atomes 1.2.1
atomes: an atomic scale modeling tool box
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preferences.c File Reference

Functions to create the 'User preferences' window. More...

#include "global.h"
#include "callbacks.h"
#include "interface.h"
#include "project.h"
#include "workspace.h"
#include "glview.h"
#include "glwin.h"
#include "bind.h"
#include "preferences.h"
#include <libxml/encoding.h>
#include <libxml/xmlwriter.h>
#include <libxml/xmlreader.h>
#include <libxml/parser.h>
#include <unistd.h>
#include <sys/types.h>
#include <pwd.h>
+ Include dependency graph for preferences.c:

Go to the source code of this file.

Functions

void apply_default_parameters_to_project (project *this_proj)
 apply new default parameters to project
 
xmlNodePtr findnode (xmlNodePtr startnode, char *nname)
 find XML node
 
void edit_bonds (GtkWidget *vbox)
 creation of the edit bond cutoff widgets
 
void calc_rings (GtkWidget *vbox)
 creation of the rings statistics calculation widgets
 
gchar * substitute_string (gchar *init, gchar *o_motif, gchar *n_motif)
 substitute all patterns in string
 
G_MODULE_EXPORT gboolean scroll_scale_quality (GtkRange *range, GtkScrollType scroll, gdouble value, gpointer data)
 update OpenGL quality - scroll callback
 
GtkWidget * materials_tab (glwin *view, opengl_edition *ogl_edit, Material *the_mat)
 OpenGL material parameters tab.
 
GtkWidget * lights_tab (glwin *view, opengl_edition *ogl_edit, Lightning *the_light)
 OpenGL light(s) parameters tab.
 
GtkWidget * fog_tab (glwin *view, opengl_edition *ogl_edit, Fog *the_fog)
 OpenGL fog parameters tab.
 
GtkWidget * labels_tab (glwin *view, int lid)
 create atomic label(s) tab for the atom(s) / clone(s) window
 
void update_light_data (int li, opengl_edition *ogl_win)
 update light data
 
void setup_fog_dialogs (opengl_edition *ogl_edit, int fid)
 update OpenGL fog tab based of fog type
 
G_MODULE_EXPORT void box_advanced (GtkWidget *widg, gpointer data)
 create the box edition window
 
G_MODULE_EXPORT void axis_advanced (GtkWidget *widg, gpointer data)
 create the axis advanced parameters window
 
G_MODULE_EXPORT void representation_advanced (GtkWidget *widg, gpointer data)
 open advanced representation dialog
 
void update_gradient_widgets (gradient_edition *gradient_win, background *back)
 update the widgets of the gradient window
 
G_MODULE_EXPORT void gradient_advanced (GtkWidget *widg, gpointer data)
 Background configuration window.
 
G_MODULE_EXPORT void scale_quality (GtkRange *range, gpointer data)
 update OpenGL quality - range callback
 
void duplicate_fog (Fog *new_fog, Fog *old_fog)
 duplicate fog data
 
void duplicate_material (Material *new_mat, Material *old_mat)
 duplicate material data
 
void duplicate_screen_label (screen_label *new_lab, screen_label *old_lab)
 copy screen_label data structure
 
Light init_light_source (int type, float val, float vbl)
 initialize a light source
 
Lightcopy_light_sources (int dima, int dimb, Light *old_sp)
 create a copy of a list of light sources
 
GtkWidget * lightning_fix (glwin *view, Material *this_material)
 
GtkWidget * adv_box (GtkWidget *box, char *lab, int vspace, int size, float xalign)
 create a box with markup label
 
int xml_save_color_to_file (xmlTextWriterPtr writer, int did, gchar *legend, gchar *key, ColRGBA col)
 save color data (red, green, blue, alpha) to XML file
 
int xml_save_xyz_to_file (xmlTextWriterPtr writer, int did, gchar *legend, gchar *key, vec3_t data)
 save vector data (x,y,z) to XML file
 
int xml_save_parameter_to_file (xmlTextWriterPtr writer, gchar *xml_leg, gchar *xml_key, gboolean doid, int xml_id, gchar *value)
 save single parameter to XML file
 
int save_preferences_to_xml_file ()
 save software preferences to XML file
 
double xml_string_to_double (gchar *content)
 convert XML string to double
 
void set_parameter (gchar *content, gchar *key, int vid, dint *bond, vec3_t *vect, float start, float end, ColRGBA *col)
 set default parameter
 
void read_parameter (xmlNodePtr parameter_node)
 read preferences from XML configuration
 
void read_light (xmlNodePtr light_node)
 read light preferences from XML configuration
 
void read_preferences (xmlNodePtr preference_node)
 read preferences from XML configuration
 
void read_style_from_xml_file (xmlNodePtr style_node, int style)
 read style preferences from XML file
 
void read_preferences_from_xml_file ()
 read software preferences from XML file
 
void set_atomes_defaults ()
 set atomes default parameters
 
void set_atomes_preferences ()
 set software default parameters
 
GtkWidget * pref_list (gchar *mess[2], int nelem, gchar *mlist[nelem][2], gchar *end)
 print information message with item list of elements
 
G_MODULE_EXPORT void set_measures (GtkComboBox *box, gpointer data)
 change measure type
 
G_MODULE_EXPORT void set_selection_color (GtkColorChooser *colob, gpointer data)
 change selection color
 
GtkWidget * view_preferences ()
 view preferences
 
G_MODULE_EXPORT void toggled_default_stuff (GtkToggleButton *but, gpointer data)
 toggle set / unset default callback GTK3
 
G_MODULE_EXPORT void set_default_stuff (GtkEntry *res, gpointer data)
 update default number of delta preferences
 
element_radiusduplicate_element_radius (element_radius *old_list)
 duplicate an element radius data structure
 
float get_radius (int object, int col, int z, element_radius *rad_list)
 retrieve the radius/width of a species depending on style
 
element_colorduplicate_element_color (element_color *old_list)
 duplicate an element color data structure
 
ColRGBA get_spec_color (int z, element_color *clist)
 retrieve the color of a chemical species
 
G_MODULE_EXPORT void edit_pref (GtkCellRendererText *cell, gchar *path_string, gchar *new_text, gpointer user_data)
 edit cell in the preferences tree model
 
