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/*
* $Id: deposit_synth.c 24450 2021-11-01 14:32:53Z yeti-dn $
* Copyright (C) 2010-2021 David Necas (Yeti), Petr Klapetek.
* E-mail: yeti@gwyddion.net, klapetek@gwyddion.net.
*
* This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public
* License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any
* later version.
*
* This program 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 General Public License for more
* details.
*
* You should have received a copy of the GNU General Public License along with this program; if not, write to the
* Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
#include "config.h"
#include <string.h>
#include <gtk/gtk.h>
#include <libgwyddion/gwymacros.h>
#include <libgwyddion/gwymath.h>
#include <libgwyddion/gwyrandgenset.h>
#include <libgwyddion/gwythreads.h>
#include <libprocess/stats.h>
#include <libprocess/arithmetic.h>
#include <libprocess/inttrans.h>
#include <libgwydgets/gwystock.h>
#include <libgwymodule/gwymodule-process.h>
#include <app/gwyapp.h>
#include <app/gwymoduleutils-synth.h>
#include "preview.h"
#define RUN_MODES (GWY_RUN_IMMEDIATE | GWY_RUN_INTERACTIVE)
// 1. store link to original data
// 2. create result field
// 3. put copy of original or blank field to result
// 3. have function to do preview of result
// 4. run simulation with result field
// 5. repeat (3)
// N. have function to insert result to data browser or swap it for present channel
// N+1. run noninteractive or interactive with function N at end
enum {
MAXN = 10000,
};
enum {
PAGE_DIMENSIONS = 0,
PAGE_GENERATOR = 1,
};
enum {
RES_TOO_FEW = -1,
RES_TOO_MANY = -2,
RES_TOO_SMALL = -3,
RES_TOO_LARGE = -4
};
enum {
PARAM_COVERAGE,
PARAM_REVISE,
PARAM_SIZE,
PARAM_SIZE_NOISE,
PARAM_SEED,
PARAM_RANDOMIZE,
PARAM_ANIMATED,
PARAM_ACTIVE_PAGE,
BUTTON_LIKE_CURRENT_IMAGE,
INFO_COVERAGE_OBJECTS,
INFO_OBJECTS,
PARAM_DIMS0
};
typedef struct {
GwyParams *params;
GwyDataField *field;
GwyDataField *result;
/* Cached input image parameters. */
gdouble zscale; /* Negative value means there is no input image. */
} ModuleArgs;
typedef struct {
ModuleArgs *args;
GtkWidget *dialog;
GtkWidget *dataview;
GwyParamTable *table_dimensions;
GwyParamTable *table_generator;
GwyContainer *data;
GwyDataField *template_;
} ModuleGUI;
static gboolean module_register (void);
static GwyParamDef* define_module_params(void);
static void deposit_synth (GwyContainer *data,
GwyRunType run);
static gboolean execute (ModuleArgs *args,
GtkWindow *wait_window,
gint *pndeposited);
static GwyDialogOutcome run_gui (ModuleArgs *args,
GwyContainer *data,
gint id);
static GtkWidget* dimensions_tab_new (ModuleGUI *gui);
static GtkWidget* generator_tab_new (ModuleGUI *gui);
static void param_changed (ModuleGUI *gui,
gint id);
static void dialog_response (ModuleGUI *gui,
gint response);
static void preview (gpointer user_data);
static gint calculate_n_objects (ModuleArgs *args);
static const gchar* particle_error (gint code);
static GwyModuleInfo module_info = {
GWY_MODULE_ABI_VERSION,
&module_register,
N_("Generates particles using simple dynamical model"),
"Petr Klapetek <klapetek@gwyddion.net>",
