atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions handling the atom and bond selection process in the OpenGL window. More...
Go to the source code of this file.
Functions | |
G_MODULE_EXPORT void | window_measures (GtkWidget *widg, gpointer data) |
create the measurements window | |
void | dihedrals_loop (glwin *view, int id, int pi, GtkTreeStore *store) |
do things for the measured dihedrals selection | |
void | angles_loop (glwin *view, int id, int pi, GtkTreeStore *store) |
do things for the measured angles selection | |
void | bonds_loop (glwin *view, int id, int pi, GtkTreeStore *store) |
do things for the measured distances selection | |
void | update_label_selection (glwin *view, int pi) |
update the text information for the number of atoms/measures in selection | |
int | get_to_be_selected (glwin *view) |
find which atom(s) are to be selected | |
int | find_bond_in_bonds (project *this_proj, int i, int j, int b, int id) |
Find for a bond ID in the bond list using the atoms in the bond. | |
int | find_selected_bond (project *this_proj, int id) |
find the selected bond based of the picked color id | |
int | find_selected_atom (project *this_proj, int id) |
find the selected atom based of the picked color id | |
int | num_bonds (int i) |
number of distinct pair(s) of atoms in selection | |
int | num_angles (int i) |
number of distinct triplet(s) of atoms in selection | |
int | num_dihedrals (int i) |
number of distinct quadruplet(s) of atoms in selection | |
void | save_dihedral_selection (glwin *view, int pi) |
save the dihedral selection data | |
void | update_dihedral_selection (glwin *view, int pi) |
update the dihedral selection data | |
void | save_angle_selection (glwin *view, int pi) |
save the angle selection data | |
void | update_angle_selection (glwin *view, int pi) |
update the angle selection data | |
void | save_bond_selection (glwin *view, int pi) |
save the bond selection data | |
void | update_bond_selection (glwin *view, int pi) |
update the bond selection data | |
void | save_all_selections (glwin *view, int pi) |
save all selection data | |
void | update_all_selections (glwin *view, int pi) |
update the selection data: bonds, angles and dihedrals | |
atom_in_selection * | new_atom_in_selection (int id, int sp) |
create a selected atom | |
void | update_selection_list (atom_selection *at_list, atom *at, gboolean add) |
update the selection list adding or removing an atom | |
void | process_selected_atom (project *this_proj, glwin *view, int id, int ac, int se, int pi) |
process selected atom | |
void | process_selection (project *this_proj, glwin *view, int id, int ac, int pi) |
process selection | |
void | process_the_hits (glwin *view, gint event_button, double ptx, double pty) |
process a mouse click | |
Variables | |
int | selected_aspec |
int | objects [3] = {0, 0, 0} |
int * | object_was_selected [3] = {NULL, NULL, NULL} |
int ** | tmp_object_id [3] = {NULL, NULL, NULL} |
Functions handling the atom and bond selection process in the OpenGL window.
Definition in file selection.c.
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extern |
do things for the measured angles selection
view | the target glwin |
id | action to perform: -2 = save angles selection, -1 = clean angles selection, 0 = prepare OpenGL buffer data analysis mode selection measure, 1 = prepare OpenGL buffer data edition mode selection measure, 2 = fill angles tree store measures window |
pi | 0 = mouse analysis mode, 1 = mouse edition mode |
store | the tree store to fill, if any |
Definition at line 204 of file d_measures.c.
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extern |
do things for the measured distances selection
view | the target glwin |
id | action to perform: -2 = save bonds selection -1 = clean bonds selection 0 = prepare OpenGL buffer data analysis mode selection measure 1 = prepare OpenGL buffer data edition mode selection measure 2 = fill bonds distances tree store measures window |
pi | 0 = mouse analysis mode, 1 = mouse edition mode |
store | the tree store to fill, if any |
Definition at line 530 of file d_measures.c.
