atomes 1.3.1
atomes: an atomic scale modeling tool box
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spcall.c File Reference

Callbacks for the spherical harmonics calculation dialog. More...

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

Go to the source code of this file.

Functions

void alloc_analysis_curves (int pid, atomes_analysis *this_analysis)
 allocating analysis curve data
gboolean run_distance_matrix (GtkWidget *widg, int calc, int up_ngb)
 compute distance matrix
int update_voisj_and_contj ()
 update FORTRAN CONTJ and VOISJ for the active project
void init_sph (project *this_proj, int opening)
 initialize the curve widgets for the spherical harmonics
void update_spherical_view (project *this_proj)
 update the text view for spherical harmonics
G_MODULE_EXPORT void on_calc_sph_released (GtkWidget *widg, gpointer data)
 compute spherical harmonics

Detailed Description

Callbacks for the spherical harmonics 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 spcall.c.

Function Documentation

◆ alloc_analysis_curves()

void alloc_analysis_curves ( int pid,
atomes_analysis * this_analysis )
extern

allocating analysis curve data

Parameters
pidthe project id
this_analysisthe target atomes_analysis pointer

Definition at line 134 of file initc.c.

◆ init_sph()

void init_sph ( project * this_proj,
int opening )

initialize the curve widgets for the spherical harmonics

Parameters
this_projthe target project
openingopening project file 1, otherwise 0

Definition at line 59 of file spcall.c.

◆ on_calc_sph_released()

G_MODULE_EXPORT void on_calc_sph_released ( GtkWidget * widg,
gpointer data )

compute spherical harmonics

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 192 of file spcall.c.

◆ run_distance_matrix()

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

compute distance matrix

Parameters
widgthe GtkWidget sending the signal, if any
calcthe calculation that requires the analysis
up_ngbupdate neighbors information (0 = no, 1 = yes)

Definition at line 372 of file bdcall.c.

◆ update_spherical_view()

void update_spherical_view ( project * this_proj)

update the text view for spherical harmonics

Parameters
this_projthe target project

Definition at line 107 of file spcall.c.

◆ update_voisj_and_contj()

int update_voisj_and_contj ( )
extern

update FORTRAN CONTJ and VOISJ for the active project

Definition at line 531 of file bdcall.c.