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polygons.cc
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Sun, Jun 30, 15:57
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Tue, Jul 2, 15:57 (1 d, 23 h)
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rLAMMPS lammps
polygons.cc
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// Direct C++ interface example code
//
// Author : Chris H. Rycroft (LBL / UC Berkeley)
// Email : chr@alum.mit.edu
// Date : August 30th 2011
#include <vector>
using
namespace
std
;
#include "voro++.hh"
using
namespace
voro
;
void
draw_polygon
(
FILE
*
fp
,
vector
<
int
>
&
f_vert
,
vector
<
double
>
&
v
,
int
j
);
int
main
()
{
unsigned
int
i
,
j
;
int
id
,
nx
,
ny
,
nz
;
double
x
,
y
,
z
;
voronoicell_neighbor
c
;
vector
<
int
>
neigh
,
f_vert
;
vector
<
double
>
v
;
// Create a pre-container class to import the input file and guess the
// best computational grid size to use.
pre_container
pcon
(
-
3
,
3
,
-
3
,
3
,
0
,
6
,
false
,
false
,
false
);
pcon
.
import
(
"pack_six_cube"
);
pcon
.
guess_optimal
(
nx
,
ny
,
nz
);
// Set up the container class and import the particles from the
// pre-container
container
con
(
-
3
,
3
,
-
3
,
3
,
0
,
6
,
nx
,
ny
,
nz
,
false
,
false
,
false
,
8
);
pcon
.
setup
(
con
);
// Open the output files
FILE
*
fp4
=
safe_fopen
(
"polygons4_v.pov"
,
"w"
),
*
fp5
=
safe_fopen
(
"polygons5_v.pov"
,
"w"
),
*
fp6
=
safe_fopen
(
"polygons6_v.pov"
,
"w"
);
// Loop over all particles in the container and compute each Voronoi
// cell
c_loop_all
cl
(
con
);
if
(
cl
.
start
())
do
if
(
con
.
compute_cell
(
c
,
cl
))
{
cl
.
pos
(
x
,
y
,
z
);
id
=
cl
.
pid
();
// Gather information about the computed Voronoi cell
c
.
neighbors
(
neigh
);
c
.
face_vertices
(
f_vert
);
c
.
vertices
(
x
,
y
,
z
,
v
);
// Loop over all faces of the Voronoi cell
for
(
i
=
0
,
j
=
0
;
i
<
neigh
.
size
();
i
++
)
{
// Draw all quadrilaterals, pentagons, and hexagons.
// Skip if the neighbor information is smaller than
// this particle's ID, to avoid double counting. This
// also removes faces that touch the walls, since the
// neighbor information is set to negative numbers for
// these cases.
if
(
neigh
[
i
]
>
id
)
{
switch
(
f_vert
[
j
])
{
case
4
:
draw_polygon
(
fp4
,
f_vert
,
v
,
j
);
break
;
case
5
:
draw_polygon
(
fp5
,
f_vert
,
v
,
j
);
break
;
case
6
:
draw_polygon
(
fp6
,
f_vert
,
v
,
j
);
}
}
// Skip to the next entry in the face vertex list
j
+=
f_vert
[
j
]
+
1
;
}
}
while
(
cl
.
inc
());
// Close the output files
fclose
(
fp4
);
fclose
(
fp5
);
fclose
(
fp6
);
// Draw the outline of the domain
con
.
draw_domain_pov
(
"polygons_d.pov"
);
}
void
draw_polygon
(
FILE
*
fp
,
vector
<
int
>
&
f_vert
,
vector
<
double
>
&
v
,
int
j
)
{
static
char
s
[
6
][
128
];
int
k
,
l
,
n
=
f_vert
[
j
];
// Create POV-Ray vector strings for each of the vertices
for
(
k
=
0
;
k
<
n
;
k
++
)
{
l
=
3
*
f_vert
[
j
+
k
+
1
];
sprintf
(
s
[
k
],
"<%g,%g,%g>"
,
v
[
l
],
v
[
l
+
1
],
v
[
l
+
2
]);
}
// Draw the interior of the polygon
fputs
(
"union{
\n
"
,
fp
);
for
(
k
=
2
;
k
<
n
;
k
++
)
fprintf
(
fp
,
"
\t
triangle{%s,%s,%s}
\n
"
,
s
[
0
],
s
[
k
-
1
],
s
[
k
]);
fputs
(
"
\t
texture{t1}
\n
}
\n
"
,
fp
);
// Draw the outline of the polygon
fputs
(
"union{
\n
"
,
fp
);
for
(
k
=
0
;
k
<
n
;
k
++
)
{
l
=
(
k
+
1
)
%
n
;
fprintf
(
fp
,
"
\t
cylinder{%s,%s,r}
\n\t
sphere{%s,r}
\n
"
,
s
[
k
],
s
[
l
],
s
[
l
]);
}
fputs
(
"
\t
texture{t2}
\n
}
\n
"
,
fp
);
}
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