"2.0",
"Petr Klapetek",
"2010",
};
GWY_MODULE_QUERY2(module_info, deposit_synth)
static gboolean
module_register(void)
{
gwy_process_func_register("deposit_synth",
(GwyProcessFunc)&deposit_synth,
N_("/S_ynthetic/_Deposition/_Particles..."),
GWY_STOCK_SYNTHETIC_PARTICLES,
RUN_MODES,
0,
N_("Generate particles using dynamical model"));
return TRUE;
}
static GwyParamDef*
define_module_params(void)
{
static GwyParamDef *paramdef = NULL;
paramdef = gwy_param_def_new();
gwy_param_def_set_function_name(paramdef, gwy_process_func_current());
gwy_param_def_add_percentage(paramdef, PARAM_COVERAGE, "coverage", _("Co_verage"), 0.1);
gwy_param_def_add_int(paramdef, PARAM_REVISE, "revise", _("_Relax steps"), 0, 100000, 500);
gwy_param_def_add_double(paramdef, PARAM_SIZE, "size", _("Particle r_adius"), 1.0, 1000.0, 50.0);
gwy_param_def_add_double(paramdef, PARAM_SIZE_NOISE, "width", _("Distribution _width"), 0.0, 100.0, 0.0);
gwy_param_def_add_seed(paramdef, PARAM_SEED, "seed", NULL);
gwy_param_def_add_randomize(paramdef, PARAM_RANDOMIZE, PARAM_SEED, "randomize", NULL, TRUE);
gwy_param_def_add_boolean(paramdef, PARAM_ANIMATED, "animated", _("Progressive preview"), TRUE);
gwy_param_def_add_active_page(paramdef, PARAM_ACTIVE_PAGE, "active_page", NULL);
gwy_synth_define_dimensions_params(paramdef, PARAM_DIMS0);
return paramdef;
}
static void
deposit_synth(GwyContainer *data, GwyRunType runtype)
{
GwyDialogOutcome outcome = GWY_DIALOG_PROCEED;
ModuleArgs args;
GtkWidget *dialog;
gint id, ndeposited;
g_return_if_fail(runtype & RUN_MODES);
gwy_clear(&args, 1);
gwy_app_data_browser_get_current(GWY_APP_DATA_FIELD, &args.field,
GWY_APP_DATA_FIELD_ID, &id,
0);
args.zscale = args.field ? gwy_data_field_get_rms(args.field) : -1.0;
args.params = gwy_params_new_from_settings(define_module_params());
gwy_synth_sanitise_params(args.params, PARAM_DIMS0, args.field);
if (runtype == GWY_RUN_INTERACTIVE) {
outcome = run_gui(&args, data, id);
gwy_params_save_to_settings(args.params);
if (outcome == GWY_DIALOG_CANCEL)
goto end;
}
if (outcome == GWY_DIALOG_PROCEED) {
GWY_OBJECT_UNREF(args.result);
args.result = gwy_synth_make_result_data_field(args.field, args.params, FALSE);
if (gwy_params_get_boolean(args.params, PARAM_ANIMATED))
gwy_app_wait_preview_data_field(args.result, data, id);
if (!execute(&args, gwy_app_find_window_for_channel(data, id), &ndeposited)) {
if (gwy_app_data_browser_get_gui_enabled() || gwy_app_wait_get_enabled()) {
dialog = gtk_message_dialog_new(gwy_app_find_window_for_channel(data, id),
GTK_DIALOG_DESTROY_WITH_PARENT, GTK_MESSAGE_ERROR, GTK_BUTTONS_CLOSE,
"%s", particle_error(ndeposited));
gtk_dialog_run(GTK_DIALOG(dialog));
gtk_widget_destroy(dialog);
}
goto end;
}
}
gwy_synth_add_result_to_file(args.result, data, id, args.params);
end:
GWY_OBJECT_UNREF(args.result);
g_object_unref(args.params);
}
static GwyDialogOutcome
run_gui(ModuleArgs *args, GwyContainer *data, gint id)
{
GwyDialogOutcome outcome;
GwyDialog *dialog;
GtkWidget *hbox;
GtkNotebook *notebook;
ModuleGUI gui;
gwy_clear(&gui, 1);
gui.args = args;
gui.template_ = args->field;
args->result = gwy_synth_make_result_data_field(args->field, args->params, TRUE);