G_MODULE_EXPORT void edit_chem_preferences (GtkDialog *edit_chem, gint response_id, gpointer data)
 edit chem preferences - running the dialog
 
void color_set_color (GtkTreeViewColumn *col, GtkCellRenderer *renderer, GtkTreeModel *mod, GtkTreeIter *iter, gpointer data)
 set background color
 
void radius_set_color_and_markup (GtkTreeViewColumn *col, GtkCellRenderer *renderer, GtkTreeModel *mod, GtkTreeIter *iter, gpointer data)
 set text font and color
 
gboolean are_identical_colors (ColRGBA col_a, ColRGBA col_b)
 test if two colors are identicals
 
G_MODULE_EXPORT void run_ac_color (GtkDialog *win, gint response_id, gpointer data)
 window color chooser - running the dialog
 
void color_button_event (GtkWidget *widget, double event_x, double event_y, guint event_button, gpointer data)
 species color selection mouse button event
 
G_MODULE_EXPORT gboolean pref_color_button_event (GtkWidget *widget, GdkEvent *event, gpointer data)
 
G_MODULE_EXPORT void set_stuff_color (GtkColorChooser *colob, gpointer data)
 change stuff color
 
G_MODULE_EXPORT void edit_species_parameters (GtkButton *but, gpointer data)
 edit atoms and bonds species related parameters
 
GtkWidget * over_param (int object, int style)
 create override check button and entry
 
GtkWidget * style_tab (int style)
 create preferences tab for a style
 
GtkWidget * model_preferences ()
 model preferences
 
G_MODULE_EXPORT void set_default_style (GtkComboBox *box, gpointer data)
 change default atom(s) and bond(s) style
 
GtkTreeModel * style_combo_tree ()
 create opengl style combo model
 
G_MODULE_EXPORT void set_default_map (GtkComboBox *box, gpointer data)
 change default atom(s) or polyhedra color map
 
GtkWidget * combo_map (int obj)
 create color map combo
 
GtkWidget * opengl_preferences ()
 OpenGL preferences.
 
G_MODULE_EXPORT void set_default_num_delta (GtkEntry *res, gpointer data)
 update default number of delta preferences
 
G_MODULE_EXPORT void tunit_changed (GtkComboBox *box, gpointer data)
 change default time units
 
G_MODULE_EXPORT void totcut_changed (GtkComboBox *box, gpointer data)
 change method to evaluate the total cutoff
 
G_MODULE_EXPORT void edit_pc_value (GtkEntry *res, gpointer data)
 update partial cutoff value
 
G_MODULE_EXPORT void toggled_use_cutoff (GtkToggleButton *but, gpointer data)
 
void add_cut_box ()
 update partial cutoffs widgets
 
gboolean not_in_cutoffs (int z_a, int z_b)
 look in bond cutoff between species a and b is already defined
 
G_MODULE_EXPORT void cut_spec_changed (GtkComboBox *box, gpointer data)
 partial cutoff chemical species
 
bond_cutoffduplicate_cutoffs (bond_cutoff *old_cutoff)
 duplicate bond cutoff data structure
 
G_MODULE_EXPORT void edit_cutoffs (GtkDialog *edit_cuts, gint response_id, gpointer data)
 edit partial cutoffs - running the dialog
 
G_MODULE_EXPORT void set_cutoffs_default (GtkButton *but, gpointer data)
 set default cutoff radii
 
GtkWidget * calc_preferences ()
 analysis preferences
 
void clean_all_tmp ()
 free all temporary buffers
 
void duplicate_rep_data (rep_data *new_rep, rep_data *old_rep)
 duplicate rep_data data structure
 
void duplicate_background_data (background *new_back, background *old_back)
 duplicate background data structure
 
void duplicate_box_data (box *new_box, box *old_box)
 duplicate box_data data structure
 
void duplicate_axis_data (axis *new_axis, axis *old_axis)
 duplicate axis_data data structure
 
void prepare_tmp_default ()
 prepare temporary parameters
 
G_MODULE_EXPORT void update_projects (GtkDialog *proj_sel, gint response_id, gpointer data)
 update projects in the workspace using new preferences
 
G_MODULE_EXPORT void toggled_select_project (GtkToggleButton *but, gpointer data)
 toggle select / unselect project to update callback GTK3
 
void save_preferences ()
 save user preferences
 
void adjust_preferences_window ()
 adjust the widgets of the preferences window
 
G_MODULE_EXPORT void restore_defaults_parameters (GtkButton *but, gpointer data)
 
G_MODULE_EXPORT void edit_preferences (GtkDialog *edit_prefs, gint response_id, gpointer data)
 edit preferences - running the dialog
 
void create_user_preferences_dialog ()
 
G_MODULE_EXPORT void set_default_options (GtkButton *but, gpointer data)
 set options as default options
 
void add_global_option (GtkWidget *vbox, tint *oid)
 add a button to update global user preferences
 

Variables

int search_type
 
float mat_min_max [5][2]
 
gchar * ogl_settings [3][10]
 
GtkWidget * atom_entry_over [8]
 
GtkWidget * bond_entry_over [6]
 
GtkWidget * meas_combo
 
GtkWidget * meas_box [2]
 
GtkWidget * sel_combo
 
GtkWidget * sel_box [2]
 
GtkWidget * preference_notebook = NULL
 
double default_totcut
 
double tmp_totcut
 
bond_cutoffdefault_bond_cutoff
 
bond_cutofftmp_bond_cutoff
 
int * default_num_delta = NULL
 
int * tmp_num_delta = NULL
 
double * default_delta_t = NULL
 
double * tmp_delta_t = NULL
 
int * default_rsparam = NULL
 
int * tmp_rsparam = NULL
 
int * default_csparam = NULL
 
int * tmp_csparam = NULL
 
element_radiusdefault_atomic_rad [16]
 
element_radiustmp_atomic_rad [16]
 
element_radiusdefault_bond_rad [6]
 
element_radiustmp_bond_rad [6]
 
element_colordefault_atom_color [2]
 
element_colortmp_atom_color [2]
 
element_colordefault_label_color [2]
 
element_colortmp_label_color [2]
 
