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atomes 1.2.1
atomes: an atomic scale modeling tool box
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Global variable declarations
Global convenience function declarations
Global data structure definitions.
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#include <glib.h>#include <glib/gi18n.h>#include <locale.h>#include <unistd.h>#include <string.h>#include <stdio.h>#include <stdlib.h>#include <sys/types.h>#include <sys/stat.h>#include <math.h>#include <gtk/gtk.h>#include <gtk/gtkx.h>#include <gdk/gdk.h>#include <gdk/gdkkeysyms.h>#include <gdk-pixbuf/gdk-pixbuf.h>#include <pango/pangoft2.h>#include <epoxy/gl.h>#include <GL/glu.h>#include <epoxy/glx.h>#include "math_3d.h"#include "glwin.h"
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Data Structures | |
| struct | dint |
| struct | tint |
| struct | qint |
| struct | ColRGBA |
| struct | shortcuts |
| struct | atomes_action |
| struct | coord_info |
| struct | line_node |
| struct | coord_file |
| struct | MouseState |
| struct | CurveState |
| struct | DataLayout |
| struct | CurveExtra |
| struct | ExtraSets |
| struct | Curve |
| struct | classical_field |
| struct | thermostat |
| struct | dummy_atom |
| struct | cpmd |
| struct | cp2k |
| struct | molecule |
| struct | model |
| struct | element_data |
| struct | chemical_data |
| struct | insertion_menu |
| struct | atom |
| struct | project |
| struct | workspace |
| struct | focus_data |
Macros | |
| #define | GDK_SYNCHRONIZE |
| #define | GLOBAL_H_ |
| #define | max(a, b) |
| #define | min(a, b) |
| #define | MY_ENCODING "UTF-8" |
| #define | MEDIA_NEXT "media-skip-forward" |
| #define | MEDIA_PREV "media-skip-backward" |
| #define | MEDIA_LAST "go-last" |
| #define | MEDIA_FIRST "go-first" |
| #define | MEDIA_GOTO "go-jump" |
| #define | MEDIA_PLAY "media-playback-start" |
| #define | MEDIA_STOP "media-playback-stop" |
| #define | MEDIA_LOOP "view-refresh" |
| #define | MEDIA_ULOOP "edit-cut" |
| #define | MEDIA_SLOW "view-sort-ascending" |
| #define | MEDIA_FAST "view-sort-descending" |
| #define | GO_RIGHT "go-next" |
| #define | GO_LEFT "go-previous" |
| #define | GO_UP "go-up" |
| #define | GO_DOWN "go-down" |
| #define | PAGE_SETUP "document-page-setup" |
| #define | FULLSCREEN "view-fullscreen" |
| #define | FITBEST "zoom-fit-best" |
| #define | RECORD "media-record" |
| #define | YES "gtk-yes" |
| #define | EDITA "edit-find-replace" |
| #define | EDITC "edit-copy" |
| #define | EDITF "edit-find" |
| #define | ECUT "edit-cut" |
| #define | DPROPERTIES "document-properties" |
| #define | FNEW "document-new" |
| #define | FOPEN "document-open" |
| #define | FSAVE "document-save" |
| #define | FSAVEAS "document-save-as" |
| #define | FCLOSE "window-close" |
| #define | FEXIT "application-exit" |
| #define | LIST_ADD "list-add" |
| #define | LIST_REM "list-remove" |
| #define | CANCEL "process-stop" |
| #define | EXECUTE "system-run" |
| #define | APPLY "gtk-apply" |
| #define | DELETEB "edit-delete" |
| #define | DIAL_ERROR "dialog-error" |
| #define | AFILE "text-x-generic" |
| #define | ABOUT "help-about" |
| #define | BSEP 0 |
| #define | IODEBUG FALSE |
| #define | ATOM_LIMIT 100000 |
| atom number limit to compute fragment(s) and molecule(s) analysis automatically | |
| #define | STEP_LIMIT 10000 |
| #define | OK 0 |
| #define | ERROR_RW 1 |
| #define | ERROR_PROJECT 2 |
| #define | ERROR_CURVE 3 |
| #define | ERROR_IMAGE 4 |
| #define | ERROR_ATOM_A 5 |
| #define | ERROR_ATOM_B 6 |
| #define | ERROR_UPDATE 7 |
| #define | ERROR_NO_WAY 8 |
| #define | ERROR_COORD 9 |
| #define | ERROR_RINGS 10 |
| #define | ERROR_CHAINS 11 |
| #define | ERROR_MOL 12 |
| #define | CHEM_PARAMS 5 |
| #define | CHEM_Z 0 |
| #define | CHEM_M 1 |
| #define | CHEM_R 2 |
| #define | CHEM_N 3 |
| #define | CHEM_X 4 |
| #define | NDOTS 8 |
| #define | NCALCS 12 |
| #define | NGRAPHS 10 |
| #define | NCFORMATS 13 |
| #define | NITEMS 16 |
| #define | OT 4 |
| #define | GR 0 |
| #define | SQ 1 |
| #define | SK 2 |
| #define | GK 3 |
| #define | BD 4 |
| #define | AN 5 |
| #define | RI 6 |
| #define | CH 7 |
| #define | SP 8 |
| #define | MS 9 |
| #define | BV 10 |
| #define | FF 12 |
| #define | DEFAULT_FONT_SIZE 8 |
| #define | DEFAULT_ALPHA 0.75 |
| #define | MINCUT 1.85 |
| #define | LINE_SIZE 160 |
| #define | MAXDATC 8 |
| Number of tabs for the description of the classical calculation. | |
| #define | MAXDATA 21 |
| Number of tabs for the description of the classical force field. | |
Typedefs | |
| typedef struct dint | dint |
| typedef struct tint | tint |
| typedef struct qint | qint |
| typedef struct ColRGBA | ColRGBA |
| typedef struct shortcuts | shortcuts |
| keyboard shortcuts information | |
| typedef struct atomes_action | atomes_action |
| action information data structure | |
| typedef struct coord_info | coord_info |
| coordination information data structure | |
| typedef struct line_node | line_node |
| typedef struct coord_file | coord_file |