gui.data = gwy_container_new();
gwy_container_set_object(gui.data, gwy_app_get_data_key_for_id(0), args->result);
if (gui.template_)
gwy_app_sync_data_items(data, gui.data, id, 0, FALSE, GWY_DATA_ITEM_GRADIENT, 0);
gui.dialog = gwy_dialog_new(_("Particle Generation"));
dialog = GWY_DIALOG(gui.dialog);
gwy_dialog_add_buttons(dialog, GWY_RESPONSE_UPDATE, GWY_RESPONSE_RESET, GTK_RESPONSE_CANCEL, GTK_RESPONSE_OK, 0);
gui.dataview = gwy_create_preview(gui.data, 0, PREVIEW_SIZE, FALSE);
hbox = gwy_create_dialog_preview_hbox(GTK_DIALOG(dialog), GWY_DATA_VIEW(gui.dataview), FALSE);
notebook = GTK_NOTEBOOK(gtk_notebook_new());
gtk_box_pack_start(GTK_BOX(hbox), GTK_WIDGET(notebook), TRUE, TRUE, 0);
gtk_notebook_append_page(notebook, dimensions_tab_new(&gui), gtk_label_new(_("Dimensions")));
gtk_notebook_append_page(notebook, generator_tab_new(&gui), gtk_label_new(_("Generator")));
gwy_param_active_page_link_to_notebook(args->params, PARAM_ACTIVE_PAGE, notebook);
g_signal_connect_swapped(gui.table_dimensions, "param-changed", G_CALLBACK(param_changed), &gui);
g_signal_connect_swapped(gui.table_generator, "param-changed", G_CALLBACK(param_changed), &gui);
g_signal_connect_swapped(dialog, "response", G_CALLBACK(dialog_response), &gui);
gwy_dialog_set_preview_func(dialog, GWY_PREVIEW_UPON_REQUEST, preview, &gui, NULL);
outcome = gwy_dialog_run(dialog);
g_object_unref(gui.data);
return outcome;
}
static GtkWidget*
dimensions_tab_new(ModuleGUI *gui)
{
gui->table_dimensions = gwy_param_table_new(gui->args->params);
gwy_synth_append_dimensions_to_param_table(gui->table_dimensions, GWY_SYNTH_FIXED_ZUNIT);
gwy_dialog_add_param_table(GWY_DIALOG(gui->dialog), gui->table_dimensions);
return gwy_param_table_widget(gui->table_dimensions);
}
static GtkWidget*
generator_tab_new(ModuleGUI *gui)
{
GwyParamTable *table;
table = gui->table_generator = gwy_param_table_new(gui->args->params);
gwy_param_table_append_header(table, -1, _("Particle Generation"));
gwy_param_table_append_slider(table, PARAM_SIZE);
gwy_param_table_slider_add_alt(table, PARAM_SIZE);
gwy_param_table_slider_set_mapping(table, PARAM_SIZE, GWY_SCALE_MAPPING_LOG);
gwy_param_table_append_slider(table, PARAM_SIZE_NOISE);
gwy_param_table_append_slider(table, PARAM_COVERAGE);
gwy_param_table_append_info(table, INFO_COVERAGE_OBJECTS, _("Number of objects"));
gwy_param_table_append_separator(table);
gwy_param_table_append_slider(table, PARAM_REVISE);
gwy_param_table_slider_set_mapping(table, PARAM_SIZE, GWY_SCALE_MAPPING_SQRT);
gwy_param_table_append_separator(table);
gwy_param_table_append_message(table, INFO_OBJECTS, NULL);
gwy_param_table_append_header(table, -1, _("Options"));
gwy_param_table_append_seed(table, PARAM_SEED);
gwy_param_table_append_checkbox(table, PARAM_RANDOMIZE);
gwy_param_table_append_separator(table);
gwy_param_table_append_checkbox(table, PARAM_ANIMATED);
gwy_dialog_add_param_table(GWY_DIALOG(gui->dialog), table);
return gwy_param_table_widget(table);
}
static void
param_changed(ModuleGUI *gui, gint id)
{
GwyParamTable *table = gui->table_generator;
if (gwy_synth_handle_param_changed(gui->table_dimensions, id))
id = -1;
if (id < 0
