atomes 1.1.14
atomes: an atomic scale modeling tool box
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interface.c File Reference

General messaging functions. More...

#include "global.h"
#include "bind.h"
#include "callbacks.h"
#include "project.h"
#include "curve.h"
#include "affero.h"
+ Include dependency graph for interface.c:

Go to the source code of this file.

Functions

gchar * substitute_string (gchar *init, gchar *o_motif, gchar *n_motif)
 substitute all patterns in string
 
GtkWidget * addweb (int id)
 create a widget to present
 
G_MODULE_EXPORT void create_about_dialog (GtkWidget *widg, gpointer data)
 create the about dialog
 
void show_web (GtkWidget *dialog, int id)
 add / show web information to widget
 
void show_info (char *information, int val, GtkWidget *win)
 add / show information message to widget
 
void show_warning (char *warning, GtkWidget *win)
 show warning
 
void show_warning_ (char *warning, char *sub, char *tab)
 show warning from Fortran90
 
void show_error (char *error, int val, GtkWidget *win)
 show error message
 
void show_error_ (char *error, char *sub, char *tab)
 show error from Fortran90
 
G_MODULE_EXPORT void run_yes_no (GtkDialog *dial, gint response_id, gpointer data)
 ask yes or no for something: running dialog
 
gboolean ask_yes_no (gchar *title, gchar *text, int type, GtkWidget *widg)
 ask yes or no for something: prepare dialog
 
gchar * exact_name (gchar *name)
 short cut to print string without spaces
 
GtkWidget * show_pop (char *pop, GtkWidget *pwin)
 display pop information window
 
G_MODULE_EXPORT gboolean leaving_question (GtkWidget *widget, GdkEvent *event, gpointer data)
 Leaving atomes ?
 
int dummy_ask_ (char *question)
 Ask to use dummy atoms or not from Fortran90.
 
G_MODULE_EXPORT void on_answer_changed (GtkWidget *widg, gpointer data)
 Handling the GtkComboBox in 'int iask'.
 
G_MODULE_EXPORT void run_iask (GtkDialog *iask, gint response_id, gpointer data)
 enter an integer value - running the dialog
 
int iask (char *question, char *lab, int id, GtkWidget *win)
 enter an integer value - prepare the dialog
 
G_MODULE_EXPORT void run_cask (GtkDialog *cask, gint response_id, gpointer data)
 enter a string - running the dialog
 
gchar * cask (char *question, char *lab, int id, char *old, GtkWidget *win)
 enter a string - prepare the dialog
 
void init_data_ (int *nats, int *nspc, int *stps, int *cid)
 update project data using information from Fortran90
 
void spec_data_ (int *status, int *ind, int *atd, int *nsp, char *lbel, char *el_nme, double *amss, double *rdus, double *nscatt, double *xscatt)
 update project data using information from Fortran90
 
void print_info (gchar *str, gchar *stag, GtkTextBuffer *buffer)
 print information in GtkTextBuffer
 
gchar * textcolor (int i)
 setup text color keyword
 
void lattice_info_ (int *bid, double *volume, double *density, double dvects[3][3], double rvects[3][3], double mod[3], double ang[3], double f_to_c[3][3], double c_to_f[3][3])
 lattice data from Fortran90
 
void send_chem_info_ (int prop[active_project -> nspec])
 
gchar * env_name (project *this_proj, int g, int s, int f, GtkTextBuffer *buffer)
 ouput the name of a coordination sphere
 
void update_after_calc (int calc)
 To update all curve plots in the workspace after a calculation.
 

Variables

GtkWidget * answer
 
gboolean res_yes_no
 
gchar * field_init [3]
 
gchar * coord_type [3]
 
gchar * npt_type [4]
 
gchar * npt_info [3]
 
GtkWidget * answer_info
 
int res_int
 
gchar * res_char
 

Detailed Description

General messaging functions.

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 interface.c.

Function Documentation

◆ addweb()

GtkWidget * addweb ( int id)

create a widget to present

Parameters
idAdd contact info (1) or not (0)

Definition at line 135 of file interface.c.

