#include <global.h>

Collaboration diagram for atomes_analysis:

Data Fields
int	aid
gchar *	name
gboolean	avail_ok
gboolean	init_ok
gboolean	calc_ok
gboolean	requires_md
gchar *	x_title
double	calc_time
int	num_delta
double	delta
double	min
double	max
double	fact
int	other_params
double *	o_params
GtkTextBuffer *	calc_buffer
gboolean	graph_res
int	numc
int	c_sets
int *	compat_id
Curve **	curves
tint *	idcc

Detailed Description

Definition at line 739 of file global.h.

Field Documentation

◆ aid

int aid

Analysis type:
0 = gr,
1 = sq,
2 = sk,
3 = gftt,
4 = bd,
5 = an,
6 = frag-mol,
7 = ch,
8 = sp,
9 = msd,
10 = s(k,t)

Definition at line 744 of file global.h.

◆ avail_ok

gboolean avail_ok

Analysis calculation availability

Definition at line 746 of file global.h.

◆ c_sets

int c_sets

Number of compatible sets

Definition at line 762 of file global.h.

◆ calc_buffer

GtkTextBuffer* calc_buffer

The text buffer for the calculation

Definition at line 759 of file global.h.

◆ calc_ok

gboolean calc_ok

Analysis calculation confirmation

Definition at line 748 of file global.h.

◆ calc_time

double calc_time

Calculation time

Definition at line 751 of file global.h.

◆ compat_id

int* compat_id

List of compatible sets

Definition at line 763 of file global.h.

◆ curves

Curve** curves

The curves, graph for the results of the calculations, if any

Definition at line 764 of file global.h.

◆ delta

double delta

Size of an interval

Definition at line 753 of file global.h.

◆ fact

double fact

Gaussian smoothing factor, if available

Definition at line 756 of file global.h.

◆ graph_res

gboolean graph_res

Results to be displayed using graphs ?

Definition at line 760 of file global.h.

◆ idcc

tint* idcc

Pointers for the curves

Definition at line 765 of file global.h.

◆ init_ok

gboolean init_ok

Curves initialization

Definition at line 747 of file global.h.

◆ max

double max

Maximum x value

Definition at line 755 of file global.h.

◆ min

double min

Minimum x value

Definition at line 754 of file global.h.

◆ name

gchar* name

Analysis name for menu item

Definition at line 745 of file global.h.

◆ num_delta

int num_delta

Number of intervals

Definition at line 752 of file global.h.

◆ numc

int numc

Number of curves, if any

Definition at line 761 of file global.h.

◆ o_params

double* o_params

List of other parameters

Definition at line 758 of file global.h.

◆ other_params

int other_params

Number of other parameters for this analysis

Definition at line 757 of file global.h.

◆ requires_md

gboolean requires_md

Analysis requires multiple configurations

Definition at line 749 of file global.h.

◆ x_title

gchar* x_title

x axis default title, ex: "r [Å]

Definition at line 750 of file global.h.

The documentation for this struct was generated from the following file:

global.h

Data Fields