int radius_id
 
int * default_opengl = NULL
 
int * tmp_opengl = NULL
 
Material default_material
 
Material tmp_material
 
Lightning default_lightning
 
Lightning tmp_lightning
 
Fog default_fog
 
Fog tmp_fog
 
gboolean default_clones
 
gboolean tmp_clones
 
gboolean default_cell
 
gboolean tmp_cell
 
gboolean * default_o_at_rs
 
gboolean * tmp_o_at_rs
 
double * default_at_rs
 
double * tmp_at_rs
 
gboolean * default_o_bd_rw
 
gboolean * tmp_o_bd_rw
 
double * default_bd_rw
 
double * tmp_bd_rw
 
screen_label default_label [5]
 
screen_labeltmp_label [5]
 
int default_acl_format [2]
 
int tmp_acl_format [2]
 
gboolean default_mtilt [2]
 
gboolean tmp_mtilt [2]
 
int default_mpattern [2]
 
int tmp_mpattern [2]
 
int default_mfactor [2]
 
int tmp_mfactor [2]
 
double default_mwidth [2]
 
double tmp_mwidth [2]
 
rep_data default_rep
 
rep_datatmp_rep = NULL
 
rep_editionpref_rep_win = NULL
 
background default_background
 
backgroundtmp_background = NULL
 
gradient_editionpref_gradient_win = NULL
 
box default_box
 
boxtmp_box = NULL
 
box_editionpref_box_win = NULL
 
axis default_axis
 
axistmp_axis = NULL
 
axis_editionpref_axis_win = NULL
 
ColRGBA default_sel_color [2]
 
ColRGBA tmp_sel_color [2]
 
gboolean preferences = FALSE
 
opengl_editionpref_ogl_edit = NULL
 
gchar * pref_error = NULL
 
tintpref_pointer = NULL
 
gchar * xml_style_leg [6] = {"ball_and_stick", "wireframes", "spacefilled", "spheres", "cylinders", "dots"}
 
gchar * xml_filled_leg [4] = {"covalent", "ionic", "van-der-waals", "crystal"}
 
gchar * xml_atom_leg [3] = {"atoms_radius", "dot_size", "sphere_radius"}
 
gchar * xml_bond_leg [3] = {"bond_radius", "wireframe_width", "cylinder_radius"}
 
int label_id
 
int the_object
 
element_radius ** edit_list
 
element_colorcolor_list
 
GtkWidget * pref_tree
 
gboolean user_defined
 
GtkWidget * edit_scrol
 
GtkWidget * edit_colob
 
ColRGBAtmp_color
 
GtkWidget * all_cut_box
 
GtkWidget * cut_combo [2]
 
GtkWidget * pcut_box [2]
 
GtkWidget * tcut_entry
 
GtkWidget * tcut_box
 
GtkWidget * cut_comments
 
bond_cutoffcut_list
 
gboolean * up_project
 

Detailed Description

Functions to create the 'User preferences' window.

Author
Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file preferences.c.

Function Documentation

◆ add_cut_box()

void add_cut_box ( )

update partial cutoffs widgets

Definition at line 3904 of file preferences.c.

◆ add_global_option()

void add_global_option ( GtkWidget * vbox,
tint * oid )

add a button to update global user preferences

Parameters
thewidget to insert the button in
oidthe option id pointer

Definition at line 4932 of file preferences.c.

◆ adjust_preferences_window()

void adjust_preferences_window ( )

adjust the widgets of the preferences window

Definition at line 4687 of file preferences.c.

◆ adv_box()

GtkWidget * adv_box ( GtkWidget * box,
char * lab,
int vspace,
int size,
float xalign )
extern

create a box with markup label

Parameters
boxthe box to insert the widget in
lablabel
vspacevertical space
sizesize
xalignx alignement

Definition at line 151 of file w_advance.c.

◆ apply_default_parameters_to_project()

void apply_default_parameters_to_project ( project * this_proj)
extern

apply new default parameters to project

Parameters
this_projthe target project

Definition at line 86 of file init_p.c.

◆ are_identical_colors()

gboolean are_identical_colors ( ColRGBA col_a,
ColRGBA col_b )

test if two colors are identicals

Parameters
col_afirst color to test
col_bsecond color to test

Definition at line 2977 of file preferences.c.

◆ axis_advanced()

G_MODULE_EXPORT void axis_advanced ( GtkWidget * widg,
gpointer data )
extern

create the axis advanced parameters window

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 786 of file w_axis.c.

◆ box_advanced()

G_MODULE_EXPORT void box_advanced ( GtkWidget * widg,
gpointer data )
extern

create the box edition window

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 338 of file w_box.c.

◆ calc_preferences()

GtkWidget * calc_preferences ( )

analysis preferences

Definition at line 4131 of file preferences.c.

◆ calc_rings()

void calc_rings ( GtkWidget * vbox)
extern

creation of the rings statistics calculation widgets

Parameters
vboxGtkWidget that will receive the data

Definition at line 516 of file calc_menu.c.

◆ clean_all_tmp()

void clean_all_tmp ( )

free all temporary buffers

Definition at line 4241 of file preferences.c.

◆ color_button_event()

void color_button_event ( GtkWidget * widget,
double event_x,
double event_y,
guint event_button,
gpointer data )

species color selection mouse button event

Parameters
widgetthe GtkWidget sending the signal
event_xx position
event_yy position
event_buttonevent buttton
datathe associated data pointer

Definition at line 3090 of file preferences.c.

◆ color_set_color()

void color_set_color ( GtkTreeViewColumn * col,
GtkCellRenderer * renderer,
GtkTreeModel * mod,
GtkTreeIter * iter,
gpointer data )

set background color

Parameters
colthe tree view column
rendererthe column renderer
modthe tree model
iterthe tree iter
datathe associated data pointer

Definition at line 2892 of file preferences.c.

◆ combo_map()

GtkWidget * combo_map ( int obj)

create color map combo

Parameters
obj0 = atom(s), 1 = polyhedra

Definition at line 3693 of file preferences.c.

◆ copy_light_sources()

Light * copy_light_sources ( int dima,
int dimb,
Light * old_sp )
extern

create a copy of a list of light sources

Parameters
dimanew list size
dimbold list size to duplicate
old_spold light sources

Definition at line 402 of file w_advance.c.

◆ create_user_preferences_dialog()

void create_user_preferences_dialog ( )

Definition at line 4802 of file preferences.c.

