void gui_animate_dialog(void)
{
gpointer dialog;
GtkWidget *window, *main_vbox, *table, *vbox, *hbox;
GtkWidget *notebook, *page, *label, *entry, *scale;
GList *list;
/* prevent recording whilst in animation */
gui_mode_switch(FREE);
/* dialog setup */
dialog = dialog_request(ANIM, "Animation and Rendering", NULL, NULL, NULL);
if (!dialog)
return;
window = dialog_window(dialog);
gtk_widget_set_size_request(window, 350, -1);
/* notebook frame */
main_vbox = gtk_vbox_new(FALSE, PANEL_SPACING);
gtk_container_add(GTK_CONTAINER(GTK_DIALOG(window)->vbox), main_vbox);
/* create notebook */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, main_vbox);
notebook = gtk_notebook_new();
gtk_box_pack_start(GTK_BOX(vbox),notebook,FALSE,TRUE,0);
gtk_notebook_set_tab_pos(GTK_NOTEBOOK(notebook), GTK_POS_TOP);
gtk_notebook_set_show_border(GTK_NOTEBOOK(notebook), TRUE);
/* page */
page = gtk_vbox_new(FALSE, PANEL_SPACING);
label = gtk_label_new("Control");
gtk_notebook_append_page(GTK_NOTEBOOK(notebook), page, label);
vbox = gtk_vbox_new(FALSE, PANEL_SPACING);
gtk_box_pack_start(GTK_BOX(page),vbox,FALSE,FALSE,0);
/* format pulldown */
animate_phonons=FALSE;
list = NULL;
list = g_list_append(list, "Frames");
list = g_list_append(list, "Phonons");
hbox = gtk_hbox_new(FALSE, 0);
label = gtk_label_new("Display ");
gtk_box_pack_start(GTK_BOX(hbox),label,FALSE,FALSE,0);
entry = gui_pulldown_new(NULL, list, 0, hbox);
g_list_free(list);
g_signal_connect(GTK_OBJECT(entry), "changed",
GTK_SIGNAL_FUNC(gui_animate_type_change), (gpointer) entry);
gtk_box_pack_start(GTK_BOX(vbox),hbox,FALSE,FALSE,0);
/* phonon options */
box_phonon_options = gtk_vbox_new(FALSE, PANEL_SPACING);
gtk_box_pack_start(GTK_BOX(vbox),box_phonon_options,FALSE,FALSE,0);
gui_direct_spin("Phonon scaling ", &sysenv.render.phonon_scaling,
0.1, 9.9, 0.1, NULL, NULL, box_phonon_options);
gui_direct_spin("Phonon resolution ", &sysenv.render.phonon_resolution,
10.0, 100.0, 1.0, NULL, NULL, box_phonon_options);
gtk_box_pack_start(GTK_BOX(vbox), gtk_hseparator_new(), FALSE, FALSE, 0);
/* CURRENT - FPS */
gui_direct_spin("Apparent FPS for animation ", &gui_animate_fps, 1, 50, 1, NULL, NULL, vbox);
/* connectivity options */
gui_direct_check("Recalculate connectivity", &sysenv.render.connect_redo, NULL, NULL, vbox);
/*
gui_checkbox("Don't recalculate scale", NULL, vbox);
gui_checkbox("Loop", NULL, vbox);
*/
/* actions at start of each cycle */
/*
new_radio_group(0, vbox, FF);
button = add_radio_button("Confine atoms to PBC", (gpointer) atom_pbc, data);
if (data->anim_confine == PBC_CONFINE_ATOMS)
gtk_toggle_button_set_active(GTK_TOGGLE_BUTTON(button), TRUE);
button = add_radio_button("Confine mols to PBC", (gpointer) mol_pbc, data);
if (data->anim_confine == PBC_CONFINE_MOLS)
gtk_toggle_button_set_active(GTK_TOGGLE_BUTTON(button), TRUE);
button = add_radio_button("Cell confinement off", (gpointer) no_pbc, data);
if (data->anim_confine == PBC_CONFINE_NONE)
gtk_toggle_button_set_active(GTK_TOGGLE_BUTTON(button), TRUE);
*/
/* page */
page = gtk_vbox_new(FALSE, PANEL_SPACING);
label = gtk_label_new("Render");
gtk_notebook_append_page(GTK_NOTEBOOK(notebook), page, label);
vbox = gtk_vbox_new(FALSE, PANEL_SPACING);
gtk_box_pack_start(GTK_BOX(page),vbox,FALSE,FALSE,0);
gui_direct_spin("Width", &sysenv.render.width, 100, 2000, 100, NULL, NULL, vbox);
gui_direct_spin("Height", &sysenv.render.height, 100, 2000, 100, NULL, NULL, vbox);
gtk_box_pack_start(GTK_BOX(vbox), gtk_hseparator_new(), FALSE, FALSE, 0);
gui_direct_check("Shadowless", &sysenv.render.shadowless, NULL, NULL, vbox);
gui_direct_check("Create povray input then stop", &sysenv.render.no_povray_exec, NULL, NULL, vbox);