| atomic coordinates file, data container | |
| typedef struct MouseState | MouseState |
| data structure to store mouse information on curve widget | |
| typedef struct CurveState | CurveState |
| data structure used for zoom in / out on curve widget | |
| typedef struct DataLayout | DataLayout |
| curve layout information | |
| typedef struct CurveExtra | CurveExtra |
| extra curve(s) data information | |
| typedef struct ExtraSets | ExtraSets |
| list of extra data sets for a curve | |
| typedef struct Curve | Curve |
| curve data structure | |
| typedef struct classical_field | classical_field |
| typedef struct thermostat | thermostat |
| typedef struct dummy_atom | dummy_atom |
| typedef struct cpmd | cpmd |
| typedef struct cp2k | cp2k |
| typedef struct molecule | molecule |
| the molecule data structure | |
| typedef struct model | model |
| data structure to describe the topology | |
| typedef struct element_data | element_data |
| element description used for the periodic table defined in 'w_periodic.c' | |
| typedef struct chemical_data | chemical_data |
| a structure to store some chemical information | |
| typedef struct insertion_menu | insertion_menu |
| data structure for the insertion pop-up menu | |
| typedef struct atom | atom |
| atom data structure | |
| typedef struct project | project |
| data structure for the 'atomes' project | |
| typedef struct workspace | workspace |
| data structure for the 'atomes' workspace | |
Enumerations | |
| enum | ContainerType { CONTAINER_WIN = 0 , CONTAINER_SCR = 1 , CONTAINER_VIE = 2 , CONTAINER_BUT = 3 , CONTAINER_FRA = 4 , CONTAINER_EXP = 5 } |
| enum | ImageFormats { IMG_NONE = 0 , IMG_PIXBUF = 1 , IMG_SURFACE = 2 , IMG_FILE = 3 , IMG_STOCK = 4 } |
Functions | |
| void | add_action (GSimpleAction *action) |
| add action to the main window action map | |
| void | remove_action (gchar *action_name) |
| add action from the main window action map | |
| void | remove_edition_actions () |
| remove all edition actions | |
| void | remove_edition_and_analyze_actions () |
| remove all edition and analysis action | |
| project * | get_project_by_id (int p) |
| get project pointer using id number | |
| void | opengl_project_changed (int id) |
| change the OpenGL project | |
| gboolean | in_md_shaders (project *this_proj, int id) |
| is this shader MD dependent ? | |
| void | recreate_all_shaders (glwin *view) |
| re-initialize all OpenGL shaders | |
| gboolean | is_atom_win_active (glwin *view) |
| is the model edition window visible ? | |
| G_MODULE_EXPORT void | on_calc_bonds_released (GtkWidget *widg, gpointer data) |
| compute bonding properties | |
| void | update_rings_menus (glwin *view) |
| void | clean_rings_data (int rid, glwin *view) |
| clean a ring type data for a glview | |
| void | clean_chains_data (glwin *view) |
| cleaning the OpenGL data related to chain statistics | |
| void | clean_volumes_data (glwin *view) |
| clean volume data | |
| void | initcutoffs (chemical_data *chem, int species) |
| initialize bond cutoffs | |
| void | cutoffsend () |
| send cutoffs to Fortran90 | |
| void | update_entry_int (GtkEntry *entry, int intval) |
| update the content of a GtkEntry as int | |
| void | update_entry_double (GtkEntry *entry, double doubleval) |
| update the content of a GtkEntry as double | |
| void | update_entry_long_double (GtkEntry *entry, double doubleval) |
| update the content of a GtkEntry as long double | |
| void | update_entry_text (GtkEntry *entry, gchar *text) |
| update the content of a GtkEntry as string | |
| gboolean * | allocbool (int val) |
| allocate a gboolean * pointer | |
| gboolean ** | allocdbool (int xal, int yal) |
| allocate a gboolean ** pointer | |
| gboolean *** | alloctbool (int xal, int yal, int zal) |
| allocate a gboolean *** pointer | |
| int * | allocint (int val) |
| allocate an int * pointer | |
| int ** | allocdint (int xal, int yal) |
| allocate an int ** pointer | |
| int *** | alloctint (int xal, int yal, int zal) |
| allocate an int *** pointer | |
| int **** | allocqint (int wal, int xal, int yal, int zal) |
| allocate an int **** pointer | |
| float * | allocfloat (int val) |
| allocate a float * pointer | |
| float ** | allocdfloat (int xal, int yal) |
| allocate a float ** pointer | |
| float *** | alloctfloat (int xal, int yal, int zal) |
| allocate a float *** pointer | |
| double * | allocdouble (int val) |
| allocate a double * pointer | |
| double ** | allocddouble (int xal, int yal) |
| allocate a double ** pointer | |
| double *** | alloctdouble (int xal, int yal, int zal) |
| allocate a double *** pointer | |
| double **** | allocqdouble (int wal, int xal, int yal, int zal) |
| allocate a double **** pointer | |
| GLuint * | allocgluint (int val) |
| allocate a GLuint * pointer | |
| GLuint ** | allocdgluint (int xal, int yal) |
| allocate a GLuint ** pointer | |
| GLfloat ** | allocdGLfloat (int xal, int yal) |
| allocate a GLfloat ** pointer | |
| gchar ** | duplicate_strings (int num, gchar **old_val) |
