atomes 1.1.14
atomes: an atomic scale modeling tool box
|
Functions to remove bond(s) from a project
Function to prepare the passivation (removal followed by insertion)
More...
#include "atom_edit.h"
Go to the source code of this file.
Functions | |
atom_search * | allocate_atom_search (int proj, int action, int searchid, int tsize) |
allocate atom search data structure | |
void | set_mol_data_list (int aid, atom **mol_list, int the_mol) |
set molecule id for atom | |
int | test_this_fragment (int natomes, int fcoord, int fid, atom **atom_list, int *old_id, gboolean remove) |
gboolean * | remove_bonds_from_project (project *this_proj, atomic_object *this_object, int *old_id, atom *new_list, gboolean remove, gboolean passivate) |
remove bond(s) from project | |
void | to_remove_this_list_of_objects (project *this_proj, atom_search *asearch) |
prepaer to remove a list of object(s) from a project, one object after another. | |
void | to_passivate_using_the_objects (project *this_proj, atom_search *asearch) |
prepare passivation (delete of an object, then insert of another one at the same location) | |
Variables | |
int | tmbs |
int | molcounter |
int | atoms_in_frag |
int * | tigl |
int * | migl |
int * | togl |
int * | ats_in_frag |
int * | ats_id |
int * | contacts |
int ** | neighbors |
Functions to remove bond(s) from a project
Function to prepare the passivation (removal followed by insertion)
Definition in file atom_remove.c.
|
extern |
allocate atom search data structure
proj | the target project id |
action | the edition action |
searchid | the atom search id |
tsize | the atom search object list size |
Definition at line 392 of file atom_edit.c.
gboolean * remove_bonds_from_project | ( | project * | this_proj, |
atomic_object * | this_object, | ||
int * | old_id, | ||
atom * | new_list, | ||
gboolean | remove, | ||
gboolean | passivate ) |
remove bond(s) from project
this_proj | the target project |
this_object | the target insert object, if any |
old_id | the atom(s) id list |
new_list | the new atom list |
remove | remove (1) or motion (0) action |
passivate | passivate (1) or not (0) |
Definition at line 224 of file atom_remove.c.
void set_mol_data_list | ( | int | the_atom, |
atom ** | mol_list, | ||
int | the_mol ) |
set molecule id for atom
the_atom | the atom id |
mol_list | the list of atom(s) to look up |
the_mol | the molecule id |
Definition at line 70 of file atom_remove.c.
int test_this_fragment | ( | int | natomes, |
int | fcoord, | ||
int | fid, | ||
atom ** | atom_list, | ||
int * | old_id, | ||
gboolean | remove ) |
Definition at line 106 of file atom_remove.c.
void to_passivate_using_the_objects | ( | project * | this_proj, |
atom_search * | asearch ) |
prepare passivation (delete of an object, then insert of another one at the same location)
this_proj | the target project |
asearch | the target atom search |
Definition at line 650 of file atom_remove.c.
void to_remove_this_list_of_objects | ( | project * | this_proj, |
atom_search * | asearch ) |
prepaer to remove a list of object(s) from a project, one object after another.
this_proj | the target project |
asearch | the target atom search |
Definition at line 580 of file atom_remove.c.
int atoms_in_frag |
Definition at line 49 of file atom_remove.c.
int* ats_id |
Definition at line 54 of file atom_remove.c.
int* ats_in_frag |
Definition at line 53 of file atom_remove.c.
int* contacts |
Definition at line 55 of file atom_remove.c.
int* migl |
Definition at line 51 of file atom_remove.c.
int molcounter |
Definition at line 48 of file atom_remove.c.
int** neighbors |
Definition at line 56 of file atom_remove.c.
int* tigl |
Definition at line 50 of file atom_remove.c.
int tmbs |
Definition at line 47 of file atom_remove.c.
int* togl |
Definition at line 52 of file atom_remove.c.