atom_move.c File Reference

Functions to move atom(s) and group of atom(s)
Functions to move randomly atom(s) and group of atom(s)
Functions to create the motion widgets of the model edition window. More...

#include "atom_edit.h"

Include dependency graph for atom_move.c:

Go to the source code of this file.

Functions
double **	save_coordinates (project *this_proj, int status)
	save atomic coordinates
void	reset_coordinates (project *this_proj, int status)
	reset transformation and restore saved atomic coordinates
vec3_t	get_bary (project *this_proj, int status)
	get barycenter of atomic coordinates
void	init_coordinates (project *this_proj, int status, gboolean win, gboolean init)
	preserve atomic coordinates
void	translate (project *this_proj, int status, int axis, vec3_t trans)
	translate
void	rotate_quat (project *this_proj, vec4_t q, int status, int axis)
	rotate using quaternion
void	rotate (project *this_proj, int status, int axis, int raxis, float param)
	rotate
void	random_move_this_atom (project *this_proj, int aid)
	random move atom
void	random_rotate_this_object (project *this_proj, atomic_object *object, double ratio, double msd)
	random rotate an object
void	random_translate_this_object (project *this_proj, atomic_object *object, double ratio, double msd)
	random translate an object
void	random_move_this_object (project *this_proj, atomic_object *object, int move, double msd)
	random move object
void	trigger_refresh (project *this_proj, atom_search *asearch)
	refresh search tree model
gboolean	rebuild_selection (project *this_proj, atom_search *asearch, int filter)
	rebuild selection (split fragments linked thru PBC)
gboolean	random_move_objects (project *this_proj, atom_search *asearch, int numo, int filter, int obj)
	random move object(s)
void	random_move (project *this_proj, atom_search *asearch)
	random move
void	translate_this_atom (project *this_proj, int aid, int axis, vec3_t trans)
	translate atom
void	translate_this_object (project *this_proj, atomic_object *object, int axis, vec3_t trans)
	translate object
void	rotate_this_object (project *this_proj, atomic_object *object, int axis, int rax, float ang)
	rotate object
gboolean	move_objects (project *this_proj, atom_search *asearch, int action, int axis, vec3_t trans, float ang)
	move objects, return reconstruction status
atom_search *	duplicate_atom_search (atom_search *asearch)
	duplicate atom search data structure
void	move_selection (project *this_proj, int action, int axis, vec3_t trans, float ang)
	move atom selection
void	update_coordinates (project *this_proj, int status, int axis, int action)
	update atomic coordinates on motion
G_MODULE_EXPORT void	repeat_move (GtkSpinButton *res, gpointer data)
	repeat motion callback
void	update_range_and_entry (project *this_proj, int i, int j, int k)
	update motion range
float	get_limit (int mot, glwin *view)
	get motion limit
void	range_has_changed (gpointer data, double v)
	motion
G_MODULE_EXPORT void	set_move (GtkEntry *res, gpointer data)
	motion callback - entry
G_MODULE_EXPORT void	range_move (GtkRange *range, gpointer data)
	motion callback - range
G_MODULE_EXPORT gboolean	scroll_range_move (GtkRange *range, GtkScrollType scroll, gdouble value, gpointer data)
	motion callback - scroll
G_MODULE_EXPORT void	set_axis_for_motion (GtkComboBox *box, gpointer data)
	set motion axis (eye or model)
G_MODULE_EXPORT void	set_show_motion_axis (GtkToggleButton *but, gpointer data)
	set show / hide motion axis toggle callback GTK3
void	check_motion_interactors (project *this_proj, atom_search *asearch)
	add motion check button
GtkWidget *	create_axis_entries (atom_search *asearch, project *this_proj, int mot, int axd)
	create axis entries
GtkWidget *	add_motion_interaction (atom_search *asearch, int axd, project *this_proj)
	add motion interaction widgets

Variables
gboolean *	was_moved_atom

Detailed Description

Functions to move atom(s) and group of atom(s)
Functions to move randomly atom(s) and group of atom(s)
Functions to create the motion widgets of the model edition window.

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 atom_move.c.

