Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F78735588
dump_custom_gz.cpp
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, Aug 22, 16:54
Size
4 KB
Mime Type
text/x-c
Expires
Sat, Aug 24, 16:54 (2 d)
Engine
blob
Format
Raw Data
Handle
20092708
Attached To
rLAMMPS lammps
dump_custom_gz.cpp
View Options
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "dump_custom_gz.h"
#include "domain.h"
#include "error.h"
#include "update.h"
#include <string.h>
using
namespace
LAMMPS_NS
;
DumpCustomGZ
::
DumpCustomGZ
(
LAMMPS
*
lmp
,
int
narg
,
char
**
arg
)
:
DumpCustom
(
lmp
,
narg
,
arg
)
{
gzFp
=
NULL
;
if
(
!
compressed
)
error
->
all
(
FLERR
,
"Dump custom/gz only writes compressed files"
);
}
/* ---------------------------------------------------------------------- */
DumpCustomGZ
::~
DumpCustomGZ
()
{
if
(
gzFp
)
gzclose
(
gzFp
);
gzFp
=
NULL
;
fp
=
NULL
;
}
/* ----------------------------------------------------------------------
generic opening of a dump file
ASCII or binary or gzipped
some derived classes override this function
------------------------------------------------------------------------- */
void
DumpCustomGZ
::
openfile
()
{
// single file, already opened, so just return
if
(
singlefile_opened
)
return
;
if
(
multifile
==
0
)
singlefile_opened
=
1
;
// if one file per timestep, replace '*' with current timestep
char
*
filecurrent
=
filename
;
if
(
multiproc
)
filecurrent
=
multiname
;
if
(
multifile
)
{
char
*
filestar
=
filecurrent
;
filecurrent
=
new
char
[
strlen
(
filestar
)
+
16
];
char
*
ptr
=
strchr
(
filestar
,
'*'
);
*
ptr
=
'\0'
;
if
(
padflag
==
0
)
sprintf
(
filecurrent
,
"%s"
BIGINT_FORMAT
"%s"
,
filestar
,
update
->
ntimestep
,
ptr
+
1
);
else
{
char
bif
[
8
],
pad
[
16
];
strcpy
(
bif
,
BIGINT_FORMAT
);
sprintf
(
pad
,
"%%s%%0%d%s%%s"
,
padflag
,
&
bif
[
1
]);
sprintf
(
filecurrent
,
pad
,
filestar
,
update
->
ntimestep
,
ptr
+
1
);
}
*
ptr
=
'*'
;
}
// each proc with filewriter = 1 opens a file
if
(
filewriter
)
{
if
(
append_flag
)
{
gzFp
=
gzopen
(
filecurrent
,
"ab9"
);
}
else
{
gzFp
=
gzopen
(
filecurrent
,
"wb9"
);
}
if
(
gzFp
==
NULL
)
error
->
one
(
FLERR
,
"Cannot open dump file"
);
}
else
gzFp
=
NULL
;
// delete string with timestep replaced
if
(
multifile
)
delete
[]
filecurrent
;
}
void
DumpCustomGZ
::
write_header
(
bigint
ndump
)
{
if
((
multiproc
)
||
(
!
multiproc
&&
me
==
0
))
{
if
(
domain
->
triclinic
==
0
)
{
gzprintf
(
gzFp
,
"ITEM: TIMESTEP
\n
"
);
gzprintf
(
gzFp
,
BIGINT_FORMAT
"
\n
"
,
update
->
ntimestep
);
gzprintf
(
gzFp
,
"ITEM: NUMBER OF ATOMS
\n
"
);
gzprintf
(
gzFp
,
BIGINT_FORMAT
"
\n
"
,
ndump
);
gzprintf
(
gzFp
,
"ITEM: BOX BOUNDS %s
\n
"
,
boundstr
);
gzprintf
(
gzFp
,
"%g %g
\n
"
,
boxxlo
,
boxxhi
);
gzprintf
(
gzFp
,
"%g %g
\n
"
,
boxylo
,
boxyhi
);
gzprintf
(
gzFp
,
"%g %g
\n
"
,
boxzlo
,
boxzhi
);
gzprintf
(
gzFp
,
"ITEM: ATOMS %s
\n
"
,
columns
);
}
else
{
gzprintf
(
gzFp
,
"ITEM: TIMESTEP
\n
"
);
gzprintf
(
gzFp
,
BIGINT_FORMAT
"
\n
"
,
update
->
ntimestep
);
gzprintf
(
gzFp
,
"ITEM: NUMBER OF ATOMS
\n
"
);
gzprintf
(
gzFp
,
BIGINT_FORMAT
"
\n
"
,
ndump
);
gzprintf
(
gzFp
,
"ITEM: BOX BOUNDS xy xz yz %s
\n
"
,
boundstr
);
gzprintf
(
gzFp
,
"%g %g %g
\n
"
,
boxxlo
,
boxxhi
,
boxxy
);
gzprintf
(
gzFp
,
"%g %g %g
\n
"
,
boxylo
,
boxyhi
,
boxxz
);
gzprintf
(
gzFp
,
"%g %g %g
\n
"
,
boxzlo
,
boxzhi
,
boxyz
);
gzprintf
(
gzFp
,
"ITEM: ATOMS %s
\n
"
,
columns
);
}
}
}
/* ---------------------------------------------------------------------- */
void
DumpCustomGZ
::
write_data
(
int
n
,
double
*
mybuf
)
{
gzwrite
(
gzFp
,
mybuf
,
sizeof
(
char
)
*
n
);
}
/* ---------------------------------------------------------------------- */
void
DumpCustomGZ
::
write
()
{
DumpCustom
::
write
();
if
(
filewriter
)
{
if
(
multifile
)
{
gzclose
(
gzFp
);
gzFp
=
NULL
;
}
else
{
if
(
flush_flag
)
gzflush
(
gzFp
,
Z_SYNC_FLUSH
);
}
}
}
Event Timeline
Log In to Comment