|| id == PARAM_DIMS0 + GWY_DIMS_PARAM_XYUNIT
|| id == PARAM_DIMS0 + GWY_DIMS_PARAM_XRES
|| id == PARAM_DIMS0 + GWY_DIMS_PARAM_XREAL) {
static const gint xyids[] = { PARAM_SIZE };
gwy_synth_update_lateral_alts(table, xyids, G_N_ELEMENTS(xyids));
}
if (id < 0
|| id == PARAM_COVERAGE
|| id == PARAM_SIZE
|| id == PARAM_SIZE_NOISE
|| id == PARAM_DIMS0 + GWY_DIMS_PARAM_XRES
|| id == PARAM_DIMS0 + GWY_DIMS_PARAM_YRES
|| id == PARAM_DIMS0 + GWY_DIMS_PARAM_XREAL
|| id == PARAM_DIMS0 + GWY_DIMS_PARAM_YREAL) {
gint nparticles = calculate_n_objects(gui->args);
gchar *s;
if (nparticles > 0) {
s = g_strdup_printf("%d", nparticles);
gwy_param_table_info_set_valuestr(gui->table_generator, INFO_COVERAGE_OBJECTS, s);
g_free(s);
gwy_param_table_set_label(gui->table_generator, INFO_OBJECTS, " ");
gwy_param_table_message_set_type(gui->table_generator, INFO_OBJECTS, GTK_MESSAGE_INFO);
}
else {
gwy_param_table_info_set_valuestr(gui->table_generator, INFO_COVERAGE_OBJECTS, "0");
gwy_param_table_set_label(gui->table_generator, INFO_OBJECTS, particle_error(nparticles));
gwy_param_table_message_set_type(gui->table_generator, INFO_OBJECTS, GTK_MESSAGE_WARNING);
}
}
if ((id < PARAM_DIMS0 || id == PARAM_DIMS0 + GWY_DIMS_PARAM_INITIALIZE)
&& id != PARAM_ANIMATED && id != PARAM_RANDOMIZE)
gwy_dialog_invalidate(GWY_DIALOG(gui->dialog));
}
static void
dialog_response(ModuleGUI *gui, gint response)
{
if (response == GWY_RESPONSE_SYNTH_TAKE_DIMS)
gwy_synth_use_dimensions_template(gui->table_dimensions);
}
static void
preview(gpointer user_data)
{
ModuleGUI *gui = (ModuleGUI*)user_data;
ModuleArgs *args = gui->args;
GwyDataField *tmp;
gint ndeposited, nparticles;
gchar *message;
/* Update preview size for the full result data field. Do it immediately because the preview can be animated. */
tmp = gwy_synth_make_result_data_field(args->field, args->params, TRUE);
gwy_data_field_assign(args->result, tmp);
g_object_unref(tmp);
gwy_data_field_data_changed(args->result);
gwy_set_data_preview_size(GWY_DATA_VIEW(gui->dataview), PREVIEW_SIZE);
nparticles = calculate_n_objects(args);
if (execute(gui->args, GTK_WINDOW(gui->dialog), &ndeposited)) {
gwy_data_field_data_changed(args->result);
gwy_dialog_have_result(GWY_DIALOG(gui->dialog));
if (ndeposited < nparticles) {
message = g_strdup_printf(_("Only %d particles were deposited. Try more revise steps."), ndeposited);
gwy_param_table_set_label(gui->table_generator, INFO_OBJECTS, message);
g_free(message);
}
else
gwy_param_table_set_label(gui->table_generator, INFO_OBJECTS, " ");
gwy_param_table_message_set_type(gui->table_generator, INFO_OBJECTS, GTK_MESSAGE_INFO);
}
else {
gwy_param_table_set_label(gui->table_generator, INFO_OBJECTS, particle_error(ndeposited));
gwy_param_table_message_set_type(gui->table_generator, INFO_OBJECTS, GTK_MESSAGE_WARNING);
}
}
static void
showit(GwyDataField *result, gdouble *rdisizes, const GwyXYZ *r, gint ndeposited, gint add)
{
gdouble *data;
gint xres, yres, i, m, n, xi, yi, k;
gdouble sum, xreal, yreal;
gint disize;
data = gwy_data_field_get_data(result);
xres = gwy_data_field_get_xres(result);
yres = gwy_data_field_get_yres(result);
xreal = gwy_data_field_get_xreal(result);
