chainscall.c File Reference

Callbacks for the chains statistics calculation dialog. More...

#include <gtk/gtk.h>
#include <string.h>
#include <stdlib.h>
#include "global.h"
#include "bind.h"
#include "interface.h"
#include "callbacks.h"
#include "project.h"
#include "curve.h"
#include "initcoord.h"
#include "submenus.h"

Include dependency graph for chainscall.c:

Go to the source code of this file.

Functions
gboolean	run_distance_matrix (GtkWidget *widg, int calc, int up_ngb)
	compute distance matrix
void	clean_coord_window (project *this_proj)
	update the environment configuration window after edtion
void	initchn ()
	initialize the curve widgets for the chains statistics calculation
void	update_chains_view (project *this_proj)
	update the chains statistics text view after the calculation
void	clean_chains_data (glwin *view)
	cleaning the OpenGL data related to chain statistics
G_MODULE_EXPORT void	on_calc_chains_released (GtkWidget *widg, gpointer data)
	compute chains statistics
void	save_chains_data_ (int *taille, double ectrc[*taille], double *rpstep, double *ectrpst)
	get chains statistics results form Fortran90

Detailed Description

Callbacks for the chains statistics calculation dialog.

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 chainscall.c.

Function Documentation

clean_chains_data()

void clean_chains_data

(

glwin *

view

)

cleaning the OpenGL data related to chain statistics

Parameters

view	the gliwn to clean the data from

Definition at line 258 of file chainscall.c.

clean_coord_window()

void clean_coord_window ( project * this_proj )

extern

update the environment configuration window after edtion

Parameters

this_proj

the target project

Definition at line 87 of file atom_edit.c.

initchn()

void initchn

(

)

initialize the curve widgets for the chains statistics calculation

Definition at line 67 of file chainscall.c.

on_calc_chains_released()

G_MODULE_EXPORT void on_calc_chains_released	(	GtkWidget *	widg,
		gpointer	data )

compute chains statistics

Parameters

widg	the GtkWidget sending the signal
data	the associated data pointer

Definition at line 299 of file chainscall.c.

run_distance_matrix()

gboolean run_distance_matrix ( GtkWidget * widg, int calc, int up_ngb )

extern

compute distance matrix

Parameters

widg	the GtkWidget sending the signal, if any
calc	the calculation that requires the analysis
up_ngb	update neighbors information (0 = no, 1 = yes)

Definition at line 353 of file bdcall.c.

save_chains_data_()

void save_chains_data_	(	int *	taille,
		double	ectrc[ *taille],
		double *	rpstep,
		double *	ectrpst )

get chains statistics results form Fortran90

Parameters

taille	number of data points
ectrc	standard deviation per MD step
rpstep	chains per MD step
ectrpst	standard deviation

Definition at line 385 of file chainscall.c.

update_chains_view()

void update_chains_view

(

project *

this_proj

)

update the chains statistics text view after the calculation

Parameters

this_proj

the target project

Definition at line 108 of file chainscall.c.