| copy a list of strings | |
| int * | duplicate_int (int num, int *old_val) |
| copy a list of int | |
| gboolean * | duplicate_bool (int num, gboolean *old_val) |
| copy a list of gboolean | |
| float * | duplicate_float (int num, float *old_val) |
| copy a list of float | |
| double * | duplicate_double (int num, double *old_val) |
| copy a list of double | |
| ColRGBA * | duplicate_color (int num, ColRGBA *col) |
| duplicate a ColRGBA pointer | |
| void | combo_set_markup (GtkWidget *combo) |
| use pango markup in combo widget | |
| void | combo_set_active (GtkWidget *combo, int pos) |
| set the active item's position | |
| int | combo_get_active (GtkWidget *combo) |
| retrieve the active item's position | |
| void | combo_text_append (GtkWidget *combo, gchar *text) |
| append text in GtkComboBox widget | |
| void | combo_text_prepend (GtkWidget *combo, gchar *text) |
| prepend text in GtkComboBox widget | |
| GtkWidget * | create_combo () |
| create a GtkCombox widget, note deprecated in GTK4 | |
| GtkTextBuffer * | add_buffer (GCallback handler, gpointer data, gchar *text) |
| create a GtkTextBuffer | |
| GtkWidget * | create_text_view (int dimx, int dimy, int edit, int mono, GCallback handler, gpointer data, gchar *text) |
| create a GtkTextView and display some text | |
| GdkPixbuf * | convert_to_pixbuf (cairo_surface_t *surf) |
| convert cairo surface to GdkPixbuf | |
| void | text_view_set_monospace (GtkWidget *view) |
| set the font of a GtkTextView as monospace | |
| void | gtk_label_align (GtkWidget *lab, float ax, float ay) |
| set text alignment in a GtkLabel | |
| gchar * | prepare_for_title (gchar *init) |
| prepare a string for a window title, getting rid of all markup | |
| void | show_the_widgets (GtkWidget *widg) |
| show GtkWidget | |
| void | hide_the_widgets (GtkWidget *widg) |
| hide GtkWidget | |
| gboolean | is_the_widget_visible (GtkWidget *widg) |
| test if a GtkWidget exist, then return if it is visible or not | |
| void | widget_set_sensitive (GtkWidget *widg, gboolean sensitive) |
| Set sensitivity for a GtkWidget, ensuring it is a GtkWidget. | |
| GtkWidget * | new_gtk_window () |
| create a new GtkWindow | |
| GtkWidget * | dialogmodal (gchar *str, GtkWindow *parent) |
| Create a new dialog modal window. | |
| GtkWidget * | message_dialogmodal (gchar *message, gchar *title, GtkMessageType mtype, GtkButtonsType buttons, GtkWidget *parent) |
| create a modal (cannot be ignored) message window | |
| GtkWidget * | dialog_cancel_apply (gchar *title, GtkWidget *parent, gboolean resiz) |
| create a dialog modal offering a choice to apply something or not | |
| void | run_this_gtk_dialog (GtkWidget *dial, GCallback handler, gpointer data) |
| run a GTK (3 and 4) basic GtkDialog | |
| void | resize_this_window (GtkWidget *window, int x, int y) |
| resize this GtkWindow | |
| GtkWidget * | create_hscale (float min, float max, float delta, float val, int pos, int round, int size, GCallback handler, GCallback scroll_handler, gpointer data) |
| create an horizontal scale GtkWidget | |
| GtkWidget * | create_vscale (float min, float max, float delta, float val, int pos, int round, int size, GCallback handler, GCallback scroll_handler, gpointer data) |
| create an vertical scale GtkWidget | |
| void | append_comments (GtkWidget *vbox, gchar *symbol, gchar *legend) |
| append comments to a vertical box | |
| void | add_container_child (int type, GtkWidget *widg, GtkWidget *child) |
| Add a GtkWidget into another GtkWidget. | |
| void | add_box_child_end (GtkWidget *widg, GtkWidget *child, gboolean expand, gboolean fill, int padding) |
| Add a GtkWidget in a GtkBox at the end position. | |
| void | add_box_child_start (int orientation, GtkWidget *widg, GtkWidget *child, gboolean expand, gboolean fill, int padding) |
| Add a GtkWidget in a GtkBox at the initial position. | |
| GtkWidget * | create_vbox (int spacing) |
| create a GtkBox with vertical orientation | |
| GtkWidget * | create_hbox (int spacing) |
| create a GtkBox with horizontal orientation | |
| GtkWidget * | dialog_get_content_area (GtkWidget *widg) |
| prepare GtkWidget to insert content in a GtkDialog window | |
| void | layout_add_widget (GtkWidget *layout, GtkWidget *child, int x_pos, int y_pos) |
| Add a GtkWidget in a GtkLayout. | |
| GtkWidget * | add_vbox_to_layout (GtkWidget *layout, int size_x, int size_y) |
| Insert a vertical GtkBox in a GtkLatout then send back the GtkBox. | |
| GtkWidget * | create_layout (int x, int y) |
| create a GtkLayout / GtkFixed widget | |
| void | add_global_option (GtkWidget *vbox, tint *oid) |
| add a button to update global user preferences | |
| void | update_chains_menus (glwin *view) |
| G_MODULE_EXPORT void | select_unselect_this_atom (GtkWidget *widg, gpointer data) |
| select / unselect this atom callback GTK3 | |
| G_MODULE_EXPORT void | select_unselect_atoms (GtkWidget *widg, gpointer data) |
| select / unselect a type of atom(s) callback GTK3 | |