gui_direct_check("Cleanup temporary files", &sysenv.render.no_keep_tempfiles, NULL, NULL, vbox);
hbox = gtk_hbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(vbox),hbox,FALSE,FALSE,0);
gui_button(" Render ", gui_animate_render, NULL, hbox, TF);
/* page */
page = gtk_vbox_new(FALSE, PANEL_SPACING);
label = gtk_label_new("Movie");
gtk_notebook_append_page(GTK_NOTEBOOK(notebook), page, label);
vbox = gtk_vbox_new(FALSE, PANEL_SPACING);
gtk_box_pack_start(GTK_BOX(page),vbox,FALSE,FALSE,0);
table = gtk_table_new(4, 4, FALSE);
gtk_box_pack_start(GTK_BOX(vbox),table,FALSE,FALSE,0);
/* name label */
label = gtk_label_new("Filename");
gtk_table_attach_defaults(GTK_TABLE(table),label,0,1,0,1);
/* name entry */
/*
entry = gtk_entry_new();
gtk_entry_set_text(GTK_ENTRY(entry), sysenv.render.animate_file);
*/
entry = gui_text_entry(NULL, &sysenv.render.animate_file, TRUE, FALSE, NULL);
gtk_table_attach_defaults(GTK_TABLE(table),entry,1,2,0,1);
/* format label */
label = gtk_label_new("Format");
gtk_table_attach_defaults(GTK_TABLE(table),label,0,1,1,2);
/* format pulldown */
list=NULL;
list = g_list_append(list, "mpg");
list = g_list_append(list, "mp4");
list = g_list_append(list, "flv");
list = g_list_append(list, "avi");
hbox = gtk_hbox_new(FALSE, 0);
entry_movie_type = gui_pulldown_new(NULL, list, 0, hbox);
g_list_free(list);
g_signal_connect(GTK_OBJECT(entry_movie_type), "changed",
GTK_SIGNAL_FUNC(gui_animate_movie_type_change), (gpointer) entry);
gtk_table_attach_defaults(GTK_TABLE(table),hbox,1,2,1,2);
/* update hook */
g_signal_connect(GTK_OBJECT(entry), "changed",
GTK_SIGNAL_FUNC(event_render_modify), (gpointer) entry);
g_object_set_data(G_OBJECT(entry), "id", (gpointer) ANIM_NAME);
hbox = gtk_hbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(vbox),hbox,FALSE,FALSE,0);
gui_button(" Create ", gui_animate_movie, NULL, hbox, TF);
/* slider for current frame */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, main_vbox);
scale = gtk_hscale_new_with_range(1.0, 100.0, 1.0);
gtk_range_set_update_policy(GTK_RANGE(scale), GTK_UPDATE_CONTINUOUS);
gtk_box_pack_start(GTK_BOX(vbox), scale, TRUE, TRUE, 0);
g_signal_connect(GTK_OBJECT(scale), "value_changed",
GTK_SIGNAL_FUNC(gui_animate_frame_select), NULL);
gtk_scale_set_draw_value(GTK_SCALE(scale), FALSE);
/* animation limits */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, main_vbox);
gui_text_entry("First ", &entry_frame_start, TRUE, FALSE, vbox);
gui_text_entry("Last ", &entry_frame_stop, TRUE, FALSE, vbox);
gui_text_entry("Step ", &entry_frame_step, TRUE, FALSE, vbox);
/* control buttons */
hbox = gtk_hbox_new(TRUE, PANEL_SPACING);
gtk_box_pack_start(GTK_BOX(main_vbox), hbox, FALSE, FALSE, 0);
gui_icon_button("GDIS_REWIND", NULL,
gui_animate_first, NULL,
hbox);
gui_icon_button("GDIS_STEP_BACKWARD", NULL,
gui_animate_back, NULL,
hbox);
gui_icon_button("GDIS_PLAY", NULL,
gui_animate_play, NULL,
hbox);
gui_icon_button("GDIS_PAUSE", NULL,
gui_animate_stop, NULL,
hbox);
gui_icon_button("GDIS_STEP_FORWARD", NULL,
gui_animate_next, NULL,
hbox);
gui_icon_button("GDIS_FASTFORWARD", NULL,
gui_animate_last, NULL,
hbox);
gui_stock_button(GTK_STOCK_HELP, gui_help_show, "Animation and Rendering", GTK_DIALOG(window)->action_area);
/* terminating button */
gui_stock_button(GTK_STOCK_CLOSE, dialog_destroy, dialog,
GTK_DIALOG(window)->action_area);
/* display the dialog */
gtk_widget_show_all(window);
gtk_widget_hide(box_phonon_options);
}
/* TODO - separate widget from config so it can be re-used */
void gui_siesta_widget(GtkWidget *box, gpointer config)
{
gchar *text;
GSList *list, *list1;