yreal = gwy_data_field_get_yreal(result);
for (i = 0; i < ndeposited; i++) {
/* Since r[] are positions in the extended data field, we must consider origin to be (add, add) when rendering
* the particles and hence subtract it from m and n. */
xi = xres*(r[i].x/xreal) - add;
yi = yres*(r[i].y/yreal) - add;
/* Skip particles too high above the sruface (why exactly?). */
if (r[i].z > data[CLAMP(yi, 0, yres-1)*xres + CLAMP(xi, 0, xres-1)] + 6*rdisizes[i])
continue;
disize = (gint)(xres*rdisizes[i]/xreal);
for (m = xi-disize; m < xi+disize; m++) {
if (m < 0 || m >= xres)
continue;
for (n = yi-disize; n < yi+disize; n++) {
if (n < 0 || n >= yres)
continue;
if ((sum = (disize*disize - (xi-m)*(xi-m) - (yi-n)*(yi-n))) > 0) {
k = n*xres + m;
data[k] = fmax(data[k], r[i].z + sqrt(sum)*xreal/xres);
}
}
}
}
}
/* Gradient of Lennard–Jones potential between two particles*/
static inline void
lj_potential_grad_spheres(gdouble ax, gdouble ay, gdouble az, gdouble bx, gdouble by, gdouble bz,
gdouble asize, gdouble bsize,
GwyXYZ *f)
{
gdouble sigma = 0.82*(asize + bsize);
gdouble dx = ax - bx, dy = ay - by, dz = az - bz;
gdouble dist2 = dx*dx + dy*dy + dz*dz;
gdouble s2 = sigma*sigma, s4, s6, s12, d4, d8, d14, c;
if (asize <= 0.0 || bsize <= 0.0 || dist2 <= 0.1*s2)
return;
s4 = s2*s2;
s6 = s4*s2;
s12 = s6*s6;
d4 = dist2*dist2;
d8 = d4*d4;
d14 = d8*d4*dist2;
/* Gradient of Lennard–Jones potential corrected for particle size (σ⁶/d⁶ - σ¹²/d¹²). */
c = asize*2e-5 * 6*(s6/d8 - 2*s12/d14);
f->x += dx*c;
f->y += dy*c;
f->z += dz*c;
}
/* Integrate over some volume around particle (ax, ay, az), if there is substrate, add this to potential. */
static inline gdouble
integrate_lj_substrate(const gdouble *zldata, gint xres, gint yres, gdouble dx, gdouble dy,
gdouble ax, gdouble ay, gdouble az, gdouble size)
{
/*make l-j only from idealistic substrate now*/
gdouble zval, sigma, dist;
gint i, j;
sigma = 1.2*size; //empiric
j = CLAMP((gint)(ax/dx), 0, xres-1);
i = CLAMP((gint)(ay/dy), 0, yres-1);
zval = zldata[i*xres + j];
dist = fabs(az - zval);
dist = MAX(dist, size/100);
if (size > 0.0) {
gdouble s2 = sigma*sigma, s4 = s2*s2, s6 = s4*s2, s12 = s6*s6;
gdouble d3 = dist*dist*dist, d9 = d3*d3*d3;
return size*2.0e-3*(s12/d9/45.0 - s6/d3/6.0); //corrected for particle size
}
return 0;
}
static gboolean
try_to_add_particle(GwyXYZ *r, gdouble *rdisizes, gint ndeposited,
const gdouble *zldata, gint xres, gint yres,
gdouble dx, gdouble dy,
gdouble size, gdouble size_noise,
GRand *rng_pos, GwyRandGenSet *rngset)
{
GwyXYZ rnew;
gdouble disize;
gint xpos, ypos, k;
size += gwy_rand_gen_set_gaussian(rngset, 0, size_noise);
size = fmax(size, size/100.0);
disize = size/dx;
xpos = g_rand_int_range(rng_pos, (gint)disize, xres - 2*(gint)disize);
ypos = g_rand_int_range(rng_pos, (gint)disize, yres - 2*(gint)disize);
xpos = CLAMP(xpos, 0, xres-1);
ypos = CLAMP(ypos, 0, yres-1);
/* XXX: So here we obviously interpret positions r[] in the extended data field. */
rnew.x = xpos*dx;
rnew.y = ypos*dy;
rnew.z = zldata[ypos*xres + xpos] + size;
for (k = 0; k < ndeposited; k++) {
gdouble dxk = rnew.x - r[k].x, dyk = rnew.y - r[k].y, dzk = rnew.z - r[k].z;
if (dxk*dxk + dyk*dyk + dzk*dzk < 4.0*size*size)