| G_MODULE_EXPORT void | select_unselect_coord (GtkWidget *widg, gpointer data) |
| select / unselect a type of coordination callback GTK3 | |
| G_MODULE_EXPORT void | label_unlabel_this_atom (GtkWidget *widg, gpointer data) |
| label / unlabel this atom callback GTK3 | |
| G_MODULE_EXPORT void | label_unlabel_atoms (GtkWidget *widg, gpointer data) |
| label / unlabel a type of atom(s) callback GTK3 | |
| G_MODULE_EXPORT void | label_unlabel_coord (GtkWidget *widg, gpointer data) |
| label / unlabel a type of coordination callback GTK3 | |
| G_MODULE_EXPORT void | show_hide_this_atom (GtkWidget *widg, gpointer data) |
| show / hide this atom callback GTK3 | |
| G_MODULE_EXPORT void | show_hide_atoms (GtkWidget *widg, gpointer data) |
| G_MODULE_EXPORT void | show_hide_the_coord (GtkWidget *widg, gpointer data) |
| show / hide a type of coordination callback GTK3 | |
| G_MODULE_EXPORT void | show_hide_coord (GtkWidget *widg, gpointer data) |
| show/hide coordination callback GTK3 | |
| G_MODULE_EXPORT void | show_hide_poly (GtkWidget *widg, gpointer data) |
| show / hide polyhedra callback - GTK3 | |
| G_MODULE_EXPORT void | show_hide_labels (GtkWidget *widg, gpointer data) |
| G_MODULE_EXPORT void | remove_the_atoms (GtkWidget *widg, gpointer data) |
| remove selected atom(s) callback GTK3 | |
| G_MODULE_EXPORT void | replace_the_atoms (GtkWidget *widg, gpointer data) |
| replace selected atom(s) callback GTK3 | |
| G_MODULE_EXPORT void | edit_in_new_project (GtkWidget *widg, gpointer data) |
| create new project using selection callback GTK3 | |
| GtkWidget * | create_menu_item (gboolean add_mnemo, gchar *action) |
| GtkWidget * | create_menu_item_from_widget (GtkWidget *widg, gboolean check, gboolean radio, gboolean status) |
| GtkWidget * | menu_item_new_with_submenu (gchar *name, gboolean active, GtkWidget *sub_menu) |
| void | add_menu_separator (GtkWidget *menu) |
| G_MODULE_EXPORT gboolean | destroy_this_window (GtkWidget *win, GdkEvent *event, gpointer data) |
| destroy a GtkWindow | |
| G_MODULE_EXPORT gboolean | hide_this_window (GtkWidget *win, GdkEvent *event, gpointer data) |
| hide a GtkWindow | |
| GtkWidget * | create_file_chooser (const gchar *title, GtkWindow *parent, GtkFileChooserAction act, const gchar *act_name) |
| create a GtkFileChooser, utility to select file(s) | |
| void | pop_menu_at_pointer (GtkWidget *widg, GdkEvent *event) |
| popup a menu at pointer location | |
| GSList * | file_chooser_get_file_names (GtkFileChooser *chooser) |
| create a file list from files selected using a GtkFileChooser | |
| const gchar * | entry_get_text (GtkEntry *entry) |
| get the text in a GtkEntry | |
| GtkWidget * | create_entry (GCallback handler, int dim, int cdim, gboolean key_release, gpointer data) |
| Create a GtkEntry. | |
| GtkWidget * | stock_image (const gchar *stock_id) |
| create a GtkImage for the Gtk database | |
| void | set_image_from_icon_name (GtkWidget *widg, gchar *icon) |
| set a image from a stock icon name | |
| GtkWidget * | create_image_from_data (int format, gpointer item_image) |
| create Gtk image for data | |
| GtkWidget * | gtk3_menu_item (GtkWidget *menu, gchar *name, int icon_format, gpointer item_icon, GCallback handler, gpointer data, gboolean accel, guint key, GdkModifierType mod, gboolean check, gboolean radio, gboolean status) |
| GtkWidget * | add_advanced_item (GtkWidget *menu, GCallback handler, gpointer data, gboolean accel, guint key, GdkModifierType mod) |
| GtkWidget * | markup_label (gchar *text, int dimx, int dimy, float ax, float ay) |
| create a GtkLabel with pango markup | |
| GtkWidget * | color_button (ColRGBA col, gboolean alpha, int dimx, int dimy, GCallback handler, gpointer data) |
| create a color selection button | |
| GtkWidget * | font_button (gchar *font, int dimx, int dimy, GCallback handler, gpointer data) |
| create a font selection button | |
| GtkWidget * | spin_button (GCallback handler, double value, double start, double end, double step, int digits, int dim, gpointer data) |
| create a spin button | |
| int | button_get_status (GtkWidget *button) |
| get status of check / toggle button | |
| void | button_set_status (GtkWidget *button, int status) |
| set status of check / toggle button | |
| GtkWidget * | check_button (gchar *text, int dimx, int dimy, gboolean state, GCallback handler, gpointer data) |
| create a check button | |
| GtkWidget * | radio_button (gchar *text, int dimx, int dimy, gboolean state, GCallback handler, gpointer data) |
| create a radio button | |
| GtkWidget * | create_button (gchar *text, int image_format, gchar *image, int dimx, int dimy, int relief, GCallback handler, gpointer data) |
| create a simple button | |
| ColRGBA | gdkrgba_to_rgba (GdkRGBA colgdk) |
| convert GdkRGBA color to ColRGBA color | |
| GdkRGBA | colrgba_togtkrgba (ColRGBA col) |
| convert ColRGBA color to GdkRGBA color | |
| ColRGBA | get_button_color (GtkColorChooser *colob) |
| get the ColRGBA color from a GtkColorChooser button | |