Function Documentation

add_motion_interaction()

GtkWidget * add_motion_interaction	(	atom_search *	asearch,
		int	axd,
		project *	this_proj )

add motion interaction widgets

Parameters

asearch	the target atom search
axd	translation (0) or rotation (1)
this_proj	the target project

Definition at line 1230 of file atom_move.c.

check_motion_interactors()

void check_motion_interactors	(	project *	this_proj,
		atom_search *	asearch )

add motion check button

Parameters

this_proj	the target project
asearch	the target atom search

Definition at line 1160 of file atom_move.c.

create_axis_entries()

GtkWidget * create_axis_entries	(	atom_search *	asearch,
		project *	this_proj,
		int	mot,
		int	axd )

create axis entries

Parameters

asearch	the target atom search
this_proj	the target project
mot	translation (0) or rotation (1)
axd	axis (0 = x, 1 = y, 2 = z)

Definition at line 1190 of file atom_move.c.

duplicate_atom_search()

atom_search * duplicate_atom_search ( atom_search * asearch )

extern

duplicate atom search data structure

Parameters

asearch

Definition at line 1970 of file atom_action.c.

get_bary()

vec3_t get_bary	(	project *	this_proj,
		int	status )

get barycenter of atomic coordinates

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)

Definition at line 170 of file atom_move.c.

get_limit()

float get_limit	(	int	mot,
		glwin *	view )

get motion limit

Parameters

mot	translation (0) or rotation (1)
view	the target glwin

Definition at line 995 of file atom_move.c.

init_coordinates()

void init_coordinates	(	project *	this_proj,
		int	status,
		gboolean	win,
		gboolean	init )

preserve atomic coordinates

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)
win	is the model edition window opened ?
init	preserve atomic coordinates

Definition at line 197 of file atom_move.c.

move_objects()

gboolean move_objects	(	project *	this_proj,
		atom_search *	asearch,
		int	action,
		int	axis,
		vec3_t	trans,
		float	ang )

move objects, return reconstruction status

Parameters

this_proj	the target project
asearch	the target atom search
action	0 = translation, 1 = rotation
axis	0 = model, 1 = eye
trans	the translation vector, if any
ang	the rotation angle, if any

Definition at line 837 of file atom_move.c.

move_selection()

void move_selection	(	project *	this_proj,
		int	action,
		int	axis,
		vec3_t	trans,
		float	ang )

move atom selection

Parameters

this_proj	the target project
action	0 = translation, 1 = rotation
axis	0 = model, 1 = eye
trans	the translation vector, if any
ang	the rotation angle, if any

Definition at line 881 of file atom_move.c.

random_move()

void random_move	(	project *	this_proj,
		atom_search *	asearch )

random move

Parameters

this_proj	the target project
asearch	the target atom search

Definition at line 657 of file atom_move.c.

random_move_objects()

gboolean random_move_objects	(	project *	this_proj,
		atom_search *	asearch,
		int	numo,
		int	filter,
		int	obj )

random move object(s)

Parameters

this_proj	the target project
asearch	the target atom search
numo	the number of object(s) to move
filter	the filter (0 = species, 1 = partial coord, 2 = total coord, 3 = fragment, 4 = molecule)
obj	the object (0 = atom(s), 1 = group of atoms)

Definition at line 614 of file atom_move.c.

random_move_this_atom()

void random_move_this_atom	(	project *	this_proj,
		int	aid )

random move atom

Parameters

this_proj	the target project
aid	the atom id

Definition at line 328 of file atom_move.c.

random_move_this_object()

void random_move_this_object	(	project *	this_proj,
		atomic_object *	object,
		int	move,
		double	msd )

random move object

Parameters

this_proj	the target project
object	the object to move
move	the number of times to repeat the motion
msd	the MSD

Definition at line 472 of file atom_move.c.

random_rotate_this_object()

void random_rotate_this_object	(	project *	this_proj,
		atomic_object *	object,
		double	ratio,
		double	msd )

random rotate an object

Parameters

this_proj	the target project
object	the object to rotate
ratio	ratio translation / rotation
msd	the MSD

Definition at line 367 of file atom_move.c.

random_translate_this_object()

void random_translate_this_object	(	project *	this_proj,
		atomic_object *	object,
		double	ratio,
		double	msd )

random translate an object

Parameters

this_proj	the target project
object	the object to translate
ratio	ratio translation / rotation
msd	the MSD

Definition at line 420 of file atom_move.c.

range_has_changed()

void range_has_changed	(	gpointer	data,
		double	v )

motion

Parameters

data	the associated data pointer
v	the value for motion

Definition at line 1016 of file atom_move.c.

range_move()

G_MODULE_EXPORT void range_move	(	GtkRange *	range,
		gpointer	data )

motion callback - range

Parameters

range	the GtkRange sending the signal
data	the associated data pointer

Definition at line 1061 of file atom_move.c.

rebuild_selection()

gboolean rebuild_selection	(	project *	this_proj,
		atom_search *	asearch,
		int	filter )

rebuild selection (split fragments linked thru PBC)

Parameters

this_proj	the target project
asearch	the target atom search
filter	the filter (0 = species, 1 = partial coord, 2 = total coord, 3 = fragment, 4 = molecule)

Definition at line 521 of file atom_move.c.

repeat_move()