return FALSE;
}
rdisizes[ndeposited] = size;
r[ndeposited].x = rnew.x;
r[ndeposited].y = rnew.y;
r[ndeposited].z = rnew.z;
return TRUE;
}
static inline void
update_x_v_a(gdouble *x, gdouble *v, gdouble *a, gdouble f, gdouble dt, gdouble m)
{
*x += (*v)*dt + 0.5*(*a)*dt*dt;
*v += 0.5*(*a)*dt;
*a = f/m;
*v += 0.5*(*a)*dt;
*v *= 0.9;
if (fabs(*v) > 0.01)
*v = 0.0;
}
static gboolean
execute(ModuleArgs *args, GtkWindow *wait_window, gint *pndeposited)
{
GwyParams *params = args->params;
gboolean do_initialise = gwy_params_get_boolean(params, PARAM_DIMS0 + GWY_DIMS_PARAM_INITIALIZE);
gdouble size = gwy_params_get_double(params, PARAM_SIZE);
gdouble size_noise = gwy_params_get_double(params, PARAM_SIZE_NOISE);
gboolean animated = gwy_params_get_boolean(params, PARAM_ANIMATED);
gint revise = gwy_params_get_int(params, PARAM_REVISE);
guint32 seed = gwy_params_get_int(params, PARAM_SEED);
GwyDataField *field = args->field, *result = args->result;
GwyDataField *extfield;
GwyRandGenSet *rngset;
GRand *rng;
gint xres, yres, oxres, oyres, add;
gint nparticles, ndeposited, steps;
gdouble xreal, yreal, diff, dx, dy;
gdouble *rdisizes = NULL, *extdata;
GwyXYZ *r = NULL, *v = NULL, *a = NULL, *f = NULL;
gint i, k, nloc, maxloc = 1, maxsteps = 10000;
gdouble preview_time = (animated ? 1.25 : 0.0);
gdouble norm;
GTimer *timer;
gboolean finished = FALSE;
if ((nparticles = calculate_n_objects(args)) < 0) {
*pndeposited = nparticles;
return FALSE;
}
timer = g_timer_new();
gwy_synth_update_progress(NULL, 0, 0, 0);
gwy_app_wait_start(wait_window, _("Initializing..."));
/* Here we expect args->result to be the full-sized result data field. The caller is responsible for that. */
if (do_initialise && field)
gwy_data_field_copy(field, result, FALSE);
else
gwy_data_field_clear(result);
oxres = gwy_data_field_get_xres(result);
oyres = gwy_data_field_get_yres(result);
dx = gwy_data_field_get_dx(result);
dy = gwy_data_field_get_dy(result);
add = CLAMP(size + size_noise, 0, oxres/4);
rngset = gwy_rand_gen_set_new(2);
gwy_rand_gen_set_init(rngset, seed);
rng = gwy_rand_gen_set_rng(rngset, 1);
/* Renormalize everything for field size 1×1 (not pixel units!), including z. Change parameters of potentials. */
norm = 1.0/gwy_data_field_get_xreal(result);
gwy_data_field_multiply(result, norm);
gwy_data_field_set_xreal(result, gwy_data_field_get_xreal(result)*norm);
gwy_data_field_set_yreal(result, gwy_data_field_get_yreal(result)*norm);
size /= oxres;
size_noise /= oxres;
/* Now everything is normalized to be close to 1. */
extfield = gwy_data_field_extend(result, add, add, add, add, GWY_EXTERIOR_MIRROR_EXTEND, 0.0, FALSE);
xres = gwy_data_field_get_xres(extfield);
yres = gwy_data_field_get_yres(extfield);
xreal = gwy_data_field_get_xreal(extfield);
yreal = gwy_data_field_get_yreal(extfield);
dx = xreal/xres;
dy = yreal/yres;
diff = 0.1*dx;
extdata = gwy_data_field_get_data(extfield);
rdisizes = g_new(gdouble, nparticles);
r = g_new(GwyXYZ, nparticles);
v = g_new0(GwyXYZ, nparticles);
a = g_new0(GwyXYZ, nparticles);
f = g_new(GwyXYZ, nparticles);
ndeposited = steps = 0;
if (!gwy_app_wait_set_message(_("Initial particle set...")))