◆ cut_spec_changed()

G_MODULE_EXPORT void cut_spec_changed ( GtkComboBox * box,
gpointer data )

partial cutoff chemical species

Parameters
boxthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 3977 of file preferences.c.

◆ duplicate_axis_data()

void duplicate_axis_data ( axis * new_axis,
axis * old_axis )

duplicate axis_data data structure

Parameters
new_axisthe new axis_data structure
old_axisthe axis_data structure to copy

Definition at line 4415 of file preferences.c.

◆ duplicate_background_data()

void duplicate_background_data ( background * new_back,
background * old_back )

duplicate background data structure

Parameters
new_backthe new background structure
old_backthe background structure to copy

Definition at line 4378 of file preferences.c.

◆ duplicate_box_data()

void duplicate_box_data ( box * new_box,
box * old_box )

duplicate box_data data structure

Parameters
new_boxthe new box structure
old_boxthe box structure to copy

Definition at line 4399 of file preferences.c.

◆ duplicate_cutoffs()

bond_cutoff * duplicate_cutoffs ( bond_cutoff * old_cutoff)

duplicate bond cutoff data structure

Parameters
old_cutoffthe cutoff data structure to duplicate

Definition at line 4021 of file preferences.c.

◆ duplicate_element_color()

element_color * duplicate_element_color ( element_color * old_list)

duplicate an element color data structure

Parameters
old_listthe data structure to duplicate

Definition at line 2626 of file preferences.c.

◆ duplicate_element_radius()

element_radius * duplicate_element_radius ( element_radius * old_list)

duplicate an element radius data structure

Parameters
old_listthe data structure to duplicate

Definition at line 2532 of file preferences.c.

◆ duplicate_fog()

void duplicate_fog ( Fog * new_fog,
Fog * old_fog )
extern

duplicate fog data

Parameters
new_fogthe new fog data
old_fogthe old fog data to be copied

Definition at line 203 of file ogl_draw.c.

◆ duplicate_material()

void duplicate_material ( Material * new_mat,
Material * old_mat )
extern

duplicate material data

Parameters
new_matthe new material data
old_matthe old material data to be copied

Definition at line 186 of file ogl_draw.c.

◆ duplicate_rep_data()

void duplicate_rep_data ( rep_data * new_rep,
rep_data * old_rep )

duplicate rep_data data structure

Parameters
new_repthe new rep_data structure
old_repthe rep_data structure to copy

Definition at line 4356 of file preferences.c.

◆ duplicate_screen_label()

void duplicate_screen_label ( screen_label * new_lab,
screen_label * old_lab )
extern

copy screen_label data structure

Parameters
new_labthe new screen_label structure
old_labthe old screen_label structure to be copied

Definition at line 239 of file ogl_draw.c.

◆ edit_bonds()

void edit_bonds ( GtkWidget * vbox)
extern

creation of the edit bond cutoff widgets

Parameters
vboxthe GtkWidget to store the data

Definition at line 699 of file edit_menu.c.

◆ edit_chem_preferences()

G_MODULE_EXPORT void edit_chem_preferences ( GtkDialog * edit_chem,
gint response_id,
gpointer data )

edit chem preferences - running the dialog

Parameters
edit_prefsthe GtkDialog sending the signal
response_idthe response id
datathe associated data pointer

Definition at line 2805 of file preferences.c.

◆ edit_cutoffs()

G_MODULE_EXPORT void edit_cutoffs ( GtkDialog * edit_cuts,
gint response_id,
gpointer data )

edit partial cutoffs - running the dialog

Parameters
edit_cutsthe GtkDialog sending the signal
response_idthe response id
datathe associated data pointer

Definition at line 4060 of file preferences.c.

◆ edit_pc_value()

G_MODULE_EXPORT void edit_pc_value ( GtkEntry * res,
gpointer data )

update partial cutoff value

Parameters
resthe GtkEntry the signal is coming from
datathe associated data pointer

Definition at line 3861 of file preferences.c.

◆ edit_pref()

G_MODULE_EXPORT void edit_pref ( GtkCellRendererText * cell,
gchar * path_string,
gchar * new_text,
gpointer user_data )

edit cell in the preferences tree model

Parameters
cellthe GtkCellRendererText sending the signal
path_stringthe path in the tree model
new_textthe string describing the new value
user_datathe associated data pointer

Definition at line 2681 of file preferences.c.

◆ edit_preferences()

G_MODULE_EXPORT void edit_preferences ( GtkDialog * edit_prefs,
gint response_id,
gpointer data )

edit preferences - running the dialog

Parameters
edit_prefsthe GtkDialog sending the signal
response_idthe response id
datathe associated data pointer

Definition at line 4757 of file preferences.c.

◆ edit_species_parameters()

G_MODULE_EXPORT void edit_species_parameters ( GtkButton * but,
gpointer data )

edit atoms and bonds species related parameters

Parameters
butthe GtkButton sending the signal
datathe associated data pointer

Definition at line 3188 of file preferences.c.

◆ findnode()

xmlNodePtr findnode ( xmlNodePtr startnode,
char * nname )
extern

find XML node

Parameters
startnodeStarting node
nnameNode name to find

Definition at line 546 of file read_isaacs.c.

◆ fog_tab()

GtkWidget * fog_tab ( glwin * view,
opengl_edition * ogl_edit,
Fog * the_fog )
extern

OpenGL fog parameters tab.

Parameters
viewthe target glwin
ogl_editthe target OpenGL edition window
the_fogthe target fog data structure

Definition at line 1566 of file w_advance.c.

◆ get_radius()

float get_radius ( int object,
int col,
int z,
element_radius * rad_list )

retrieve the radius/width of a species depending on style

Parameters
objectthe object to look at
colmodifier for tabulated radii
zatomic number
rad_listpre allocated data, if any

Definition at line 2564 of file preferences.c.

◆ get_spec_color()

ColRGBA get_spec_color ( int z,
element_color * clist )

retrieve the color of a chemical species

Parameters
zatomic number
clistthe target color list, if any

Definition at line 2656 of file preferences.c.

◆ gradient_advanced()

G_MODULE_EXPORT void gradient_advanced ( GtkWidget * widg,
gpointer data )
extern

Background configuration window.

Parameters
widgthe widget sending the signal, if any
theassociated data pointer

Definition at line 434 of file w_colors.c.