GtkWidget *notebook, *vbox, *hbox, *label, *textbox;
GtkWidget *page, *left, *right;
struct siesta_pak *siesta;
g_assert(box != NULL);
g_assert(config != NULL);
siesta = config_data(config);
/* true false (default) list */
list1 = NULL;
list1 = g_slist_prepend(list1, "False");
list1 = g_slist_prepend(list1, "True");
list1 = g_slist_prepend(list1, "");
/* build widget */
notebook = gtk_notebook_new();
gtk_container_add(GTK_CONTAINER(box), notebook);
/* file write page */
page = gtk_vbox_new(FALSE, 0);
label = gtk_label_new(" File I/O ");
gtk_notebook_append_page(GTK_NOTEBOOK(notebook), page, label);
vbox = gui_frame_vbox(NULL, FALSE, FALSE, page);
gui_text_entry("System Label ", &siesta->system_label, TRUE, TRUE, vbox);
/*
vbox = gui_frame_vbox("Mesh potential", FALSE, FALSE, page);
gui_text_entry("Density of states ", &siesta->density_of_states, TRUE, FALSE, vbox);
gui_text_entry("Density on mesh ", &siesta->density_on_mesh, TRUE, FALSE, vbox);
gui_text_entry("Electrostatic pot on mesh ", &siesta->electrostatic_pot_on_mesh, TRUE, FALSE, vbox);
*/
hbox = gui_frame_hbox(NULL, FALSE, FALSE, page);
left = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), left, TRUE, TRUE, 0);
right = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), right, TRUE, TRUE, 0);
/* left */
gui_pd_new("Use saved data", &siesta->use_saved_data, list1, left);
gui_pd_new("Long output ", &siesta->long_output, list1, left);
gui_pd_new("Write coordinates", &siesta->write_coor_step, list1, left);
gui_pd_new("Write cerius coordinates", &siesta->write_coor_cerius, list1, left);
gui_pd_new("Write xmol coordinates", &siesta->write_coor_xmol, list1, left);
gui_pd_new("Write xmol animation", &siesta->write_md_xmol, list1, left);
gui_pd_new("Write trajectory history", &siesta->write_md_history, list1, left);
gui_pd_new("Write forces", &siesta->write_forces, list1, left);
/* right */
gui_pd_new("Write wavefunctions", &siesta->write_wavefunctions, list1, right);
gui_pd_new("Write density matrix", &siesta->write_dm, list1, right);
gui_pd_new("Write k points", &siesta->write_kpoints, list1, right);
gui_pd_new("Write eigenvalues", &siesta->write_eigenvalues, list1, right);
gui_pd_new("Write k bands", &siesta->write_kbands, list1, right);
gui_pd_new("Write bands", &siesta->write_bands, list1, right);
gui_pd_new("Write Mulliken population", &siesta->write_mullikenpop, list1, right);
/* electronic page */
page = gtk_vbox_new(FALSE, 0);
label = gtk_label_new("Electronic");
gtk_notebook_append_page(GTK_NOTEBOOK(notebook), page, label);
hbox = gtk_hbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(page), hbox, TRUE, TRUE, 0);
left = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), left, TRUE, TRUE, 0);
right = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), right, TRUE, TRUE, 0);
/* basis set */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, left);
list = NULL;
list = g_slist_prepend(list, "nonodes");
list = g_slist_prepend(list, "nodes");
list = g_slist_prepend(list, "splitgauss");
list = g_slist_prepend(list, "split");
list = g_slist_prepend(list, "");
gui_pd_new("Basis type", &siesta->basis_type, list, vbox);
g_slist_free(list);
list = NULL;
list = g_slist_prepend(list, "DZP");
list = g_slist_prepend(list, "SZP");
list = g_slist_prepend(list, "DZ");
list = g_slist_prepend(list, "SZ");
list = g_slist_prepend(list, "");
gui_pd_new("Basis size", &siesta->basis_size, list, vbox);
g_slist_free(list);
/* custom zeta ie %block PAO.basis */
/*
gtk_box_pack_start(GTK_BOX(vbox), gtk_hseparator_new(), FALSE, FALSE, 0);
gui_text_entry("Zeta level ", &siesta->custom_zeta, TRUE, FALSE, vbox);