| ColRGBA | get_window_color (GtkWidget *color_win) |
| get the ColRGBA color from a color selection window | |
| void | set_color_chooser_color (GtkWidget *color_win, ColRGBA col) |
| set the color of a color selection window | |
| void | set_renderer_color (int tocol, GtkCellRenderer *renderer, ColRGBA col) |
| set the color of a GtkCellRenderer | |
| void | button_set_image (GtkButton *but, gchar *text, int format, gpointer image) |
| Add an image to a GtkButton. | |
| GtkWidget * | abox (GtkWidget *box, char *lab, int vspace) |
| box creating routine, to help design faster elements for the GUI | |
| GtkWidget * | bbox (GtkWidget *box, char *lab) |
| box creating routine, to help design faster elements for the GUI | |
| GtkWidget * | cbox (GtkWidget *box, char *lab) |
| box creating routine, to help design faster elements for the GUI | |
| GtkWidget * | fbox (GtkWidget *box, char *lab) |
| box creating routine, to help design faster elements for the GUI | |
| GtkWidget * | create_scroll (GtkWidget *box, int dimx, int dimy, int shadow) |
| create a scroll window | |
| GtkWidget * | create_expander (gchar *name, gchar *file_img) |
| create GtkExpander | |
| GtkWidget * | create_win (gchar *str, GtkWidget *parent, gboolean modal, gboolean resiz) |
| create a new GtkWindow | |
| void | widget_add_action (GSimpleActionGroup *action_group, const gchar *act, GCallback handler, gpointer data, gboolean check, gboolean status, gboolean radio, const gchar *stat) |
| add an action to an action group | |
| void | append_menu_item (GMenu *menu, const gchar *label, const gchar *action, const gchar *accel, const gchar *custom, int format, const gchar *icon, gboolean check, gboolean status, gboolean radio, const gchar *rstatus) |
| create a menu item, then append it to a menu | |
| void | append_submenu (GMenu *menu, const gchar *label, GMenu *submenu) |
| append a GMenuItem with a subenu to a GMenu, and use markup for the GMenuItem | |
| GtkWidget * | destroy_this_widget (GtkWidget *widg) |
| destroy a GtkWidget | |
| void | destroy_this_dialog (GtkDialog *dialog) |
| destroy a GtkDialog | |
| void | destroy_this_native_dialog (GtkNativeDialog *dialog) |
| destroy a GtkNativeDialog | |
| G_MODULE_EXPORT void | run_destroy_dialog (GtkDialog *dialog, gint response_id, gpointer data) |
| to destroy a GtkDialog when the dialog emit the closing signal | |
| void | add_gtk_close_event (GtkWidget *widg, GCallback handler, gpointer data) |
| add a close event signal and callback to a GtkWidget | |
| gchar * | file_chooser_get_file_name (GtkFileChooser *chooser) |
| get a file name from a GtkFileChooser (single file selected) | |
| gchar * | file_chooser_get_current_folder (GtkFileChooser *chooser) |
| get the current folder for a GtkFileChooser | |
| gboolean | file_chooser_set_file_name (GtkFileChooser *chooser, gchar *filename) |
| set file name in a GtkFilechooser | |
| void | file_chooser_set_current_folder (GtkFileChooser *chooser) |
| set current folder in a GtkFilechooser | |
| GtkWidget * | get_top_level (GtkWidget *widg) |
| get the top level container, window, of a widget | |
| void | provide_gtk_css (gchar *css) |
| create a css provider based on the css data | |
| double | string_to_double (gpointer string) |
| convert string to double | |
| double | get_calc_time (struct timespec start, struct timespec stop) |
| get calculation time in s | |
| gchar * | calculation_time (gboolean modelv, double ctime) |
| get calculation time, human readable | |
| int | get_widget_width (GtkWidget *widg) |
| retrive GtkWidget width | |
| int | get_widget_height (GtkWidget *widg) |
| retrive GtkWidget height | |
Global variable declarations
Global convenience function declarations
Global data structure definitions.
Definition in file global.h.
| #define ATOM_LIMIT 100000 |
atom number limit to compute fragment(s) and molecule(s) analysis automatically
| #define ERROR_MOL 12 |
| #define MAXDATA 21 |
| #define MAXDATC 8 |
| #define NCALCS 12 |
| #define NDOTS 8 |
| #define NGRAPHS 10 |
| typedef struct atomes_action atomes_action |
| typedef struct chemical_data chemical_data |
| typedef struct coord_file coord_file |
| typedef struct coord_info coord_info |
| typedef struct CurveExtra CurveExtra |
| typedef struct CurveState CurveState |
| typedef struct DataLayout DataLayout |
| typedef struct element_data element_data |
element description used for the periodic table defined in 'w_periodic.c'
| typedef struct ExtraSets ExtraSets |
| typedef struct insertion_menu insertion_menu |
| typedef struct model model |
| typedef struct molecule molecule |
| typedef struct MouseState MouseState |
| typedef struct project project |
| typedef struct shortcuts shortcuts |
| typedef struct workspace workspace |
| enum ContainerType |
| enum ImageFormats |
|
extern |
box creating routine, to help design faster elements for the GUI
| box | the box to insert the new box into |
| lab | string to display |
| vspace | vertical space |
Definition at line 2023 of file gtk-misc.c.
