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]

gchar *	cif_configurations [3]

gchar *	cif_occupancies [3]

gchar *	cif_config_legends

gchar *	cif_config_leg

gchar *	cif_occ [3]

gchar *	cif_sites [2]

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

id	Add 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

title	Title
text	Message
type	the type of message window
widg	the 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

question	Message
lab	Text to use for label
id	the required parameter id
old	the initial value for the string
win	the parent GtkWidget, if any

Definition at line 706 of file interface.c.

◆ create_about_dialog()

G_MODULE_EXPORT void create_about_dialog	(	GtkWidget *	widg,
		gpointer	data )

create the about dialog

Parameters

widg	the GtkWidget sending the signal
data	the 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

question Message

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_proj	the target project
g	the coordination (0 = total, 1 = partial)
s	the chemical species
f	With markup or not
buffer	Output in a GtkTextBuffer, or not if NULL

Definition at line 950 of file interface.c.

◆ exact_name()

gchar * exact_name ( gchar * name )

short cut to print string without spaces

Parameters

name	the 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

question	Message
lab	Text to use for label
id	the required parameter id
win	the parent GtkWidget, if any

Definition at line 556 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

nats	number of atoms
nspc	number of species
stps	number of steps
cid	allocate chemistry data (1) or not (0)

Definition at line 743 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

bid	0 or MD step if NPT
volume	volume
density	density
dvects	direct space lattice vectors
rvects	reciprocal lattice vectors
mod	modulus of lattice vectors (a,b,c)
ang	lattice angles (alpha, beta, gamma)
f_to_c	fractional to cartesian matrix
c_to_f	cartesian to fractional matrix

Definition at line 877 of file interface.c.

◆ leaving_question()

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

Leaving atomes ?

Parameters

widget	the GtkWidget sending the signal
event	the GdkEvent triggering the signal
data	the 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

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 494 of file interface.c.

◆ print_info()

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

print information in GtkTextBuffer

Parameters

str	the text
stag	the tags
buffer	the GtkTextBuffer to print to

Definition at line 799 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

cask	the GtkDialog sending the signal
response_id	the response id
data	the associated data pointer

Definition at line 665 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

iask	the GtkDialog sending the signal
response_id	the response id
data	the associated data pointer

Definition at line 513 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

dial	the GtkDialog sending the signal
response_id	the response id
data	the 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 930 of file interface.c.

◆ show_error()

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

show error message

Parameters

error	Message
val	Add contact info (1) or not (0)
win	Parent 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

error	Message
sub	Fortan90 subroutine
tab	Fortran90 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

information	Message
val	Add contact info (1) or not (0)
win	the 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

pop	Message
pwin	Parent widget, if any

Definition at line 383 of file interface.c.

◆ show_warning()

void show_warning	(	char *	warning,
		GtkWidget *	win )

show warning

Parameters

warning	Message
win	Parent 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

warning	Message
sub	Fortan90 subroutine
tab	Fortran90 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

dialog	the GtkWidget to modify
id	Add 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

status	Update data (1) or not (0)
ind	the chemical species
atd	Z
nsp	Number of atoms of this species
lbel	Symbol
el_nme	Element
amss	M
rdus	Radius
nscatt	Neutron scattering length
xscatt	X scattering length

Definition at line 771 of file interface.c.

◆ substitute_string()

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

extern

substitute all patterns in string

Parameters

init	the initial string
o_motif	the pattern to replace
n_motif	the new pattern

Definition at line 372 of file w_library.c.

◆ textcolor()

gchar * textcolor ( int i )

setup text color keyword

Parameters

i color id

Definition at line 824 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

calc	Analysis id

Definition at line 1038 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 484 of file interface.c.

◆ cif_config_leg

gchar* cif_config_leg

Initial value:

={"\t<b>MD trajectory</b>\n"
                        "\t\tConsider the CIF file a MD trajectory\n\n"
                        "\t\tNumber of atom(s) must not change between configuration(s)\n\n"
                        "\t<b>Single configuration </b>\n"
                        "\t\tSelect a single configuration in the CIF file"}

Definition at line 473 of file interface.c.

◆ cif_config_legends

gchar* cif_config_legends

Initial value:

={"\t<b>Single step chemical reaction</b>\n"
                            "\t\tConsider each configuration as a step in a chemical reaction:\n"
                            "\t\t\t- Atomic coordinates are sorted based on occupancy or disorder site\n"
                            "\t\t\t- Each describeing the proportion of a reactant\n"
                            "\t\t\t- A super lattice is build to respect these proportions\n\n"
                            "\t<b>MD trajectory</b>\n"
                            "\t\tConsider the CIF file a MD trajectory\n\n"
                            "\t\tNumber of atom(s) must not change between configuration(s)\n\n"
                            "\t<b>Single configuration </b>\n"
                            "\t\tSelect a single configuration in the CIF file"}

Definition at line 463 of file interface.c.

◆ cif_configurations

gchar* cif_configurations[3]

Initial value:

={"Single step chemical reaction",
                               "MD trajectory",
                               "Single configuration"}

Definition at line 457 of file interface.c.

◆ cif_occ

gchar* cif_occ[3]

Initial value:

={"to lowest integer: <b>⌊</b>n<sub>sites</sub> x occupancy<b>⌋</b>",
                    "to highest integer: <b>⌈</b>n<sub>sites</sub> x occupancy<b>⌉</b>",
                    "to nearest integer: <b>⌊</b>n<sub>sites</sub> x occupancy<b>⌉</b>"}

Definition at line 478 of file interface.c.

◆ cif_occupancies

gchar* cif_occupancies[3]

Initial value:

={"Round up to lowest integer",
                            "Round up to highest integer",
                            "Round up to nearest integer"}

Definition at line 460 of file interface.c.

◆ cif_sites

gchar* cif_sites[2]

Initial value:

={"with n<sub>sites</sub> = f(space group, crystalline positions)",

"with n<sub>sites</sub> = f(symmetry positions, crystalline positions)"}

Definition at line 481 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 4332 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\t&#x3B1;\t&#x3B2;\t&#x263;",
                     "A\tB\tC\n&#x3B1;\t&#x3B2;\t&#x263;",
                     "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 654 of file interface.c.

◆ res_int

int res_int

Definition at line 502 of file interface.c.

◆ res_yes_no

gboolean res_yes_no

Definition at line 329 of file interface.c.

Functions

Variables

Detailed Description

Function Documentation

◆ addweb()

◆ ask_yes_no()

◆ cask()

◆ create_about_dialog()

◆ dummy_ask_()

◆ env_name()

◆ exact_name()

◆ iask()

◆ init_data_()

◆ lattice_info_()

◆ leaving_question()

◆ on_answer_changed()

◆ print_info()

◆ run_cask()

◆ run_iask()

◆ run_yes_no()

◆ send_chem_info_()

◆ show_error()

◆ show_error_()

◆ show_info()

◆ show_pop()

◆ show_warning()

◆ show_warning_()

◆ show_web()

◆ spec_data_()

◆ substitute_string()

◆ textcolor()

◆ update_after_calc()

Variable Documentation

◆ answer

◆ answer_info

◆ cif_config_leg

◆ cif_config_legends

◆ cif_configurations

◆ cif_occ

◆ cif_occupancies

◆ cif_sites

◆ coord_type

◆ field_init

◆ npt_info

◆ npt_type

◆ res_char

◆ res_int

◆ res_yes_no