atomes 1.1.15
atomes: an atomic scale modeling tool box
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open_p.c File Reference

Functions to start the reading of an atomes project file. More...

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

Go to the source code of this file.

Functions

void alloc_curves (int c)
 allocating curve data
 
void init_box_calc ()
 initialize calculation possibilities based the periodicity
 
void set_color_map_sensitive (glwin *view)
 
void initgr (int r)
 initialize the curve widgets for the g(r)/g(k)
 
void initsq (int r)
 initialize the curve widgets for the s(q) / s(k) calculation
 
void initbd ()
 initialize the curve widgets for the bond distribution
 
void initang ()
 initialize the curve widgets for the angle distribution
 
void initrng ()
 initialize the curve widgets for the ring statistics
 
void initchn ()
 initialize the curve widgets for the chains statistics calculation
 
void initmsd ()
 initialize the curve widgets for the MSD
 
void initsh (int s)
 initialize the curve widgets for the spherical harmonics
 
char * read_string (int i, FILE *fp)
 read a string from a file
 
gchar * read_this_string (FILE *fp)
 is there a string to read in this file ? yes do it
 
void initcnames (int w, int s)
 initialize curve namees
 
void allocatoms (project *this_proj)
 allocate project data
 
chemical_dataalloc_chem_data (int spec)
 allocate chemistry data
 
void alloc_proj_data (project *this_proj, int cid)
 allocate data
 
int open_project (FILE *fp, int npi)
 open atomes project file
 

Detailed Description

Functions to start the reading of an atomes project file.

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 open_p.c.

Function Documentation

◆ alloc_chem_data()

chemical_data * alloc_chem_data ( int spec)

allocate chemistry data

Parameters
specthe number of chemical species

Definition at line 186 of file open_p.c.

◆ alloc_curves()

void alloc_curves ( int rid)
extern

allocating curve data

Parameters
ridanalysis id

Definition at line 74 of file initc.c.

◆ alloc_proj_data()

void alloc_proj_data ( project * this_proj,
int cid )

allocate data

Parameters
this_projthe target project
cidAllocate chemistry data (1/0)

Definition at line 206 of file open_p.c.

◆ allocatoms()

void allocatoms ( project * this_proj)

allocate project data

Parameters
this_projthe target project

Definition at line 160 of file open_p.c.

◆ init_box_calc()

void init_box_calc ( )
extern

initialize calculation possibilities based the periodicity

Definition at line 551 of file edit_menu.c.

◆ initang()

void initang ( )
extern

initialize the curve widgets for the angle distribution

Definition at line 160 of file bdcall.c.

◆ initbd()

void initbd ( )
extern

initialize the curve widgets for the bond distribution

Definition at line 136 of file bdcall.c.

◆ initchn()

void initchn ( )
extern

initialize the curve widgets for the chains statistics calculation

Definition at line 67 of file chainscall.c.

◆ initcnames()

void initcnames ( int w,
int s )

initialize curve namees

Parameters
wcalculation id
sinitialize spherical harmonics or not

Definition at line 116 of file open_p.c.

◆ initgr()

void initgr ( int r)
extern

initialize the curve widgets for the g(r)/g(k)

Parameters
rGR = real space, GK = FFT

Definition at line 65 of file grcall.c.

◆ initmsd()

void initmsd ( )
extern

initialize the curve widgets for the MSD

Definition at line 56 of file msdcall.c.

◆ initrng()

void initrng ( )
extern

initialize the curve widgets for the ring statistics

Definition at line 81 of file ringscall.c.

◆ initsh()

void initsh ( int str)
extern

initialize the curve widgets for the spherical harmonics

Parameters
strinitialize or not (1/0)

Definition at line 57 of file spcall.c.

◆ initsq()

void initsq ( int r)
extern

initialize the curve widgets for the s(q) / s(k) calculation

Parameters
rs(q) (SQ) or s(k) (SK)

Definition at line 60 of file sqcall.c.

◆ open_project()

int open_project ( FILE * fp,
int npi )

open atomes project file

Parameters
fpthe file pointer
npithe total number of projects in the workspace

Definition at line 220 of file open_p.c.

◆ read_string()

char * read_string ( int i,
FILE * fp )

read a string from a file

Parameters
ithe size of the string to read
fpthe file pointer

Definition at line 75 of file open_p.c.

◆ read_this_string()

gchar * read_this_string ( FILE * fp)

is there a string to read in this file ? yes do it

Parameters
fpthe file pointer

Definition at line 95 of file open_p.c.

◆ set_color_map_sensitive()

void set_color_map_sensitive ( glwin * view)
extern