goto end;
while (ndeposited < nparticles && steps < maxsteps) {
if (try_to_add_particle(r, rdisizes, ndeposited, extdata, xres, yres, dx, dy, size, size_noise, rng, rngset))
ndeposited++;
steps++;
};
gwy_data_field_area_copy(extfield, result, add, add, oxres, oyres, 0, 0);
showit(result, rdisizes, r, ndeposited, add);
gwy_data_field_data_changed(result);
/*revise steps*/
if (!gwy_app_wait_set_message("Running revise..."))
goto end;
for (i = 0; i < revise; i++) {
/* Try to add some particles if necessary, do this only for first part of molecular dynamics steps. */
if (ndeposited < nparticles && i < 3*revise/4) {
nloc = 0;
while (ndeposited < nparticles && nloc < maxloc) {
if (try_to_add_particle(r, rdisizes, ndeposited, extdata, xres, yres, dx, dy, size, size_noise,
rng, rngset))
ndeposited++;
nloc++;
};
}
/* test succesive LJ steps on substrate */
#ifdef _OPENMP
#pragma omp parallel for if (gwy_threads_are_enabled()) default(none) \
private(k) \
shared(r,f,ndeposited,rdisizes,diff,extdata,xres,yres,dx,dy)
#endif
for (k = 0; k < ndeposited; k++) {
gdouble rxk = r[k].x, ryk = r[k].y, rzk = r[k].z, sizek = rdisizes[k];
GwyXYZ fk = { 0.0, 0.0, 0.0 };
gint m;
if (rxk/dx < 0.0 || rxk/dx >= xres || ryk/dy < 0.0 || ryk/dy >= yres) {
f[k] = fk;
continue;
}
/* Forces from other particles. */
for (m = 0; m < ndeposited; m++) {
if (m != k)
lj_potential_grad_spheres(r[m].x, r[m].y, r[m].z, rxk, ryk, rzk, sizek, rdisizes[m], &fk);
}
/* Force from substracte.
* FIXME: This one is strange and cannot be differentiated exactly until the rounding is replaced by some
* continous surface height interpolation. */
fk.x -= (integrate_lj_substrate(extdata, xres, yres, dx, dy, rxk+diff, ryk, rzk, sizek)
- integrate_lj_substrate(extdata, xres, yres, dx, dy, rxk-diff, ryk, rzk, sizek))/2/diff;
fk.y -= (integrate_lj_substrate(extdata, xres, yres, dx, dy, rxk, ryk-diff, rzk, sizek)
- integrate_lj_substrate(extdata, xres, yres, dx, dy, rxk, ryk+diff, rzk, sizek))/2/diff;
fk.z -= (integrate_lj_substrate(extdata, xres, yres, dx, dy, rxk, ryk, rzk+diff, sizek)
- integrate_lj_substrate(extdata, xres, yres, dx, dy, rxk, ryk, rzk-diff, sizek))/2/diff;
f[k] = fk;
}
#ifdef _OPENMP
#pragma omp parallel for if (gwy_threads_are_enabled()) default(none) \
private(k) \
shared(r,v,a,f,ndeposited,rdisizes,xres,yres,dx,dy,xreal,yreal)
#endif
for (k = 0; k < ndeposited; k++) {
const gdouble mass = 1.0, timestep = 0.5;
GwyXYZ rk = r[k], vk = v[k], ak = a[k];
gdouble sizek = rdisizes[k];
if (rk.x/dx < 0.0 || rk.x/dx >= xres || rk.y/dy < 0.0 || rk.y/dy >= yres)
continue;
/* Move all particles. */
update_x_v_a(&rk.x, &vk.x, &ak.x, f[k].x, timestep, mass);
r[k].x = fmax(fmin(rk.x, xreal-sizek), sizek);