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Add a GtkWidget in a GtkBox at the end position.
| widg | the GtkBox |
| child | the GtkWidget to add |
| expand | GTK3 only: expandable |
| fill | GTK3 only: fill |
| padding | GTK3 only: box padding |
Definition at line 286 of file gtk-misc.c.
|
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Add a GtkWidget in a GtkBox at the initial position.
| orientation | horizontal or vertical |
| widg | the GtkBox |
| child | the GtkWidget to add |
| expand | GTK3 only: expandable |
| fill | GTK3 only: fill |
| padding | GTK3 only: box padding |
Definition at line 308 of file gtk-misc.c.
|
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create a GtkTextBuffer
| handler | the callback on buffer changed |
| data | the associated data pointer |
| text | the text to display |
Definition at line 1232 of file gtk-misc.c.
|
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Add a GtkWidget into another GtkWidget.
| type | GTK4 only: the type of container |
| widg | the container Gtkwidget |
| child | the child GtkWidget |
Definition at line 235 of file gtk-misc.c.
|
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add a button to update global user preferences
| the | widget to insert the button in |
| oid | the option id pointer |
Definition at line 4932 of file preferences.c.
|
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add a close event signal and callback to a GtkWidget
| widg | the GtkWidget |
| handler | the callback for the close event |
| data | the associated data pointer |
Definition at line 2522 of file gtk-misc.c.
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|
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Insert a vertical GtkBox in a GtkLatout then send back the GtkBox.
| layout | the GtkLayout |
| size_x | the x size of the box |
| size_y | the y size of the box |
Definition at line 874 of file gtk-misc.c.
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append comments to a vertical box
| vbox | the target vertical box |
| symbol | the symbol to legend |
| legend | the associated legend |
Definition at line 2004 of file gtk-misc.c.
|
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create a menu item, then append it to a menu
| menu | the menu to insert the item in |
| label | Label of the menu item |
| action | Action of the menu item |
| accel | Keyboard accelerator, if any |
| custom | Custom menu item ? NULL otherwise |
| format | Image format if not IMG_NONE |
| icon | Image data if not NULL |
| check | Check menu item ? |
| status | If check then status |
| radio | Radio menu item ? |
| rstatus | If radio then variant parameter |
|
extern |
|
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box creating routine, to help design faster elements for the GUI
| box | the box to insert the new box into |
| lab | string to display |
Definition at line 2040 of file gtk-misc.c.
|
extern |
get status of check / toggle button
 Â
| button | the button to check |
Definition at line 1855 of file gtk-misc.c.
|
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Add an image to a GtkButton.
| but | the GtkButton |
| text | the message to display |
| format | the image format |
| image | the data of the image |
Definition at line 1738 of file gtk-misc.c.
|
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set status of check / toggle button
 Â
| button | the button to update |
| status | the new status |
Definition at line 1872 of file gtk-misc.c.
|
extern |
|
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box creating routine, to help design faster elements for the GUI
| box | the box to insert the new box into |
| lab | string to display |
Definition at line 2058 of file gtk-misc.c.
|
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create a check button
| text | the message to display |
| dimx | the x size |
| dimy | the y size |
| state | Checked or not (1/0) |
| handler | the callback for the button |
| data | the associated data pointer |
Definition at line 1893 of file gtk-misc.c.
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cleaning the OpenGL data related to chain statistics
| view | the gliwn to clean the data from |
Definition at line 258 of file chainscall.c.
|
extern |
clean a ring type data for a glview
| rid | Rings type |
| view | the glview |
Definition at line 374 of file ringscall.c.
|
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|
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create a color selection button
| col | the color to use |
| alpha | Use alpha channel (1/0) |
| dimx | Size x of the button |
| dimy | Size y of the button |
| handler | the callback for the button |
| data | the associated data pointer |
Definition at line 1789 of file gtk-misc.c.
|
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convert ColRGBA color to GdkRGBA color
| col | the ColRGBA to convert |
Definition at line 1695 of file gtk-misc.c.
|
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retrieve the active item's position
| combo | the target GtkWidget |
Definition at line 909 of file gtk-misc.c.
|
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set the active item's position
| combo | the target GtkWidget |
| pos | the position to set |
Definition at line 932 of file gtk-misc.c.
|
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use pango markup in combo widget
| combo | to the target widget |
Definition at line 944 of file gtk-misc.c.
|
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append text in GtkComboBox widget
| combo | the GtkWidget |
| text | the text to append |
Definition at line 961 of file gtk-misc.c.
|
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prepend text in GtkComboBox widget
| combo | the GtkWidget |
| text | the text to prepend |
Definition at line 974 of file gtk-misc.c.
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convert cairo surface to GdkPixbuf
| surf | the cairo sufrace to convert |
Definition at line 1325 of file gtk-misc.c.
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create a simple button
| text | the message to display |
| image_format | the image format |
| image | the name of the stock image |
| dimx | the x size |
| dimy | the y size |
| relief | button should appear pressed or not (1/0) |
| handler | the callback for the button |
| data | the associated data pointer |
Definition at line 1955 of file gtk-misc.c.
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create a GtkCombox widget, note deprecated in GTK4
Definition at line 984 of file gtk-misc.c.