◆ init_light_source()

Light init_light_source ( int type,
float val,
float vbl )
extern

initialize a light source

Parameters
typethe type of light
sizedepth or max (a,b,c)
depthfield depth
intens

Definition at line 337 of file w_advance.c.

◆ labels_tab()

GtkWidget * labels_tab ( glwin * view,
int lid )
extern

create atomic label(s) tab for the atom(s) / clone(s) window

Parameters
viewthe target glwin
lidlabel type (0 = atoms, 1 = clones, 3 = analysis measures, 4 = edition mode measures)

Definition at line 624 of file w_labels.c.

◆ lightning_fix()

GtkWidget * lightning_fix ( glwin * view,
Material * this_material )
extern

Definition at line 1296 of file w_advance.c.

◆ lights_tab()

GtkWidget * lights_tab ( glwin * view,
opengl_edition * ogl_edit,
Lightning * the_lightning )
extern

OpenGL light(s) parameters tab.

Parameters
viewthe target glwin
ogl_editthe target OpenGL edition window
ogl_lightningthe target lightning data structure

Definition at line 938 of file w_advance.c.

◆ materials_tab()

GtkWidget * materials_tab ( glwin * view,
opengl_edition * ogl_edit,
Material * the_mat )
extern

OpenGL material parameters tab.

Parameters
viewthe target glwin
ogl_editthe target OpenGL edition window
the_matthe target material data structure

Definition at line 1323 of file w_advance.c.

◆ model_preferences()

GtkWidget * model_preferences ( )

model preferences

Definition at line 3547 of file preferences.c.

◆ not_in_cutoffs()

gboolean not_in_cutoffs ( int z_a,
int z_b )

look in bond cutoff between species a and b is already defined

Definition at line 3958 of file preferences.c.

◆ opengl_preferences()

GtkWidget * opengl_preferences ( )

OpenGL preferences.

Definition at line 3709 of file preferences.c.

◆ over_param()

GtkWidget * over_param ( int object,
int style )

create override check button and entry

Parameters
object0 = atoms, 1 = bonds
stylestyle id number

Definition at line 3422 of file preferences.c.

◆ pref_color_button_event()

G_MODULE_EXPORT gboolean pref_color_button_event ( GtkWidget * widget,
GdkEvent * event,
gpointer data )

Definition at line 3156 of file preferences.c.

◆ pref_list()

GtkWidget * pref_list ( gchar * mess[2],
int nelem,
gchar * mlist[nelem][2],
gchar * end )

print information message with item list of elements

Parameters
messmain information message
nelemnumber of elements in the list
mlsititem list
endend message, if any

Definition at line 2275 of file preferences.c.

◆ prepare_tmp_default()

void prepare_tmp_default ( )

prepare temporary parameters

Definition at line 4441 of file preferences.c.

◆ radius_set_color_and_markup()

void radius_set_color_and_markup ( GtkTreeViewColumn * col,
GtkCellRenderer * renderer,
GtkTreeModel * mod,
GtkTreeIter * iter,
gpointer data )

set text font and color

Parameters
colthe tree view column
rendererthe column renderer
modthe tree model
iterthe tree iter
datathe associated data pointer

Definition at line 2912 of file preferences.c.

◆ read_light()

void read_light ( xmlNodePtr light_node)

read light preferences from XML configuration

Parameters
light_node

Definition at line 1724 of file preferences.c.

◆ read_parameter()

void read_parameter ( xmlNodePtr parameter_node)

read preferences from XML configuration

Parameters
parameter_nodenode the XML node that point to parameter

Definition at line 1609 of file preferences.c.

◆ read_preferences()

void read_preferences ( xmlNodePtr preference_node)

read preferences from XML configuration

Parameters
preference_nodenode the XML node that point to preferences

Definition at line 1805 of file preferences.c.

◆ read_preferences_from_xml_file()

void read_preferences_from_xml_file ( )

read software preferences from XML file

Definition at line 1862 of file preferences.c.

◆ read_style_from_xml_file()

void read_style_from_xml_file ( xmlNodePtr style_node,
int style )

read style preferences from XML file

Parameters
style_nodethe XML node that point to style data
stylethe target style

Definition at line 1820 of file preferences.c.

◆ representation_advanced()

G_MODULE_EXPORT void representation_advanced ( GtkWidget * widg,
gpointer data )
extern

open advanced representation dialog

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 424 of file m_rep.c.

◆ restore_defaults_parameters()

G_MODULE_EXPORT void restore_defaults_parameters ( GtkButton * but,
gpointer data )

Definition at line 4726 of file preferences.c.

◆ run_ac_color()

G_MODULE_EXPORT void run_ac_color ( GtkDialog * win,
gint response_id,
gpointer data )

window color chooser - running the dialog

Parameters
winthe GtkDialog sending the signal
response_idthe response id
datathe associated data pointer

Definition at line 2995 of file preferences.c.

◆ save_preferences()

void save_preferences ( )

save user preferences

Definition at line 4559 of file preferences.c.

◆ save_preferences_to_xml_file()

int save_preferences_to_xml_file ( )

save software preferences to XML file

Definition at line 414 of file preferences.c.

◆ scale_quality()

G_MODULE_EXPORT void scale_quality ( GtkRange * range,
gpointer data )
extern

update OpenGL quality - range callback

Parameters
rangethe GtkRange sending the signal
datathe associated data pointer

Definition at line 1280 of file w_advance.c.

◆ scroll_scale_quality()

G_MODULE_EXPORT gboolean scroll_scale_quality ( GtkRange * range,
GtkScrollType scroll,
gdouble value,
gpointer data )
extern

update OpenGL quality - scroll callback

Parameters
rangethe GtkRange sending the signal
scrollthe associated scroll type
valuethe range value
datathe associated data pointer

Definition at line 1263 of file w_advance.c.

◆ set_atomes_defaults()

void set_atomes_defaults ( )

set atomes default parameters

Definition at line 2050 of file preferences.c.

◆ set_atomes_preferences()

void set_atomes_preferences ( )

set software default parameters

Definition at line 2248 of file preferences.c.

◆ set_cutoffs_default()

G_MODULE_EXPORT void set_cutoffs_default ( GtkButton * but,
gpointer data )

set default cutoff radii

Parameters
butthe GtkButton sending the signal
datathe associated data pointer

Definition at line 4092 of file preferences.c.

