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species.cpp
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Tue, Aug 20, 19:49
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Thu, Aug 22, 19:49 (2 d)
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rSPECMICP SpecMiCP / ReactMiCP
species.cpp
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/* =============================================================================
Copyright (c) 2014 - 2016
F. Georget <fabieng@princeton.edu> Princeton University
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. *
============================================================================= */
#include "species.hpp"
#include "specmicp_database/errors.hpp"
namespace
specmicp
{
namespace
database
{
static
std
::
hash
<
std
::
string
>
hash_fn
;
//!< The hash function
void
SpeciesList
::
set_label
(
index_t
ind
,
const
std
::
string
&
label
)
{
m_labels
[
ind
]
=
label
;
m_hashes
[
ind
]
=
hash_fn
(
label
);
}
void
SpeciesList
::
set_label
(
index_t
ind
,
std
::
string
&&
label
)
{
m_labels
.
emplace
(
m_labels
.
begin
()
+
ind
,
std
::
move
(
label
));
m_hashes
[
ind
]
=
hash_fn
(
m_labels
[
ind
]);
}
index_t
SpeciesList
::
get_id
(
const
std
::
string
&
label
)
const
{
if
(
label
==
""
)
return
no_species
;
auto
hash
=
hash_fn
(
label
);
auto
searchit
=
std
::
find
(
m_hashes
.
cbegin
(),
m_hashes
.
cend
(),
hash
);
if
(
searchit
==
m_hashes
.
cend
())
return
no_species
;
// the species does not exist in the list
return
static_cast
<
index_t
>
(
searchit
-
m_hashes
.
cbegin
());
}
size_t
SpeciesList
::
get_hash
()
const
{
return
std
::
accumulate
(
m_hashes
.
cbegin
(),
m_hashes
.
cend
(),
0
);
}
//! \brief Move species 'ind' to the list 'other' at 'other_ind'
void
ReactiveSpeciesList
::
move_erase_to
(
index_t
ind
,
ReactiveSpeciesList
&
other
,
index_t
other_ind
)
{
if
(
other
.
get_id
(
get_label
(
ind
))
!=
no_species
)
{
throw
db_species_already_exist
(
get_label
(
ind
),
"the destination"
);
}
SpeciesList
::
move_erase_to
(
ind
,
other
,
other_ind
);
m_nu_coeffs
.
move_erase_to
(
ind
,
other
.
m_nu_coeffs
,
other_ind
);
m_log_k
.
move_erase_to
(
ind
,
other
.
m_log_k
,
other_ind
);
}
}
// end namespace database
}
// end namespace specmicp
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