update_x_v_a(&rk.y, &vk.y, &ak.y, f[k].y, timestep, mass);
r[k].y = fmax(fmin(rk.y, yreal-sizek), sizek);
update_x_v_a(&rk.z, &vk.z, &ak.z, f[k].z, timestep, mass);
r[k].z = rk.z;
v[k] = vk;
a[k] = ak;
}
if (i % 100 == 99) {
GwySynthUpdateType update = gwy_synth_update_progress(timer, preview_time, i, revise);
if (update == GWY_SYNTH_UPDATE_CANCELLED)
goto end;
if (update == GWY_SYNTH_UPDATE_DO_PREVIEW) {
gwy_data_field_area_copy(extfield, result, add, add, oxres, oyres, 0, 0);
showit(result, rdisizes, r, ndeposited, add);
gwy_data_field_data_changed(result);
}
}
}
finished = TRUE;
end:
gwy_app_wait_finish();
if (pndeposited)
*pndeposited = ndeposited;
g_timer_destroy(timer);
g_free(rdisizes);
g_free(r);
g_free(v);
g_free(a);
g_free(f);
gwy_rand_gen_set_free(rngset);
if (finished) {
gwy_data_field_area_copy(extfield, result, add, add, oxres, oyres, 0, 0);
showit(result, rdisizes, r, ndeposited, add);
}
g_object_unref(extfield);
/* Denormalize the result back. */
gwy_data_field_multiply(result, 1.0/norm);
gwy_data_field_set_xreal(result, gwy_data_field_get_xreal(result)/norm);
gwy_data_field_set_yreal(result, gwy_data_field_get_yreal(result)/norm);
return finished;
}
static gint
calculate_n_objects(ModuleArgs *args)
{
GwyParams *params = args->params;
gdouble size = gwy_params_get_double(params, PARAM_SIZE);
gdouble size_noise = gwy_params_get_double(params, PARAM_SIZE_NOISE);
gdouble coverage = gwy_params_get_double(params, PARAM_COVERAGE);
gint xres, yres, add, nparticles;
if (gwy_params_get_boolean(params, PARAM_DIMS0 + GWY_DIMS_PARAM_INITIALIZE) && args->field) {
xres = gwy_data_field_get_xres(args->field);
yres = gwy_data_field_get_yres(args->field);
}
else {
xres = gwy_params_get_int(params, PARAM_DIMS0 + GWY_DIMS_PARAM_XRES);
yres = gwy_params_get_int(params, PARAM_DIMS0 + GWY_DIMS_PARAM_YRES);
}
add = CLAMP((size + size_noise), 0, xres/4);
nparticles = GWY_ROUND(coverage * (xres + 2*add)*(yres + 2*add)/(G_PI*size*size));
if (nparticles <= 0)
return RES_TOO_FEW;
if (nparticles > MAXN)
return RES_TOO_MANY;
/* FIXME: Should be prevented by minimum value of size being 1 pixel. */
if (size < 0.5)
return RES_TOO_SMALL;
if (size > 0.25*MIN(xres, yres))
return RES_TOO_LARGE;
return nparticles;
}
static const gchar*
particle_error(gint code)
{
static const GwyEnum errors[] = {
{ N_("Error: too many particles."), RES_TOO_MANY, },
{ N_("Error: no particles."), RES_TOO_FEW, },
{ N_("Error: particles too large."), RES_TOO_LARGE, },
{ N_("Error: particles too small."), RES_TOO_SMALL, },
};
return _(gwy_enum_to_string(code, errors, G_N_ELEMENTS(errors)));
}
/* vim: set cin columns=120 tw=118 et ts=4 sw=4 cino=>1s,e0,n0,f0,{0,}0,^0,\:1s,=0,g1s,h0,t0,+1s,c3,(0,u0 : */
|