◆ set_default_map()

G_MODULE_EXPORT void set_default_map ( GtkComboBox * box,
gpointer data )

change default atom(s) or polyhedra color map

Parameters
boxthe GtkComboBox sending the signal
datathe associated data pointer

Definition at line 3678 of file preferences.c.

◆ set_default_num_delta()

G_MODULE_EXPORT void set_default_num_delta ( GtkEntry * res,
gpointer data )

update default number of delta preferences

Parameters
resthe GtkEntry the signal is coming from
datathe associated data pointer

Definition at line 3784 of file preferences.c.

◆ set_default_options()

G_MODULE_EXPORT void set_default_options ( GtkButton * but,
gpointer data )

set options as default options

Parameters
butthe GtkButton sending the signal
datathe associated data pointer

Definition at line 4861 of file preferences.c.

◆ set_default_stuff()

G_MODULE_EXPORT void set_default_stuff ( GtkEntry * res,
gpointer data )

update default number of delta preferences

Parameters
resthe GtkEntry the signal is coming from
datathe associated data pointer

Definition at line 2508 of file preferences.c.

◆ set_default_style()

G_MODULE_EXPORT void set_default_style ( GtkComboBox * box,
gpointer data )

change default atom(s) and bond(s) style

Parameters
boxthe GtkComboBox sending the signal
datathe associated data pointer

Definition at line 3629 of file preferences.c.

◆ set_measures()

G_MODULE_EXPORT void set_measures ( GtkComboBox * box,
gpointer data )

change measure type

Parameters
boxthe GtkComboBox sending the signal
datathe associated data pointer

Definition at line 2311 of file preferences.c.

◆ set_parameter()

void set_parameter ( gchar * content,
gchar * key,
int vid,
dint * bond,
vec3_t * vect,
float start,
float end,
ColRGBA * col )

set default parameter

Parameters
contentthe string content
keythe name of variable to set
vidthe id number to set
bondatoms, if any
vectvector to set, if any
startinitial value, if any, -1.0 otherwise
endfinal value, if any, -1.0 otherwise
colcolor to set, if any

Definition at line 1215 of file preferences.c.

◆ set_selection_color()

G_MODULE_EXPORT void set_selection_color ( GtkColorChooser * colob,
gpointer data )

change selection color

Parameters
colobthe GtkColorChooser sending the signal
datathe associated data pointer

Definition at line 2336 of file preferences.c.

◆ set_stuff_color()

G_MODULE_EXPORT void set_stuff_color ( GtkColorChooser * colob,
gpointer data )

change stuff color

Parameters
colobthe GtkColorChooser sending the signal
datathe associated data pointer

Definition at line 3175 of file preferences.c.

◆ setup_fog_dialogs()

void setup_fog_dialogs ( opengl_edition * ogl_edit,
int fid )
extern

update OpenGL fog tab based of fog type

Parameters
ogl_editthe target opengl_edition
fidthe fog mode

Definition at line 1509 of file w_advance.c.

◆ style_combo_tree()

GtkTreeModel * style_combo_tree ( )

create opengl style combo model

Definition at line 3646 of file preferences.c.

◆ style_tab()

GtkWidget * style_tab ( int style)

create preferences tab for a style

Parameters
stylethe style for this tab

Definition at line 3474 of file preferences.c.

◆ substitute_string()

gchar * substitute_string ( gchar * init,
gchar * o_motif,
gchar * n_motif )
extern

substitute all patterns in string

Parameters
initthe initial string
o_motifthe pattern to replace
n_motifthe new pattern

Definition at line 372 of file w_library.c.

◆ toggled_default_stuff()

G_MODULE_EXPORT void toggled_default_stuff ( GtkToggleButton * but,
gpointer data )

toggle set / unset default callback GTK3

Parameters
butthe GtkToggleButton sending the signal
datathe associated data pointer

Definition at line 2452 of file preferences.c.

◆ toggled_select_project()

G_MODULE_EXPORT void toggled_select_project ( GtkToggleButton * but,
gpointer data )

toggle select / unselect project to update callback GTK3

Parameters
butthe GtkToggleButton sending the signal
datathe associated data pointer

Definition at line 4548 of file preferences.c.

◆ toggled_use_cutoff()

G_MODULE_EXPORT void toggled_use_cutoff ( GtkToggleButton * but,
gpointer data )

Definition at line 3892 of file preferences.c.

◆ totcut_changed()

G_MODULE_EXPORT void totcut_changed ( GtkComboBox * box,
gpointer data )

change method to evaluate the total cutoff

Parameters
boxthe GtkComboBox sending the signal
datathe associated data pointer

Definition at line 3838 of file preferences.c.

◆ tunit_changed()

G_MODULE_EXPORT void tunit_changed ( GtkComboBox * box,
gpointer data )

change default time units

Parameters
boxthe GtkComboBox sending the signal
datathe associated data pointer

Definition at line 3817 of file preferences.c.

◆ update_gradient_widgets()

void update_gradient_widgets ( gradient_edition * gradient_win,
background * back )
extern

update the widgets of the gradient window

Parameters
gradient_winthe target gradient edition
backthe target background information

Definition at line 84 of file w_colors.c.

◆ update_light_data()

void update_light_data ( int li,
opengl_edition * ogl_win )
extern

update light data

Parameters
lithe light id
ogl_winthe target OpenGL edition window

Definition at line 474 of file w_advance.c.

◆ update_projects()

G_MODULE_EXPORT void update_projects ( GtkDialog * proj_sel,
gint response_id,
gpointer data )

update projects in the workspace using new preferences

Parameters
proj_selthe GtkDialog sending the signal
response_idthe response id
datathe associated data pointer

Definition at line 4509 of file preferences.c.

◆ view_preferences()

GtkWidget * view_preferences ( )

view preferences

Definition at line 2347 of file preferences.c.

◆ xml_save_color_to_file()

int xml_save_color_to_file ( xmlTextWriterPtr writer,
int did,
gchar * legend,
gchar * key,
ColRGBA col )

save color data (red, green, blue, alpha) to XML file

Parameters
writerthe XML writer to update
didid, if any
legendthe corresponding legend
datathe data to save

Definition at line 291 of file preferences.c.