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Create a GtkEntry.
| handler | the callback |
| dim | the x size |
| cdim | the maximum number of character to display |
| key_release | Use release event (1/0) |
| data | the data pointer for the callback |
Definition at line 1375 of file gtk-misc.c.
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create GtkExpander
| name | Name of the expander tab |
| file_img | image file to add if required |
Definition at line 2119 of file gtk-misc.c.
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create a GtkFileChooser, utility to select file(s)
| title | the title of the window |
| parent | the parent window, if any |
| act | the action to perform (read or write) |
| act_name | the action name to display |
Definition at line 2358 of file gtk-misc.c.
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create a GtkBox with horizontal orientation
| spacing | spacing between elements |
Definition at line 823 of file gtk-misc.c.
|
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create an horizontal scale GtkWidget
| min | Min value for the h scale |
| max | Max value for the h scale |
| delta | the step on the h scale |
| val | the value to position to set on the h scale |
| pos | the location where the value is on display |
| round | the rounding digit for the value on display |
| size | the x size of the GtkWdiget |
| handler | the callback to move the h scale |
| scroll_handler | the callback on mouse scroll |
| data | the associated data pointer |
Definition at line 754 of file gtk-misc.c.
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create Gtk image for data
| format | Image format |
| item_image | the data to create the image |
Definition at line 1504 of file gtk-misc.c.
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create a GtkLayout / GtkFixed widget
| x | the x size of the widget |
| y | the y size of the widget |
Definition at line 890 of file gtk-misc.c.
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|
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|
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create a scroll window
| box | the box to insert the scroll window in, if any |
| dimx | the x size of the widget |
| dimy | the x size of the widget |
| shadow | Add shadow (1/0) |
Definition at line 2095 of file gtk-misc.c.
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create a GtkTextView and display some text
| dimx | the x size of the GtkTextView |
| dimy | the y size of the GtkTextView |
| edit | Is the text view editable (1/0) |
| mono | Use monospace font (1/0) |
| handler | the callback on buffer changed |
| data | the associated data pointer |
| text | the text to display |
Definition at line 1260 of file gtk-misc.c.
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create a GtkBox with vertical orientation
| spacing | spacing between elements |
Definition at line 811 of file gtk-misc.c.
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create an vertical scale GtkWidget
| min | Min value for the v scale |
| max | Max value for the v scale |
| delta | the step on the v scale |
| val | the value to position to set on the h scale |
| pos | the location where the value is on display |
| round | the rounding digit for the value on display |
| size | the x size of the GtkWdiget |
| handler | the callback to move the v scale |
| scroll_handler | the callback on mouse scroll |
| data | the associated data pointer |
Definition at line 788 of file gtk-misc.c.
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create a new GtkWindow
| str | Title |
| parent | Parent GtkWidget (if any) |
| modal | Modal (TRUE/FALSE) |
| resiz | Can be re-sized (TRUE/FALSE) |
Definition at line 454 of file gtk-misc.c.
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destroy a GtkDialog
| dialog | the GtkDialog to destroy |
Definition at line 2200 of file gtk-misc.c.
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destroy a GtkNativeDialog
| dialog | the GtkNativeDialog to destroy |
Definition at line 2219 of file gtk-misc.c.
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destroy a GtkWidget
| widg | the GtkWidget to destroy |
Definition at line 2169 of file gtk-misc.c.
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destroy a GtkWindow
| win | the GtkWindow to destroy |
| event | the GdkEvent triggering the signal |
| data | the associated data pointer |
Definition at line 2479 of file gtk-misc.c.
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create a dialog modal offering a choice to apply something or not
| title | the message |
| parent | the parent window, if any |
| resiz | Is the new window re-sizable ? |
Definition at line 571 of file gtk-misc.c.
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prepare GtkWidget to insert content in a GtkDialog window
| widg | the GtkDialog window |
Definition at line 835 of file gtk-misc.c.
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Create a new dialog modal window.
| str | Title |
| parent | Parent GtkWindow, if any |
Definition at line 520 of file gtk-misc.c.
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duplicate a ColRGBA pointer
| num | Size of the pointer |
| col | ColRGBA pointer to duplicate |
Definition at line 1663 of file gtk-misc.c.
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box creating routine, to help design faster elements for the GUI
| box | the box to insert the new box into |
| lab | string to display |
Definition at line 2076 of file gtk-misc.c.
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get the current folder for a GtkFileChooser
| chooser | the GtkFilechooser |
Definition at line 2287 of file gtk-misc.c.
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get a file name from a GtkFileChooser (single file selected)
| chooser | the GtkFilechooser |
Definition at line 2271 of file gtk-misc.c.
| GSList * file_chooser_get_file_names | ( | GtkFileChooser * | chooser | ) |
create a file list from files selected using a GtkFileChooser
Definition at line 2258 of file gtk-misc.c.
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set current folder in a GtkFilechooser
| chooser | the GtkFilechooser |
Definition at line 2323 of file gtk-misc.c.
|
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set file name in a GtkFilechooser
| chooser | the GtkFilechooser |
| filename | the file name to appear in the GtkFilechooser |
Definition at line 2304 of file gtk-misc.c.
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create a font selection button
| font | the font to use |
| dimx | Size x of the button |
| dimy | Size y of the button |
| handler | the callback for the button |
| data | the associated data pointer |
Definition at line 1811 of file gtk-misc.c.
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convert GdkRGBA color to ColRGBA color
| colgdk | the GdkRGBA to convert |
Definition at line 1678 of file gtk-misc.c.
|
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get the ColRGBA color from a GtkColorChooser button
| colob | the GtkColorChooser button |
Definition at line 2371 of file gtk-misc.c.