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extern |
do things for the measured dihedrals selection
view | the target glwin |
id | action to perform: -2 = save dihedrals selection -1 = clean dihedrals selection 0 = prepare OpenGL buffer data analysis mode selection measure 1 = prepare OpenGL buffer data edition mode selection measure 2 = fill dihedrals tree store measures window |
pi | 0 = mouse analysis mode, 1 = mouse edition mode |
store | the tree store to fill, if any |
Definition at line 319 of file d_measures.c.
int find_bond_in_bonds | ( | project * | this_proj, |
int | i, | ||
int | j, | ||
int | b, | ||
int | id ) |
Find for a bond ID in the bond list using the atoms in the bond.
this_proj | the target project |
i | id tracker |
j | the MD step |
b | 0 = normal, 1 = clones |
id | the id-th visible bond to find |
Definition at line 81 of file selection.c.
int find_selected_atom | ( | project * | this_proj, |
int | id ) |
find the selected atom based of the picked color id
this_proj | the target project |
id | the id-th visible atom or clone to find |
Definition at line 151 of file selection.c.
int find_selected_bond | ( | project * | this_proj, |
int | id ) |
find the selected bond based of the picked color id
this_proj | the target project |
id | the id-th visible bond to find |
Definition at line 114 of file selection.c.
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extern |
atom_in_selection * new_atom_in_selection | ( | int | id, |
int | sp ) |
create a selected atom
id | atom id |
sp | atom species |
Definition at line 428 of file selection.c.
int num_angles | ( | int | i | ) |
number of distinct triplet(s) of atoms in selection
i | the number of atom(s) in selection |
Definition at line 195 of file selection.c.
int num_bonds | ( | int | i | ) |
number of distinct pair(s) of atoms in selection
i | the number of atom(s) in selection |
Definition at line 183 of file selection.c.
int num_dihedrals | ( | int | i | ) |
number of distinct quadruplet(s) of atoms in selection
i | the number of atom(s) in selection |
Definition at line 207 of file selection.c.
process selected atom
this_proj | the target project |
view | the target glwin |
id | the atom id |
ac | atom or clone (0/1) |
se | set to 0 to ensure to remove a selected atom from the list and not to add label |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 514 of file selection.c.
process selection
this_proj | the target project |
view | the target glwin |
id | the atom id |
ac | atom or clone (0/1) |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 562 of file selection.c.
void process_the_hits | ( | glwin * | view, |
gint | event_button, | ||
double | ptx, | ||
double | pty ) |
process a mouse click
view | the target glwin |
event_button | the event button |
ptx | x position |
pty | y position |
Definition at line 590 of file selection.c.
void save_all_selections | ( | glwin * | view, |
int | pi ) |
save all selection data
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 372 of file selection.c.
void save_angle_selection | ( | glwin * | view, |
int | pi ) |
save the angle selection data
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 271 of file selection.c.
void save_bond_selection | ( | glwin * | view, |
int | pi ) |
save the bond selection data
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 318 of file selection.c.
void save_dihedral_selection | ( | glwin * | view, |
int | pi ) |
save the dihedral selection data
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 224 of file selection.c.
void update_all_selections | ( | glwin * | view, |
int | pi ) |
update the selection data: bonds, angles and dihedrals
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 387 of file selection.c.
void update_angle_selection | ( | glwin * | view, |
int | pi ) |
update the angle selection data
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 298 of file selection.c.
void update_bond_selection | ( | glwin * | view, |
int | pi ) |
update the bond selection data
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 345 of file selection.c.
void update_dihedral_selection | ( | glwin * | view, |
int | pi ) |
update the dihedral selection data
view | the target glwin |
pi | selection mode (0 = normal mode, 1 = edition mode) |
Definition at line 251 of file selection.c.
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extern |
update the text information for the number of atoms/measures in selection
view | the target glwin |
sid | the type of selection (0 = analysis mode, 1 = edition mode) |
Definition at line 647 of file w_measures.c.
void update_selection_list | ( | atom_selection * | at_list, |
atom * | at, | ||
gboolean | add ) |
update the selection list adding or removing an atom
at_list | target atom selection |
at | atom |
add | add or remove (1/0) |
Definition at line 445 of file selection.c.
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extern |
create the measurements window
widg | the GtkWidget sending the signal |
data | the associated data pointer |
Definition at line 738 of file w_measures.c.
int* object_was_selected[3] = {NULL, NULL, NULL} |
Definition at line 213 of file selection.c.
int objects[3] = {0, 0, 0} |
Definition at line 212 of file selection.c.
int** tmp_object_id[3] = {NULL, NULL, NULL} |
Definition at line 214 of file selection.c.