int
building_create_type(const char* name, SCM lst)
{
AList alist;
while(!gh_null_p(lst))
{
SCM key = gh_car(lst);
if (gh_null_p(gh_cdr(lst)))
{
std::cout << "Missing argument to keyword!" << std::endl;
}
SCM value = gh_cadr(lst);
if (gh_boolean_p(value))
{
alist.set_bool(Guile::keyword2string(key), gh_scm2bool(value));
}
else if (gh_number_p(value))
{
alist.set_int(Guile::keyword2string(key), gh_scm2int(value));
}
else if (gh_string_p(value))
{
alist.set_string(Guile::keyword2string(key), Guile::scm2string(value));
}
else
{
std::cout << "BuildingCommands: unknown argumnent type" << std::endl;
}
lst = gh_cddr(lst);
}
return BuildingTypeManager::current()->register_factory(new CustomBuildingFactory(name, alist));
}
/* get confinement from SCM
* in SCM, confinement is given by one of these:
* for spherical confinement,
* (define confinement '(
* 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value)
* 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value)
* "sphere"
* 10.0 ;; radius of the cavity at (0, 0, 0)
* ))
* for spherical confinement with a hole,
* (define confinement '(
* 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value)
* 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value)
* "sphere+hole"
* 10.0 ;; radius of the cavity at (0, 0, 0)
* 1.0 ;; radius of the hole at (0, 0, 1) direction
* ))
* for cylindrical confinement,
* (define confinement '(
* 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value)
* 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value)
* "cylinder" ;; the cylinder center goes through (0, 0, 0) and (x, y, z).
* 10.0 ;; radius of the cylinder
* 1.0 0.0 0.0 ;; direction vector (x, y, z) of the cylinder
* ))
* for dumbbell confinement,
* (define confinement '(
* 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value)
* 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value)
* "dumbbell" ;; the origin is at the center of the cylinder
* 10.0 ;; left cavity radius centered at (center1, 0, 0)
* 10.0 ;; right cavity radius centered at (center2, 0, 0)
* 2.0 ;; length of the cylinder
* 1.0 ;; cylinder radius
* ))
* for 2D hexagonal confinement with cylinder pipe,
* (define confinement '(
* 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value)
* 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value)
* "hex2d"
* 10.0 ;; cavity radius
* 1.0 ;; cylinder radius
* 12.0 ;; lattice spacing
* ))
* for porous media (outside of the 3D hexagonal particle array)
* (define confinement '(
* 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value)
* 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value)
* "porous"
* 10.0 ;; particle radius
* 20.0 ;; lattice spacing in x (2R for touching case)
* ))
* INPUT
* var : name of the variable.
* in the above example, set "confinement".
* OUTPUT
* returned value : struct confinement
* if NULL is returned, it failed (not defined)
*/
struct confinement *
CF_guile_get (const char *var)
{
if (guile_check_symbol (var) == 0)
{
fprintf (stderr, "CF_guile_get: %s is not defined\n", var);
return (NULL);
}
SCM scm_symbol
= scm_c_lookup (var);
SCM scm_confinement
= scm_variable_ref (scm_symbol);
if (!SCM_NFALSEP (scm_list_p (scm_confinement)))
{
fprintf (stderr, "CF_guile_get: %s is not a list\n", var);
return (NULL);
}
struct confinement *cf = NULL;
unsigned long len
= scm_num2ulong (scm_length (scm_confinement),
0, "CF_guile_get");
if (len == 0)
{
// no confinement
return (cf);
}
else if (len < 4)
{
fprintf (stderr, "CF_guile_get: %s is too short\n", var);
return (NULL);
}
double epsilon
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (0)),
"CF_guile_get");
double r0