◆ ask_yes_no()

gboolean ask_yes_no ( gchar * title,
gchar * text,
int type,
GtkWidget * widg )

ask yes or no for something: prepare dialog

Parameters
titleTitle
textMessage
typethe type of message window
widgthe parent GtkWidget, if any

Definition at line 356 of file interface.c.

◆ cask()

gchar * cask ( char * question,
char * lab,
int id,
char * old,
GtkWidget * win )

enter a string - prepare the dialog

Parameters
questionMessage
labText to use for label
idthe required parameter id
oldthe initial value for the string
winthe parent GtkWidget, if any

Definition at line 645 of file interface.c.

◆ create_about_dialog()

G_MODULE_EXPORT void create_about_dialog ( GtkWidget * widg,
gpointer data )

create the about dialog

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 175 of file interface.c.

◆ dummy_ask_()

int dummy_ask_ ( char * question)

Ask to use dummy atoms or not from Fortran90.

Parameters
questionMessage

Definition at line 439 of file interface.c.

◆ env_name()

gchar * env_name ( project * this_proj,
int g,
int s,
int f,
GtkTextBuffer * buffer )

ouput the name of a coordination sphere

Parameters
this_projthe target project
gthe coordination (0 = total, 1 = partial)
sthe chemical species
fWith markup or not
bufferOutput in a GtkTextBuffer, or not if NULL

Definition at line 889 of file interface.c.

◆ exact_name()

gchar * exact_name ( gchar * name)

short cut to print string without spaces

Parameters
namethe initial string

Definition at line 370 of file interface.c.

◆ iask()

int iask ( char * question,
char * lab,
int id,
GtkWidget * win )

enter an integer value - prepare the dialog

Parameters
questionMessage
labText to use for label
idthe required parameter id
winthe parent GtkWidget, if any

Definition at line 529 of file interface.c.

◆ init_data_()

void init_data_ ( int * nats,
int * nspc,
int * stps,
int * cid )

update project data using information from Fortran90

Parameters
natsnumber of atoms
nspcnumber of species
stpsnumber of steps
cidallocate chemistry data (1) or not (0)

Definition at line 682 of file interface.c.

◆ lattice_info_()

void lattice_info_ ( int * bid,
double * volume,
double * density,
double dvects[3][3],
double rvects[3][3],
double mod[3],
double ang[3],
double f_to_c[3][3],
double c_to_f[3][3] )

lattice data from Fortran90

Parameters
bid0 or MD step if NPT
volumevolume
densitydensity
dvectsdirect space lattice vectors
rvectsreciprocal lattice vectors
modmodulus of lattice vectors (a,b,c)
anglattice angles (alpha, beta, gamma)
f_to_cfractional to cartesian matrix
c_to_fcartesian to fractional matrix

Definition at line 816 of file interface.c.

◆ leaving_question()

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

Leaving atomes ?

Parameters
widgetthe GtkWidget sending the signal
eventthe GdkEvent triggering the signal
datathe associated data pointer

Definition at line 418 of file interface.c.

◆ on_answer_changed()

G_MODULE_EXPORT void on_answer_changed ( GtkWidget * widg,
gpointer data )

Handling the GtkComboBox in 'int iask'.

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 467 of file interface.c.

◆ print_info()

void print_info ( gchar * str,
gchar * stag,
GtkTextBuffer * buffer )

print information in GtkTextBuffer

Parameters
strthe text
stagthe tags
bufferthe GtkTextBuffer to print to

Definition at line 738 of file interface.c.

◆ run_cask()

G_MODULE_EXPORT void run_cask ( GtkDialog * cask,
gint response_id,
gpointer data )

enter a string - running the dialog

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

Definition at line 604 of file interface.c.

◆ run_iask()

G_MODULE_EXPORT void run_iask ( GtkDialog * iask,
gint response_id,
gpointer data )

enter an integer value - running the dialog

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

Definition at line 486 of file interface.c.

◆ run_yes_no()

G_MODULE_EXPORT void run_yes_no ( GtkDialog * dial,
gint response_id,
gpointer data )

ask yes or no for something: running dialog

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

Definition at line 340 of file interface.c.

◆ send_chem_info_()

void send_chem_info_ ( int prop[active_project -> nspec])

Definition at line 869 of file interface.c.