G_MODULE_EXPORT void repeat_move	(	GtkSpinButton *	res,
		gpointer	data )

repeat motion callback

Parameters

res	the GtkSpinButton sending the signal
data	the associated data pointer

Definition at line 963 of file atom_move.c.

reset_coordinates()

void reset_coordinates	(	project *	this_proj,
		int	status )

reset transformation and restore saved atomic coordinates

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)

Definition at line 143 of file atom_move.c.

rotate()

void rotate	(	project *	this_proj,
		int	status,
		int	axis,
		int	raxis,
		float	param )

rotate

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)
axis	0 = model, 1 = eye
raxis	rotation axis 0 = x, 1 = y, 2 = z
param	rotation angle

Definition at line 309 of file atom_move.c.

rotate_quat()

void rotate_quat	(	project *	this_proj,
		vec4_t	q,
		int	status,
		int	axis )

rotate using quaternion

Parameters

this_proj	the target project
q	rotation quaternion
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)
axis	0 = model, 1 = eye

Definition at line 269 of file atom_move.c.

rotate_this_object()

void rotate_this_object	(	project *	this_proj,
		atomic_object *	object,
		int	axis,
		int	rax,
		float	ang )

rotate object

Parameters

this_proj	the target project
object	the object to rotate
axis	0 = model, 1 = eye
rax	the rotation axis
ang	the rotation angle

Definition at line 784 of file atom_move.c.

save_coordinates()

double ** save_coordinates	(	project *	this_proj,
		int	status )

save atomic coordinates

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)

Definition at line 91 of file atom_move.c.

scroll_range_move()

G_MODULE_EXPORT gboolean scroll_range_move	(	GtkRange *	range,
		GtkScrollType	scroll,
		gdouble	value,
		gpointer	data )

motion callback - scroll

Parameters

range	the GtkRange sending the signal
scroll	the associated scroll type
value	the range value
data	the associated data pointer

Definition at line 1076 of file atom_move.c.

set_axis_for_motion()

G_MODULE_EXPORT void set_axis_for_motion	(	GtkComboBox *	box,
		gpointer	data )

set motion axis (eye or model)

Parameters

box	the GtkComboBox sending the signal
data	the associated data pointer

Definition at line 1090 of file atom_move.c.

set_move()

G_MODULE_EXPORT void set_move	(	GtkEntry *	res,
		gpointer	data )

motion callback - entry

Parameters

res	the GtkEntry sending the signal
data	the associated data pointer

Definition at line 1046 of file atom_move.c.

set_show_motion_axis()

G_MODULE_EXPORT void set_show_motion_axis	(	GtkToggleButton *	but,
		gpointer	data )

set show / hide motion axis toggle callback GTK3

Parameters

but	the GtkToggleButton sending the signal
data	the associated data pointer

Definition at line 1124 of file atom_move.c.

translate()

void translate	(	project *	this_proj,
		int	status,
		int	axis,
		vec3_t	trans )

translate

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)
axis	0 = model, 1 = eye
trans	translation vector

Definition at line 230 of file atom_move.c.

translate_this_atom()

void translate_this_atom	(	project *	this_proj,
		int	aid,
		int	axis,
		vec3_t	trans )

translate atom

Parameters

this_proj	the target project
aid	atom id
axis	0 = model, 1 = eye
trans	translation vector

Definition at line 713 of file atom_move.c.

translate_this_object()

void translate_this_object	(	project *	this_proj,
		atomic_object *	object,
		int	axis,
		vec3_t	trans )

translate object

Parameters

this_proj	the target project
object	the object to translate
axis	0 = model, 1 = eye
trans	the translation vector

Definition at line 742 of file atom_move.c.

trigger_refresh()

void trigger_refresh	(	project *	this_proj,
		atom_search *	asearch )

refresh search tree model

Parameters

this_proj	the target project
asearch	the target atom search

Definition at line 504 of file atom_move.c.

update_coordinates()

void update_coordinates	(	project *	this_proj,
		int	status,
		int	axis,
		int	action )

update atomic coordinates on motion

Parameters

this_proj	the target project
status	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)
axis	axis, 0 = model, 1 = eye
action	0 = translation, 1 = rotation

Definition at line 939 of file atom_move.c.

update_range_and_entry()

void update_range_and_entry	(	project *	this_proj,
		int	i,
		int	j,
		int	k )

update motion range

Parameters

this_proj	the target project
i	selection status, 0 = non selected atom(s), 1 = selected atom(s), 2 = all atom(s)
j	axis, 0 = model, 1 = eye
k	parameter to update: x, y, z or alpha, beta, gamma

Definition at line 979 of file atom_move.c.

Variable Documentation

was_moved_atom

gboolean* was_moved_atom

Definition at line 81 of file atom_move.c.