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (1)),
"CF_guile_get");
// get the string
char *str_cf = NULL;
SCM scm_conf = scm_list_ref (scm_confinement, scm_int2num (2));
#ifdef GUILE16
size_t str_len;
if (gh_string_p (scm_conf))
{
str_cf = gh_scm2newstr (scm_conf, &str_len);
}
#else // !GUILE16
if (scm_is_string (scm_conf))
{
str_cf = scm_to_locale_string (scm_conf);
}
#endif // GUILE16
if (strcmp (str_cf, "sphere") == 0)
{
if (len != 4)
{
fprintf (stderr, "CF_guile_get:"
" for sphere, number of parameter must be 1\n");
}
else
{
double R
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (3)),
"CF_guile_get");
cf = CF_init (0, // sphere
R,
0.0, // r
0.0, 0.0, 0.0, // x, y, z
0.0, // R2
0.0, // L
0, // flag_LJ
epsilon,
r0);
CHECK_MALLOC (cf, "CF_guile_get");
}
}
else if (strcmp (str_cf, "sphere+hole") == 0)
{
if (len != 5)
{
fprintf (stderr, "CF_guile_get:"
" for sphere+hole, number of parameter must be 2\n");
}
else
{
double R
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (3)),
"CF_guile_get");
double r
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (4)),
"CF_guile_get");
cf = CF_init (1, // sphere+hole
R,
r,
0.0, 0.0, 0.0, // x, y, z
0.0, // R2
0.0, // L
0, // flag_LJ
epsilon,
r0);
CHECK_MALLOC (cf, "CF_guile_get");
}
}
else if (strcmp (str_cf, "cylinder") == 0)
{
if (len != 7)
{
fprintf (stderr, "CF_guile_get:"
" for cylinder, number of parameter must be 4\n");
}
else
{
double r
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (3)),
"CF_guile_get");
double x
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (4)),
"CF_guile_get");
double y
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (5)),
"CF_guile_get");
double z
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (6)),
"CF_guile_get");
cf = CF_init (2, // cylinder
0.0, // R,
r,
x, y, z,
0.0, // R2
0.0, // L
0, // flag_LJ
epsilon,
r0);
CHECK_MALLOC (cf, "CF_guile_get");
}
}
else if (strcmp (str_cf, "dumbbell") == 0)
{
if (len != 7)
{
fprintf (stderr, "CF_guile_get:"
" for dumbbell, number of parameter must be 4\n");
}
else
{
double R
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (3)),
"CF_guile_get");
double R2
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (4)),
"CF_guile_get");
double L
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (5)),
"CF_guile_get");
double r
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (6)),
"CF_guile_get");
cf = CF_init (3, // dumbbell
R,
r,
0.0, 0.0, 0.0, // x, y, z
R2,
L,
0, // flag_LJ
epsilon,
r0);
CHECK_MALLOC (cf, "CF_guile_get");
}
}
else if (strcmp (str_cf, "hex2d") == 0)
{
if (len != 6)
{
fprintf (stderr, "CF_guile_get:"
" for hex2d, number of parameter must be 3\n");
}
else
{
double R
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (3)),
"CF_guile_get");
double r
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (4)),
"CF_guile_get");
double L
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (5)),
"CF_guile_get");
cf = CF_init (4, // hex2d
R,
r,
0.0, 0.0, 0.0, // x, y, z
0.0, // R2
L,
0, // flag_LJ
epsilon,
r0);
CHECK_MALLOC (cf, "CF_guile_get");
}
}
else if (strcmp (str_cf, "porous") == 0)
{
if (len != 5)
{
fprintf (stderr, "CF_guile_get:"
" for hex2d, number of parameter must be 2\n");
}
else
{
double R
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (3)),
"CF_guile_get");
double L
= scm_num2dbl (scm_list_ref (scm_confinement, scm_int2num (4)),
"CF_guile_get");
cf = CF_init (5, // porous
R,
0.0,
0.0, 0.0, 0.0, // x, y, z
0.0, // R2
L,
0, // flag_LJ
epsilon,
r0);
CHECK_MALLOC (cf, "CF_guile_get");
}
}
else
{
fprintf (stderr, "CF_guile_get: invalid confinement %s\n",
str_cf);
}
free (str_cf);
return (cf); // success
}
