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specmicp/src/specmicp_database/species/solid_solution_list.hpp
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solid_solution_list.hpp
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/* =============================================================================
Copyright (c) 2014-2017 F. Georget <fabieng@princeton.edu> Princeton University
Copyright (c) 2017-2018 F. Georget <fabien.georget@epfl.ch> EPFL
All rights reserved.
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its
contributors may be used to endorse or promote products derived from this
software without specific prior written permission.
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. *
============================================================================= */
#ifndef SPECMICP_DATABASE_SOLIDSOLUTIONLIST_HPP
#define SPECMICP_DATABASE_SOLIDSOLUTIONLIST_HPP
#include "specmicp_common/types.hpp"
#ifndef SPECMICP_DATABASE_SPECIES_HPP
#include "species.hpp"
#endif
#include "species_groups.hpp"
//! \file solid_solution.hpp
//! \brief The list of solid solutions
//!
//! This list stores the information about solid solution
namespace specmicp {
namespace database {
//! \brief Values to define a new solid solution
struct SolidSolutionValues {
std::string label; //!< Name of the solid solution
std::vector<index_t> minerals; //!< The solid phases in the solid solution
};
//! \brief The set of solid solutions
class SolidSolutionList: public SpeciesList
{
public:
using SpeciesIterator = SpeciesGroups::SpeciesIterator;
//! \brief Default constructor
SolidSolutionList() {}
//! \brief Initialize a set of nb_solid_solutions with nb_minerals in the database
SolidSolutionList(index_t nb_solid_solutions,index_t nb_minerals):
SpeciesList(nb_solid_solutions),
m_members(nb_minerals, nb_solid_solutions)
{}
//! \name Size
//! \brief Manage the size of the list
// -----------
//! @{
//! \brief The number of end members in a solid solution
index_t nb_members(index_t d) {
return m_members.nb_members(d);
}
//! \brief Resize the list
void resize(index_t size) override {
SpeciesList::resize(size);
m_members.resize(size);
}
//! \brief Resize the list (and the number of solid phases)
void resize(index_t size, index_t size_minerals) {
SpeciesList::resize(size);
m_members.resize(size, size_minerals);
}
//! @}
//! \name Setter
//! \brief Set name and members
//! @{
void set_values(index_t k, const SolidSolutionValues& values) {
set_label(k, values.label);
for (index_t mineral: values.minerals) {
m_members.add_species_in_group(mineral, k);
}
}
void set_values(index_t k, SolidSolutionValues&& values) {
set_label(k, std::move(values.label));
for (index_t mineral: values.minerals) {
m_members.add_species_in_group(mineral, k);
}
}
//! @}
//! \name Getter
//! \brief Return values
// ---------------------
//! @{
//! \brief Return the solid solution id of a mineral
//!
//! return no_species if it does not belong to a solid solution
index_t id_ss_of_mineral(index_t mineral) {
return m_members.group_of_species(mineral);
}
//! \brief Return true if mineral is in a solid solution
bool is_mineral_in_ss(index_t mineral) {
return m_members.is_species_in_group(mineral);
}
//! \brief Return true if species is in solid solution
bool is_mineral_in_ss(index_t mineral, index_t ssol) {
return m_members.is_species_in_group(mineral, ssol);
}
//! \brief Iterator over the members of a solid solution
SpeciesIterator members(index_t ssol) {
return m_members.members(ssol);
}
//! @}
//! \name Move species
//! \brief Move species in the list or to another list
// -------------
//! @{
//! \brief move species 'old_ind' to 'new_ind' and erase the previous species at 'new_ind'
void move_erase(index_t old_ind, index_t new_ind) override
{
SpeciesList::move_erase(old_ind, new_ind);
m_members.move_erase(old_ind, new_ind);
}
//! \brief move 'ind' to 'other' at 'other_ind'
void move_erase_to(index_t ind, SolidSolutionList& other, index_t other_ind) {
SpeciesList::move_erase_to(ind, other, other_ind);
m_members.move_erase_to(ind, other.m_members, other_ind);
}
//! @}
//! \brief Append to a pre-existing set of solid solutions
void append_to(SolidSolutionList& list);
private:
SpeciesGroups m_members;
};
} // namespace database
} // namespace specmicp
#endif // SPECMICP_DATABASE_SOLIDSOLUTIONLIST_HPP
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