name, _field const &);
|
|
friend void h5_read(h5::group F, std::string const &Name, _field &);
|
|
|
|
}; // object class
|
|
|
|
// --------------------- arithmetic operations are deleted for _field ---------------------------------
|
|
|
|
#define DELETE_OP(op) \
|
|
template <typename LHS, typename RHS> \
|
|
std::c14::enable_if_t<std::is_same<LHS, _field>::value || std::is_same<RHS, _field>::value> operator op(LHS const &, \
|
|
RHS const &) = delete;
|
|
DELETE_OP(+);
|
|
DELETE_OP(-);
|
|
DELETE_OP(*);
|
|
DELETE_OP(/ );
|
|
#undef DELETE_OP
|
|
|
|
// --------------------- extraction with type checking for C++ ---------------------------------
|
|
|
|
template <typename T> T extract(_field const &ob) {
|
|
if (!ob.has_type<storage_t<T>>())
|
|
TRIQS_RUNTIME_ERROR << "extraction of " << ob.name() << " impossible : type mismatch. I have received a " << ob.type_name()
|
|
<< ", while I am supposed to extract a " << _field::type_name(typeid(T));
|
|
return *static_cast<const storage_t<T> *>(ob.get());
|
|
}
|
|
|
|
template <> double extract(_field const &obj); // special treatment for basic types
|
|
template <> long extract(_field const &obj);
|
|
}
|
|
}
|