gui_text_entry("Polarisation level ", &siesta->custom_zeta_polarisation, TRUE, FALSE, vbox);
*/
/* functional */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, left);
list = NULL;
list = g_slist_prepend(list, "LDA");
list = g_slist_prepend(list, "GGA");
list = g_slist_prepend(list, "");
gui_pd_new("X-C functional", &siesta->xc_functional, list, vbox);
g_slist_free(list);
list = NULL;
list = g_slist_prepend(list, "LYP");
list = g_slist_prepend(list, "RPBE");
list = g_slist_prepend(list, "revPBE");
list = g_slist_prepend(list, "PBE");
list = g_slist_prepend(list, "PW92");
list = g_slist_prepend(list, "CA");
list = g_slist_prepend(list, "");
gui_pd_new("X-C authors", &siesta->xc_authors, list, vbox);
g_slist_free(list);
gui_pd_new("Harris functional", &siesta->harris_functional, list1, vbox);
/* spin */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, left);
gui_pd_new("Spin polarised", &siesta->spin_polarised, list1, vbox);
gui_pd_new("Non co-linear spin", &siesta->non_collinear_spin, list1, vbox);
gui_pd_new("Fixed spin", &siesta->fixed_spin, list1, vbox);
list = NULL;
list = g_slist_prepend(list, "0.5");
list = g_slist_prepend(list, "1.0");
list = g_slist_prepend(list, "1.5");
list = g_slist_prepend(list, "2.0");
list = g_slist_prepend(list, "");
gui_pd_new("Total spin", &siesta->total_spin, list, vbox);
g_slist_free(list);
gui_pd_new("Single excitation", &siesta->single_excitation, list1, vbox);
/* SCF options */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, right);
gui_text_entry("Number of SCF cycles ", &siesta->no_of_cycles, TRUE, FALSE, vbox);
gui_text_entry("Mixing weight ", &siesta->mixing_weight, TRUE, FALSE, vbox);
gui_text_entry("Number of Pulay matrices ", &siesta->no_of_pulay_matrices, TRUE, FALSE, vbox);
/* other options */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, right);
gui_text_entry("Energy shift (Ryd)", &siesta->energy_shift, TRUE, FALSE, vbox);
gui_text_entry("Split zeta norm", &siesta->split_zeta_norm, TRUE, FALSE, vbox);
gui_text_entry("Mesh cutoff (Ryd)", &siesta->mesh_cutoff, TRUE, FALSE, vbox);
gui_text_entry("kgrid cutoff ", &siesta->kgrid_cutoff, TRUE, FALSE, vbox);
/* speed hacks left/right */
/*
hbox = gtk_hbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(page), hbox, TRUE, TRUE, 0);
left = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), left, TRUE, TRUE, 0);
right = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), right, TRUE, TRUE, 0);
*/
/* speed hacks */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, left);
list = NULL;
list = g_slist_prepend(list, "orderN");
list = g_slist_prepend(list, "diagon");
list = g_slist_prepend(list, "");
gui_pd_new("Solution method", &siesta->solution_method, list, vbox);
g_slist_free(list);
/* NEW */
list = NULL;
list = g_slist_prepend(list, "MP");
list = g_slist_prepend(list, "FD");
list = g_slist_prepend(list, "");
gui_pd_new("Occupation function", &siesta->occupation_function, list, vbox);
g_slist_free(list);
list = NULL;
list = g_slist_prepend(list, "Files");
list = g_slist_prepend(list, "Ordejon-Mauri");
list = g_slist_prepend(list, "Kim");
list = g_slist_prepend(list, "");
gui_pd_new("Order N functional", &siesta->ordern_functional, list, vbox);
g_slist_free(list);
vbox = gui_frame_vbox(NULL, FALSE, FALSE, right);
gui_text_entry("Electronic temperature", &siesta->electronic_temperature, TRUE, FALSE, vbox);
gui_text_entry("Occupation MP order ", &siesta->occupation_mp_order, TRUE, FALSE, vbox);
gui_text_entry("Order N iterations ", &siesta->ordern_iterations, TRUE, FALSE, vbox);
gui_text_entry("Order N energy tolerance ", &siesta->ordern_energy_tolerance, TRUE, FALSE, vbox);