◆ show_error()

void show_error ( char * error,
int val,
GtkWidget * win )

show error message

Parameters
errorMessage
valAdd contact info (1) or not (0)
winParent GtkWidget, if any

Definition at line 293 of file interface.c.

◆ show_error_()

void show_error_ ( char * error,
char * sub,
char * tab )

show error from Fortran90

Parameters
errorMessage
subFortan90 subroutine
tabFortran90 pointer

Definition at line 320 of file interface.c.

◆ show_info()

void show_info ( char * information,
int val,
GtkWidget * win )

add / show information message to widget

Parameters
informationMessage
valAdd contact info (1) or not (0)
winthe GtkWidget to modify

Definition at line 234 of file interface.c.

◆ show_pop()

GtkWidget * show_pop ( char * pop,
GtkWidget * pwin )

display pop information window

Parameters
popMessage
pwinParent widget, if any

Definition at line 383 of file interface.c.

◆ show_warning()

void show_warning ( char * warning,
GtkWidget * win )

show warning

Parameters
warningMessage
winParent GtkWidget, if any

Definition at line 260 of file interface.c.

◆ show_warning_()

void show_warning_ ( char * warning,
char * sub,
char * tab )

show warning from Fortran90

Parameters
warningMessage
subFortan90 subroutine
tabFortran90 pointer

Definition at line 275 of file interface.c.

◆ show_web()

void show_web ( GtkWidget * dialog,
int id )

add / show web information to widget

Parameters
dialogthe GtkWidget to modify
idAdd contact info (1) or not (0)

Definition at line 216 of file interface.c.

◆ spec_data_()

void spec_data_ ( int * status,
int * ind,
int * atd,
int * nsp,
char * lbel,
char * el_nme,
double * amss,
double * rdus,
double * nscatt,
double * xscatt )

update project data using information from Fortran90

Parameters
statusUpdate data (1) or not (0)
indthe chemical species
atdZ
nspNumber of atoms of this species
lbelSymbol
el_nmeElement
amssM
rdusRadius
nscattNeutron scattering length
xscattX scattering length

Definition at line 710 of file interface.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.

◆ textcolor()

gchar * textcolor ( int i)

setup text color keyword

Parameters
icolor id

Definition at line 763 of file interface.c.

◆ update_after_calc()

void update_after_calc ( int calc)

To update all curve plots in the workspace after a calculation.

Parameters
calcAnalysis id

Definition at line 977 of file interface.c.

Variable Documentation

◆ answer

GtkWidget* answer

Definition at line 80 of file interface.c.

◆ answer_info

GtkWidget* answer_info

Definition at line 457 of file interface.c.

◆ coord_type

gchar* coord_type[3]
Initial value:
={"Cartesian",
"Atomic units",
"Fractional"}

Definition at line 447 of file interface.c.

◆ field_init

gchar* field_init[3]
extern

Definition at line 4351 of file dlp_field.c.

◆ npt_info

gchar* npt_info[3]
Initial value:
={"1 line by step, as many lines as MD steps",
"2 lines by step, twice as many lines as MD steps",
"3 lines by step, three times as many lines as MD steps"}

Definition at line 454 of file interface.c.

◆ npt_type

gchar* npt_type[4]
Initial value:
={"A\tB\tC\tα\tβ\tɣ",
"A\tB\tC\nα\tβ\tɣ",
"a<sub>x</sub>\ta<sub>y</sub>\ta<sub>z</sub>\tb<sub>x</sub>\tb<sub>y</sub>\tb<sub>z</sub>\tc<sub>x</sub>\tc<sub>y</sub>\tc<sub>z</sub>",
"a<sub>x</sub>\ta<sub>y</sub>\ta<sub>z</sub>\nb<sub>x</sub>\tb<sub>y</sub>\tb<sub>z</sub>\nc<sub>x</sub>\tc<sub>y</sub>\tc<sub>z</sub>"}

Definition at line 450 of file interface.c.

◆ res_char

gchar* res_char

Definition at line 593 of file interface.c.

◆ res_int

int res_int

Definition at line 475 of file interface.c.

◆ res_yes_no

gboolean res_yes_no

Definition at line 329 of file interface.c.