◆ xml_save_parameter_to_file()

int xml_save_parameter_to_file ( xmlTextWriterPtr writer,
gchar * xml_leg,
gchar * xml_key,
gboolean doid,
int xml_id,
gchar * value )

save single parameter to XML file

Parameters
writerthe XML writer to update
xml_leginformation
xml_keykey
doidadd id attribute to parameter (1/0)
xml_idvalue for id
valueparameter to write

Definition at line 385 of file preferences.c.

◆ xml_save_xyz_to_file()

int xml_save_xyz_to_file ( xmlTextWriterPtr writer,
int did,
gchar * legend,
gchar * key,
vec3_t data )

save vector data (x,y,z) to XML file

Parameters
writerthe XML writer to update
didid, if any
legendthe corresponding legend
datathe data to save

Definition at line 339 of file preferences.c.

◆ xml_string_to_double()

double xml_string_to_double ( gchar * content)

convert XML string to double

Parameters
contentthe string to convert

Definition at line 1196 of file preferences.c.

Variable Documentation

◆ all_cut_box

GtkWidget* all_cut_box

Definition at line 3822 of file preferences.c.

◆ atom_entry_over

GtkWidget* atom_entry_over[8]

Definition at line 169 of file preferences.c.

◆ bond_entry_over

GtkWidget* bond_entry_over[6]

Definition at line 170 of file preferences.c.

◆ color_list

element_color* color_list

Definition at line 2426 of file preferences.c.

◆ cut_combo

GtkWidget* cut_combo[2]

Definition at line 3823 of file preferences.c.

◆ cut_comments

GtkWidget* cut_comments

Definition at line 3827 of file preferences.c.

◆ cut_list

bond_cutoff* cut_list

Definition at line 3828 of file preferences.c.

◆ default_acl_format

int default_acl_format[2]

Definition at line 244 of file preferences.c.

◆ default_at_rs

double* default_at_rs

Definition at line 235 of file preferences.c.

◆ default_atom_color

element_color* default_atom_color[2]

Definition at line 212 of file preferences.c.

◆ default_atomic_rad

element_radius* default_atomic_rad[16]

Definition at line 206 of file preferences.c.

◆ default_axis

axis default_axis

Definition at line 264 of file preferences.c.

◆ default_background

background default_background

Definition at line 258 of file preferences.c.

◆ default_bd_rw

double* default_bd_rw

Definition at line 239 of file preferences.c.

◆ default_bond_cutoff

bond_cutoff* default_bond_cutoff

Definition at line 179 of file preferences.c.

◆ default_bond_rad

element_radius* default_bond_rad[6]

Definition at line 209 of file preferences.c.

◆ default_box

box default_box

Definition at line 261 of file preferences.c.

◆ default_cell

gboolean default_cell

Definition at line 231 of file preferences.c.

◆ default_clones

gboolean default_clones

Definition at line 229 of file preferences.c.

◆ default_csparam

int* default_csparam = NULL

Chain statistics parameters:
0 = Initial node(s) for the search: selected chemical species or all atoms,
1 = Maximum size for a chain Cmax,
2 = Maximum number of chain(s) per MD step CNUMA,
3 = Search only for AAAA chains or not,
4 = Search only for ABAB chains or not,
5 = Include Homopolar bond(s) in the analysis or not,
6 = Search only for 1-(2)n-1 chains

Definition at line 195 of file preferences.c.

◆ default_delta_t

double* default_delta_t = NULL

0 = time step,
1 = time unit , in: fs, ps, ns, µs, ms

Definition at line 183 of file preferences.c.

◆ default_fog

Fog default_fog

Definition at line 225 of file preferences.c.

◆ default_label

screen_label default_label[5]

Definition at line 242 of file preferences.c.

◆ default_label_color

element_color* default_label_color[2]

Definition at line 214 of file preferences.c.

◆ default_lightning

Lightning default_lightning

Definition at line 223 of file preferences.c.

◆ default_material

Material default_material

Definition at line 221 of file preferences.c.

◆ default_mfactor

int default_mfactor[2]

Definition at line 250 of file preferences.c.

◆ default_mpattern

int default_mpattern[2]

Definition at line 248 of file preferences.c.

◆ default_mtilt

gboolean default_mtilt[2]

Definition at line 246 of file preferences.c.

◆ default_mwidth

double default_mwidth[2]

Definition at line 252 of file preferences.c.

◆ default_num_delta

int* default_num_delta = NULL

Number of x points:
0 = gr,
1 = sq,
2 = sk,
3 = gftt,
4 = bd,
5 = an,
6 = sp
7 = msd

Definition at line 181 of file preferences.c.

◆ default_o_at_rs

gboolean* default_o_at_rs

Definition at line 233 of file preferences.c.

◆ default_o_bd_rw

gboolean* default_o_bd_rw

Definition at line 237 of file preferences.c.

◆ default_opengl

int* default_opengl = NULL

Definition at line 219 of file preferences.c.

◆ default_rep

rep_data default_rep

Definition at line 255 of file preferences.c.

◆ default_rsparam

int* default_rsparam = NULL

Ring statistics parameters:
0 = Default search,
1 = Initial node(s) for the search: selected chemical species or all atoms,
2 = Maximum size of ring for the search Rmax,
3 = Maximum number of ring(s) per MD step NUMA,
4 = Search only for ABAB rings or not,
5 = Include Homopolar bond(s) in the analysis or not,
6 = Include homopolar bond(s) when calculating the distance matrix

Definition at line 186 of file preferences.c.

◆ default_sel_color

ColRGBA default_sel_color[2]

Definition at line 267 of file preferences.c.

◆ default_totcut

double default_totcut

Definition at line 177 of file preferences.c.

◆ edit_colob

GtkWidget* edit_colob

Definition at line 2430 of file preferences.c.

◆ edit_list

element_radius** edit_list

Definition at line 2425 of file preferences.c.

◆ edit_scrol

GtkWidget* edit_scrol

Definition at line 2429 of file preferences.c.

◆ label_id

int label_id

Definition at line 1187 of file preferences.c.

◆ mat_min_max

float mat_min_max[5][2]
extern

Definition at line 113 of file w_advance.c.

◆ meas_box

GtkWidget* meas_box[2]

Definition at line 172 of file preferences.c.

◆ meas_combo

GtkWidget* meas_combo

Definition at line 171 of file preferences.c.

