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dumper_lammps.hh
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Fri, Sep 6, 20:50
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rAKA akantu
dumper_lammps.hh
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/**
* @file dumper_lammps.hh
*
* @author Till Junge <till.junge@epfl.ch>
*
* @date creation: Thu Nov 25 2010
* @date last modification: Tue Jun 04 2013
*
* @brief header for lammps dumper
*
* @section LICENSE
*
* Copyright (©) 2010-2012, 2014 EPFL (Ecole Polytechnique Fédérale de Lausanne)
* Laboratory (LSMS - Laboratoire de Simulation en Mécanique des Solides)
*
* IOHelper is free software: you can redistribute it and/or modify it under the
* terms of the GNU Lesser General Public License as published by the Free
* Software Foundation, either version 3 of the License, or (at your option) any
* later version.
*
* IOHelper 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 Lesser General Public License for more
* details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with IOHelper. If not, see <http://www.gnu.org/licenses/>.
*
*/
/* -------------------------------------------------------------------------- */
#ifndef __IOHELPER_DUMPER_LAMMPS_H__
#define __IOHELPER_DUMPER_LAMMPS_H__
/* -------------------------------------------------------------------------- */
#include "dumper.hh"
#include <fstream>
/* -------------------------------------------------------------------------- */
__BEGIN_IOHELPER__
enum
LammpsAtomStyle
{
atomic
,
bond
};
//please extend ad libidum
template
<
LammpsAtomStyle
style
>
class
DumperLammps
:
public
Dumper
,
public
Visitor
{
/* ------------------------------------------------------------------------ */
/* Constructors/Destructors */
/* ------------------------------------------------------------------------ */
public
:
DumperLammps
(
Real
*
bounds
=
nullptr
,
const
std
::
string
&
prefix
=
"./"
);
~
DumperLammps
()
override
=
default
;
/* ------------------------------------------------------------------------ */
/* Methods */
/* ------------------------------------------------------------------------ */
public
:
//! dump to file
void
dump
(
const
std
::
string
&
basename
=
std
::
string
(),
UInt
count
=
UInt
(
-
1
))
override
;
void
dumpHead
(
Real
*
bounds
=
nullptr
);
template
<
typename
T
>
void
visitField
(
T
&
cont
);
void
dumpFinalize
();
//! set mode for file creation : TEXT, BASE64, COMPRESSED
void
setMode
(
int
mode
)
override
{
Dumper
::
setMode
(
mode
);
}
void
dumpAdd
(
int
grain_id
=
1
);
void
setEmbeddedValue
(
__attribute__
((
unused
))
const
std
::
string
&
name
,
__attribute__
((
unused
))
int
value
){}
/* ------------------------------------------------------------------------ */
/* Accessors */
/* ------------------------------------------------------------------------ */
public
:
/* ------------------------------------------------------------------------ */
/* Class Members */
/* ------------------------------------------------------------------------ */
private
:
//position of where the number of atoms is printed;
std
::
streampos
nb_atom_position
;
//current number of atoms printed to the file
unsigned
long
int
curr_nb_atom
;
std
::
fstream
lammps_dump_file
;
Real
*
bounds
;
//! flag to produce zipped files
bool
flag_compressed
;
//! current values
int
grain_id
;
};
/* -------------------------------------------------------------------------- */
template
<>
template
<
typename
T
>
void
DumperLammps
<
bond
>::
visitField
(
T
&
visited
)
{
typename
T
::
iterator
it
=
visited
.
begin
();
typename
T
::
iterator
end
=
visited
.
end
();
UInt
dim
=
visited
.
getDim
();
for
(;
it
!=
end
;
++
it
)
{
this
->
lammps_dump_file
<<
this
->
curr_nb_atom
+
1
<<
" "
<<
this
->
grain_id
+
2
<<
" 1 "
;
for
(
UInt
i
=
0
;
i
<
dim
;
++
i
)
{
this
->
lammps_dump_file
<<
(
*
it
)[
i
]
<<
" "
;
}
this
->
lammps_dump_file
<<
std
::
endl
;
++
this
->
curr_nb_atom
;
}
}
/* -------------------------------------------------------------------------- */
template
<>
template
<
typename
T
>
void
DumperLammps
<
atomic
>::
visitField
(
T
&
visited
)
{
typename
T
::
iterator
it
=
visited
.
begin
();
typename
T
::
iterator
end
=
visited
.
end
();
UInt
dim
=
visited
.
getDim
();
for
(;
it
!=
end
;
++
it
)
{
this
->
lammps_dump_file
<<
this
->
curr_nb_atom
+
1
<<
" 1 "
;
for
(
UInt
i
=
0
;
i
<
dim
;
++
i
)
{
this
->
lammps_dump_file
<<
(
*
it
)[
i
]
<<
" "
;
}
this
->
lammps_dump_file
<<
std
::
endl
;
++
this
->
curr_nb_atom
;
}
}
/* -------------------------------------------------------------------------- */
__END_IOHELPER__
/* -------------------------------------------------------------------------- */
#include "field_inline_impl.cc"
/* -------------------------------------------------------------------------- */
#endif
/* __IOHELPER_DUMPER_LAMMPS_H__ */
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