gui_text_entry("Order N eta ", &siesta->ordern_eta, TRUE, FALSE, vbox);
gui_text_entry("Order N eta_alpha ", &siesta->ordern_eta_alpha, TRUE, FALSE, vbox);
gui_text_entry("Order N eta_beta ", &siesta->ordern_eta_beta, TRUE, FALSE, vbox);
/* Run page */
page = gtk_vbox_new(FALSE, 0);
label = gtk_label_new("Geometric");
gtk_notebook_append_page(GTK_NOTEBOOK(notebook), page, label);
/* split pane */
hbox = gtk_hbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(page), hbox, TRUE, TRUE, 0);
left = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), left, TRUE, TRUE, 0);
right = gtk_vbox_new(FALSE, 0);
gtk_box_pack_start(GTK_BOX(hbox), right, TRUE, TRUE, 0);
/* main setup */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, left);
list = NULL;
list = g_slist_prepend(list, "Phonon");
list = g_slist_prepend(list, "FC");
list = g_slist_prepend(list, "Anneal");
list = g_slist_prepend(list, "NoseParrinelloRahman");
list = g_slist_prepend(list, "ParrinelloRahman");
list = g_slist_prepend(list, "Nose");
list = g_slist_prepend(list, "Verlet");
list = g_slist_prepend(list, "Broyden");
list = g_slist_prepend(list, "CG");
list = g_slist_prepend(list, "");
gui_pd_new("Run type", &siesta->md_type_of_run, list, vbox);
g_slist_free(list);
gui_pd_new("Variable cell", &siesta->md_variable_cell, list1, vbox);
/* MD steps */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, left);
gui_text_entry("Initial time step ", &siesta->md_initial_time_step, TRUE, FALSE, vbox);
gui_text_entry("Final time step ", &siesta->md_final_time_step, TRUE, FALSE, vbox);
gui_text_entry("Length of time step ", &siesta->md_length_time_step, TRUE, FALSE, vbox);
/* CG steps */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, left);
gui_text_entry("Max CG steps", &siesta->md_num_cg_steps, TRUE, FALSE, vbox);
gui_text_entry("Max CG displacement", &siesta->md_max_cg_displacement, TRUE, FALSE, vbox);
gui_text_entry("Max force tolerance", &siesta->md_max_force_tol, TRUE, FALSE, vbox);
gui_text_entry("Max stress tolerance", &siesta->md_max_stress_tol, TRUE, FALSE, vbox);
/* temperature */
vbox = gui_frame_vbox(NULL, FALSE, FALSE, right);
gui_text_entry("Initial temperature ", &siesta->md_initial_temperature, TRUE, FALSE, vbox);
gui_text_entry("Target temperature ", &siesta->md_target_temperature,TRUE, FALSE, vbox);
gui_text_entry("Target pressure", &siesta->md_target_pressure, TRUE, FALSE, vbox);
//gui_text_entry("Number of Steps ", &siesta->number_of_steps, TRUE, FALSE, vbox);
/* additional options */
vbox = gui_frame_vbox("Target stress tensor", FALSE, FALSE, right);
gui_text_entry("xx", &siesta->md_target_stress[0], TRUE, FALSE, vbox);
gui_text_entry("yy", &siesta->md_target_stress[1], TRUE, FALSE, vbox);
gui_text_entry("zz", &siesta->md_target_stress[2], TRUE, FALSE, vbox);
gui_text_entry("xy", &siesta->md_target_stress[3], TRUE, FALSE, vbox);
gui_text_entry("xz", &siesta->md_target_stress[4], TRUE, FALSE, vbox);
gui_text_entry("yz", &siesta->md_target_stress[5], TRUE, FALSE, vbox);
//vbox = gui_frame_vbox("Differencing", FALSE, FALSE, geompage);
//gui_direct_spin("Finite Difference step size ", &siesta->finite_diff_step_size, 0.1, 10.0, 0.1, NULL, NULL, vbox);
/* unprocessed lines */
page = gtk_vbox_new(FALSE, 0);
label = gtk_label_new (" Unprocessed ");
gtk_notebook_append_page(GTK_NOTEBOOK(notebook), page, label);
vbox = gui_frame_vbox(NULL, TRUE, TRUE, page);
text = config_unparsed_get(config);
/* FIXME - allowing this to be edited -> core dump */
textbox = gui_text_window(&text, FALSE);
gtk_box_pack_start(GTK_BOX(vbox), textbox, TRUE, TRUE, 0);
/* cleanup */
g_slist_free(list1);
gui_relation_update(NULL);
}