◆ ogl_settings

gchar* ogl_settings[3][10]
extern

Definition at line 119 of file w_advance.c.

◆ pcut_box

GtkWidget* pcut_box[2]

Definition at line 3824 of file preferences.c.

◆ pref_axis_win

axis_edition* pref_axis_win = NULL

Definition at line 266 of file preferences.c.

◆ pref_box_win

box_edition* pref_box_win = NULL

Definition at line 263 of file preferences.c.

◆ pref_error

gchar* pref_error = NULL

Definition at line 272 of file preferences.c.

◆ pref_gradient_win

gradient_edition* pref_gradient_win = NULL

Definition at line 260 of file preferences.c.

◆ pref_ogl_edit

opengl_edition* pref_ogl_edit = NULL

Definition at line 271 of file preferences.c.

◆ pref_pointer

tint* pref_pointer = NULL

Definition at line 274 of file preferences.c.

◆ pref_rep_win

rep_edition* pref_rep_win = NULL

Definition at line 257 of file preferences.c.

◆ pref_tree

GtkWidget* pref_tree

Definition at line 2427 of file preferences.c.

◆ preference_notebook

GtkWidget* preference_notebook = NULL

Definition at line 175 of file preferences.c.

◆ preferences

gboolean preferences = FALSE

Definition at line 270 of file preferences.c.

◆ radius_id

int radius_id

Definition at line 217 of file preferences.c.

◆ search_type

int search_type
extern

Definition at line 92 of file calc_menu.c.

◆ sel_box

GtkWidget* sel_box[2]

Definition at line 174 of file preferences.c.

◆ sel_combo

GtkWidget* sel_combo

Definition at line 173 of file preferences.c.

◆ tcut_box

GtkWidget* tcut_box

Definition at line 3826 of file preferences.c.

◆ tcut_entry

GtkWidget* tcut_entry

Definition at line 3825 of file preferences.c.

◆ the_object

int the_object

Definition at line 2424 of file preferences.c.

◆ tmp_acl_format

int tmp_acl_format[2]

Definition at line 245 of file preferences.c.

◆ tmp_at_rs

double* tmp_at_rs

Definition at line 236 of file preferences.c.

◆ tmp_atom_color

element_color* tmp_atom_color[2]

Definition at line 213 of file preferences.c.

◆ tmp_atomic_rad

element_radius* tmp_atomic_rad[16]

Definition at line 207 of file preferences.c.

◆ tmp_axis

axis* tmp_axis = NULL

Definition at line 265 of file preferences.c.

◆ tmp_background

background* tmp_background = NULL

Definition at line 259 of file preferences.c.

◆ tmp_bd_rw

double* tmp_bd_rw

Definition at line 240 of file preferences.c.

◆ tmp_bond_cutoff

bond_cutoff* tmp_bond_cutoff

Definition at line 180 of file preferences.c.

◆ tmp_bond_rad

element_radius* tmp_bond_rad[6]

Definition at line 210 of file preferences.c.

◆ tmp_box

box* tmp_box = NULL

Definition at line 262 of file preferences.c.

◆ tmp_cell

gboolean tmp_cell

Definition at line 232 of file preferences.c.

◆ tmp_clones

gboolean tmp_clones

Definition at line 230 of file preferences.c.

◆ tmp_color

ColRGBA* tmp_color

Definition at line 2431 of file preferences.c.

◆ tmp_csparam

int* tmp_csparam = NULL

Definition at line 203 of file preferences.c.

◆ tmp_delta_t

double* tmp_delta_t = NULL

Definition at line 184 of file preferences.c.

◆ tmp_fog

Fog tmp_fog

Definition at line 226 of file preferences.c.

◆ tmp_label

screen_label* tmp_label[5]

Definition at line 243 of file preferences.c.

◆ tmp_label_color

element_color* tmp_label_color[2]

Definition at line 215 of file preferences.c.

◆ tmp_lightning

Lightning tmp_lightning

Definition at line 224 of file preferences.c.

◆ tmp_material

Material tmp_material

Definition at line 222 of file preferences.c.

◆ tmp_mfactor

int tmp_mfactor[2]

Definition at line 251 of file preferences.c.

◆ tmp_mpattern

int tmp_mpattern[2]

Definition at line 249 of file preferences.c.

◆ tmp_mtilt

gboolean tmp_mtilt[2]

Definition at line 247 of file preferences.c.

◆ tmp_mwidth

double tmp_mwidth[2]

Definition at line 253 of file preferences.c.

◆ tmp_num_delta

int* tmp_num_delta = NULL

Definition at line 182 of file preferences.c.

◆ tmp_o_at_rs

gboolean* tmp_o_at_rs

Definition at line 234 of file preferences.c.

◆ tmp_o_bd_rw

gboolean* tmp_o_bd_rw

Definition at line 238 of file preferences.c.

◆ tmp_opengl

int* tmp_opengl = NULL

Definition at line 220 of file preferences.c.

◆ tmp_rep

rep_data* tmp_rep = NULL

Definition at line 256 of file preferences.c.

◆ tmp_rsparam

int* tmp_rsparam = NULL

Definition at line 194 of file preferences.c.

◆ tmp_sel_color

ColRGBA tmp_sel_color[2]

Definition at line 268 of file preferences.c.

◆ tmp_totcut

double tmp_totcut

Definition at line 178 of file preferences.c.

◆ up_project

gboolean* up_project

Definition at line 4498 of file preferences.c.

◆ user_defined

gboolean user_defined

Definition at line 2428 of file preferences.c.

◆ xml_atom_leg

gchar* xml_atom_leg[3] = {"atoms_radius", "dot_size", "sphere_radius"}

Definition at line 278 of file preferences.c.

◆ xml_bond_leg

gchar* xml_bond_leg[3] = {"bond_radius", "wireframe_width", "cylinder_radius"}

Definition at line 279 of file preferences.c.

◆ xml_filled_leg

gchar* xml_filled_leg[4] = {"covalent", "ionic", "van-der-waals", "crystal"}

Definition at line 277 of file preferences.c.

◆ xml_style_leg

gchar* xml_style_leg[6] = {"ball_and_stick", "wireframes", "spacefilled", "spheres", "cylinders", "dots"}

Definition at line 276 of file preferences.c.