Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F87377133
data_container.hpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sat, Oct 12, 07:53
Size
2 KB
Mime Type
text/x-c
Expires
Mon, Oct 14, 07:53 (2 d)
Engine
blob
Format
Raw Data
Handle
21584517
Attached To
rSPECMICP SpecMiCP / ReactMiCP
data_container.hpp
View Options
/*-------------------------------------------------------
- Module : database
- File : data_container.hpp
- Author : Fabien Georget
Copyright (c) 2014, Fabien Georget, Princeton University
---------------------------------------------------------*/
#ifndef SPECMICP_DATABASE_DATACONTAINER_HPP
#define SPECMICP_DATABASE_DATACONTAINER_HPP
//! \file data_container.hpp Storage class for thermodynamics database
#include "common_def.hpp"
#include <map>
namespace specmicp {
namespace database {
//! \brief Storage class - Contains the database
//!
//! - Should not be accessed directly but through interfaces
//! Correct interfaces are subclasses of DatabaseModule
//! - Should be shared with a smart pointer
struct DataContainer
{
DataContainer():
is_canonical(false)
{}
int nb_component; //!< Number of components == size of the basis
int nb_aqueous; //!< Number of aqueous species (not taking into acount the basis)
int nb_mineral; //!< Number of minerals (used in computation)
int nb_mineral_kinetic; //!< Number of minerals (governed by kinetics)
vector_labels_t labels_basis; //!< labels of the components
std::map<std::string, int> map_labels_basis; //!< map labels <-> id
vector_labels_t labels_aqueous; //!< labels of the aqueous species
vector_labels_t labels_minerals; //!< labels of the minerals
vector_labels_t labels_minerals_kinetic; //!< labels of the minerals (governed by kinetics)
molar_mass_vector_t molar_mass_basis; //!< molar mass of the basis
reaction_mat_t nu_aqueous; //!< Stoechiometric coefficient for aqueous species
logK_vector_t logk_aqueous; //!< LogK for aqueous species
reaction_mat_t nu_mineral; //!< Stoichiometric coefficient for minerals
logK_vector_t logk_mineral; //!< LogK for minerals
reaction_mat_t nu_mineral_kinetic; //!< Stoichiometric coefficient for minerals (governed by kinetics)
logK_vector_t logk_mineral_kinetic; //!< LogK for minerals (governed by kinetics)
Eigen::Matrix<double, Eigen::Dynamic, 3> param_aq; //!< Aqueous parameters
bool is_canonical;
};
} // end namespace database
} // end namespace specmicp
#endif // SPECMICP_DATABASE_DATACONTAINER_HPP
Event Timeline
Log In to Comment