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|
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|
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get the top level container, window, of a widget
| widg | the GtkWidget |
Definition at line 2450 of file gtk-misc.c.
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|
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|
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get the ColRGBA color from a color selection window
| color_win | the color selection window |
Definition at line 2385 of file gtk-misc.c.
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set text alignment in a GtkLabel
| lab | the GtkLabel |
| ax | the x alignment |
| ay | the Y alignment |
Definition at line 711 of file gtk-misc.c.
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hide a GtkWindow
| win | the GtkWindow to hide |
| event | the GdkEvent triggering the signal |
| data | the associated data pointer |
Definition at line 2506 of file gtk-misc.c.
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is this shader MD dependent ?
| this_proj | the target project |
| id | the shader id |
Definition at line 658 of file ogl_shading.c.
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|
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is the model edition window visible ?
| view | the target glwin |
Definition at line 71 of file atom_edit.c.
|
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test if a GtkWidget exist, then return if it is visible or not
| widg | the GtkWidget |
Definition at line 724 of file gtk-misc.c.
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Add a GtkWidget in a GtkLayout.
| layout | the GtkLayout |
| child | the GtkWidget to insert |
| x_pos | the x position to insert at |
| y_pos | the y position to insert at |
Definition at line 856 of file gtk-misc.c.
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create a GtkLabel with pango markup
| text | Message to display |
| dimx | y size for the widget |
| dimy | y size for the widget |
| ax | x alignment |
| ay | y alignment |
Definition at line 1646 of file gtk-misc.c.
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create a modal (cannot be ignored) message window
| message | the message |
| title | the title |
| mtype | the message type |
| buttons | the type of closing button to add |
| parent | the parent window, if any |
Definition at line 541 of file gtk-misc.c.
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create a new GtkWindow
Definition at line 357 of file gtk-misc.c.
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change the OpenGL project
| id | the id of the new OpenGL project |
Definition at line 245 of file update_p.c.
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popup a menu at pointer location
| widg | the menu to popup |
| event | the GdkEvent triggering the signal |
Definition at line 2436 of file gtk-misc.c.
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create a css provider based on the css data
| css | the css data, use the name of the variable to use the css |
Definition at line 2141 of file gtk-misc.c.
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create a radio button
| text | the message to display |
| dimx | the x size |
| dimy | the y size |
| state | Checked or not (1/0) |
| handler | the callback for the button |
| data | the associated data pointer |
Definition at line 1926 of file gtk-misc.c.
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re-initialize all OpenGL shaders
| view | the target glwin |
Definition at line 739 of file ogl_shading.c.
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resize this GtkWindow
| window | the GtkWidget to resize |
| x | the x size |
| y | the y size |
Definition at line 591 of file gtk-misc.c.
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to destroy a GtkDialog when the dialog emit the closing signal
| dialog | the GtkDialog to destroy |
| response_id | the response id |
| data | the associated data pointer |
Definition at line 2237 of file gtk-misc.c.
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run a GTK (3 and 4) basic GtkDialog
| dial | the GtkDialog |
| handler | the callback |
| data | the associated data pointer |
Definition at line 501 of file gtk-misc.c.
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set the color of a color selection window
| color_win | the color selection window |
| col | the color to use |
Definition at line 2400 of file gtk-misc.c.
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set a image from a stock icon name
| widg | the GtkImage to modify |
| icon | the name of the stock icon |
Definition at line 1986 of file gtk-misc.c.
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set the color of a GtkCellRenderer
| tocol | Apply color (1/0) |
| renderer | the GtkCellRenderer |
| col | the color to apply |
Definition at line 1714 of file gtk-misc.c.
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create a spin button
| handler | the callback for the button |
| value | Initial value for the spin button |
| start | Minimum value |
| end | Maximum value |
| step | Step between values |
| digits | Number of digits displayed |
| dim | Size x of the button |
| data | the associated data pointer |
Definition at line 1833 of file gtk-misc.c.
|
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create a GtkImage for the Gtk database
| stock_id |
Definition at line 1425 of file gtk-misc.c.
|
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|
extern |
set the font of a GtkTextView as monospace
| view | the GtkTextView |
Definition at line 697 of file gtk-misc.c.
|
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|
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update the content of a GtkEntry as double
| entry | the GtkEntry |
| doubleval | the new double value to display |
Definition at line 643 of file gtk-misc.c.
|
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update the content of a GtkEntry as int
| entry | the GtkEntry |
| intval | the new int value to display |
Definition at line 624 of file gtk-misc.c.
|
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update the content of a GtkEntry as long double
| entry | the GtkEntry |
| doubleval | the new long double value to display |
Definition at line 662 of file gtk-misc.c.
|
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update the content of a GtkEntry as string
| entry | the GtkEntry |
| text | the new string to display |
Definition at line 681 of file gtk-misc.c.
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|
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add an action to an action group
| action_group | the action group to add an action to |
| act | the name of the action to add |
| handler | the associated callback |
| data | the associated data pointer |
| check | is the action a check (1/0) |
| status | if check or radio, status of the action (1/0) |
| radio | is the action a radio (1/0) |
| stat | if radio variant parameter of the action |
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Set sensitivity for a GtkWidget, ensuring it is a GtkWidget.
| widg | the GtkWidget |
| sensitive | Sensitivity |
Definition at line 215 of file gtk-misc.c.
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Definition at line 86 of file callbacks.c.
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Definition at line 101 of file callbacks.c.
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Definition at line 123 of file glwindow.c.
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Definition at line 71 of file w_library.c.
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