Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F87148077
module.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
Thu, Oct 10, 22:27
Size
3 KB
Mime Type
text/x-c++
Expires
Sat, Oct 12, 22:27 (2 d)
Engine
blob
Format
Raw Data
Handle
21541444
Attached To
rSPECMICP SpecMiCP / ReactMiCP
module.hpp
View Options
/*-------------------------------------------------------
- Module : database
- File : module
- Author : Fabien Georget
Copyright (c) 2014, Fabien Georget, Princeton University
---------------------------------------------------------*/
#ifndef SPECMICP_DATAABASE_MODULE_HPP
#define SPECMICP_DATAABASE_MODULE_HPP
//! \file module.hpp base class for a database module
#include <memory>
#include "data_container.hpp"
namespace
specmicp
{
namespace
database
{
//! \brief Base class for a database module
class
DatabaseModule
{
public
:
//! The type of a smart pointer to a raw database
using
RawDatabasePtr
=
std
::
shared_ptr
<
DataContainer
>
;
//! Index that indicates no known species
static
const
int
no_species
=
-
1
;
//! Create a blank database
DatabaseModule
()
{
reset_database
();
}
//! Use the database thedata
DatabaseModule
(
RawDatabasePtr
thedata
)
:
data
(
thedata
)
{}
//! \brief set the database
void
set_database
(
RawDatabasePtr
thedata
)
{
data
=
thedata
;}
//! \brief (Re)set the database - create a blank database
void
reset_database
()
{
data
=
std
::
make_shared
<
DataContainer
>
();}
//! \brief Return true if the database is canonical
bool
is_database_canonical
()
{
return
data
->
is_canonical
;}
//! \brief Return the id of species "label" in list_labels
//!
//! return no_species if the species cannot be found in the database
static
int
label_to_id
(
const
std
::
string
&
label
,
const
std
::
vector
<
std
::
string
>&
list_labels
)
{
auto
search
=
std
::
find
(
list_labels
.
begin
(),
list_labels
.
end
(),
label
);
if
(
search
==
list_labels
.
end
())
return
DatabaseModule
::
no_species
;
else
return
(
search
-
list_labels
.
begin
());
}
//! \brief Return the id of species "label" in list_labels
//!
//! Throw std::invalid_argument if the species cannot be found in the list
static
int
safe_label_to_id
(
const
std
::
string
&
label
,
const
std
::
vector
<
std
::
string
>&
list_labels
)
{
auto
search
=
std
::
find
(
list_labels
.
begin
(),
list_labels
.
end
(),
label
);
if
(
search
==
list_labels
.
end
())
throw
std
::
invalid_argument
(
"Unknown species : '"
+
label
+
"'."
);
else
return
(
search
-
list_labels
.
begin
());
}
//! \brief Return the id of the mineral "label"
//!
//! Return no_species if label is not a mineral (at equilibrium)
int
mineral_label_to_id
(
const
std
::
string
&
label
)
{
return
label_to_id
(
label
,
data
->
labels_minerals
);
}
//! \brief Return the id of the mineral "label"
//!
//! Return no_species if label is not a mineral (at equilibrium)
int
mineral_kinetic_label_to_id
(
const
std
::
string
&
label
)
{
return
label_to_id
(
label
,
data
->
labels_minerals_kinetic
);
}
//! \brief Return the id of the component "label"
//!
//! Return no_species if "label" is not a component
int
component_label_to_id
(
const
std
::
string
&
label
)
{
return
label_to_id
(
label
,
data
->
labels_basis
);
}
//! \brief Return the id of the secondary aqueous species "label"
//!
//! Return no_species if "label" is not an aqueous species.
//! A component (of the basis) is not considered as a secondary aqueous species.
int
aqueous_label_to_it
(
const
std
::
string
&
label
)
{
return
label_to_id
(
label
,
data
->
labels_aqueous
);
}
protected
:
RawDatabasePtr
data
;
//! The database
};
}
// end namespace database
}
// end namespace specmicp
#endif
// SPECMICP_DATAABASE_MODULE_HPP
Event Timeline
Log In to Comment