atom_move.c

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/* This file is part of the 'atomes' software
 
'atomes' is free software: you can redistribute it and/or modify it under the terms
of the GNU Affero General Public License as published by the Free Software Foundation,
either version 3 of the License, or (at your option) any later version.
 
'atomes' is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY;
without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
See the GNU General Public License for more details.
 
You should have received a copy of the GNU Affero General Public License along with 'atomes'.
If not, see <https://www.gnu.org/licenses/>
 
Copyright (C) 2022-2024 by CNRS and University of Strasbourg */
 
/*
* This file: 'atom_move.c'
*
* Contains:
*
 
 - The functions to move atom(s) and group of atom(s)
 - The functions to move randomly atom(s) and group of atom(s)
 - The functions to create the motion widgets of the model edition window
 
*
* List of functions:
 
  float get_limit (int mot, glwin * view);
 
  double ** save_coordinates (project * this_proj, int status);
 
  gboolean rebuild_selection (project * this_proj, atom_search * asearch, int filter);
  gboolean random_move_objects (project * this_proj, atom_search * asearch, int numo, int filter, int obj);
  gboolean move_objects (project * this_proj, atom_search * asearch, int action, int axis, vec3_t trans, float ang);
 
  G_MODULE_EXPORT gboolean scroll_range_move (GtkRange * range, GtkScrollType scroll, gdouble value, gpointer data);
 
  void reset_coordinates (project * this_proj, int status);
  void init_coordinates (project * this_proj, int status, gboolean win, gboolean init);
  void translate (project * this_proj, int status, int axis, vec3_t trans);
  void rotate_quat (project * this_proj, vec4_t q, int status, int axis);
  void rotate (project * this_proj, int status, int axis, int raxis, float param);
  void random_move_this_atom (project * this_proj, int aid);
  void random_rotate_this_object (project * this_proj, atomic_object * object, double ratio, double msd);
  void random_translate_this_object (project * this_proj, atomic_object * object, double ratio, double msd);
  void random_move_this_object (project * this_proj, atomic_object * object, int move, double msd);
  void trigger_refresh (project * this_proj, atom_search * asearch);
  void random_move (project * this_proj, atom_search * asearch);
  void translate_this_atom (project * this_proj, int aid, int axis, vec3_t trans);
  void translate_this_object (project * this_proj, atomic_object * object, int axis, vec3_t trans);
  void rotate_this_object (project * this_proj, atomic_object * object, int axis, int rax, float ang);
  void move_selection (project * this_proj, int action, int axis, vec3_t trans, float ang);
  void update_coordinates (project * this_proj, int status, int axis, int action);
  void update_range_and_entry (project * this_proj, int i, int j, int k);
  void range_has_changed (gpointer data, double v);
  void check_motion_interactors (project * this_proj, atom_search * asearch);
 
  G_MODULE_EXPORT void repeat_move (GtkSpinButton * res, gpointer data);
  G_MODULE_EXPORT void set_move (GtkEntry * res, gpointer data);
  G_MODULE_EXPORT void range_move (GtkRange * range, gpointer data);
  G_MODULE_EXPORT void set_axis_for_motion (GtkComboBox * box, gpointer data);
  G_MODULE_EXPORT void  set_show_motion_axis (GtkCheckButton * but, gpointer data);
  G_MODULE_EXPORT void set_show_motion_axis (GtkToggleButton * but, gpointer data);
 
  GtkWidget * create_axis_entries (atom_search * asearch, project * this_proj, int mot, int axd);
  GtkWidget * add_motion_interaction (atom_search * asearch, int axd, project * this_proj);
 
*/
 
#include "atom_edit.h"
 
gboolean * was_moved_atom;
 
double ** save_coordinates (project * this_proj, int status)
{
  int i, j;
  i = 0;
  if (status > 1)
  {
    i = this_proj -> natomes;
  }
  else
  {
    for (j=0; j<this_proj -> natomes; j++)
    {
      if (this_proj -> atoms[0][j].pick[0] == status) i++;
    }
  }
  if (i == 0) return NULL;
 
  double ** coords = allocddouble (i, 3);
  i = 0;
  if (status > 1)
  {
    for (i=0; i<this_proj -> natomes; i++)
    {
      coords[i][0] = this_proj -> atoms[0][i].x;
      coords[i][1] = this_proj -> atoms[0][i].y;
      coords[i][2] = this_proj -> atoms[0][i].z;
    }
  }
  else
  {
    for (j=0; j<this_proj -> natomes; j++)
    {
      if (this_proj -> atoms[0][j].pick[0] == status)
      {
        coords[i][0] = this_proj -> atoms[0][j].x;
        coords[i][1] = this_proj -> atoms[0][j].y;
        coords[i][2] = this_proj -> atoms[0][j].z;
        i ++;
      }
    }
  }
  return coords;
}
 
void reset_coordinates (project * this_proj, int status)
{
  int i, j;
  i = 0;
  if (this_proj -> modelgl -> saved_coord[status] != NULL)
  {
    for (j=0; j<this_proj -> natomes; j++)
    {
      if (this_proj -> atoms[0][j].pick[0] == status || status > 1)
      {
        this_proj -> atoms[0][j].x = this_proj -> modelgl -> saved_coord[status][i][0];
        this_proj -> atoms[0][j].y = this_proj -> modelgl -> saved_coord[status][i][1];
        this_proj -> atoms[0][j].z = this_proj -> modelgl -> saved_coord[status][i][2];
        i ++;
      }
    }
  }
}
 
vec3_t get_bary (project * this_proj, int status)
{
  vec3_t bar = vec3(0.0,0.0,0.0);
  int j;
  float i = 0.0;
  for (j=0; j<this_proj -> natomes; j++)
  {
    if (this_proj -> atoms[0][j].pick[0] == status || status == 2)
    {
      i += 1.0;
      bar = v3_add (bar, vec3(this_proj -> atoms[0][j].x, this_proj -> atoms[0][j].y, this_proj -> atoms[0][j].z));
    }
  }
  if (i > 0.0) bar = v3_divs (bar, i);
  return bar;
}
 
void init_coordinates (project * this_proj, int status, gboolean win, gboolean init)
{
  if (win)
  {
    int i, j;
    for (i=0; i<2; i++)
    {
      for (j=0; j<6; j++)
      {
        this_proj -> modelgl -> atom_win -> new_param[status][i][j] = this_proj -> modelgl -> edition_param[status][i][j];
        this_proj -> modelgl -> atom_win -> old_param[status][i][j] = this_proj -> modelgl -> edition_param[status][i][j];
      }
    }
    this_proj -> modelgl -> atom_win -> axis[status] = 1;
    this_proj -> modelgl -> atom_win -> show_axis[status] = FALSE;
  }
  this_proj -> modelgl -> baryc[status] = get_bary (this_proj, status);
  if (init)
  {
    this_proj -> modelgl -> saved_coord[status] = save_coordinates (this_proj, status);
  }
}
 
void translate (project * this_proj, int status, int axis, vec3_t trans)
{
  int i, j;
  vec3_t c_old, c_new;
  for (i=0; i<this_proj -> steps; i++)
  {
    for (j=0; j<this_proj -> natomes; j++)
    {
      if (this_proj -> atoms[i][j].pick[0] == status || status < 0)
      {
        c_old = vec3(this_proj -> atoms[i][j].x, this_proj -> atoms[i][j].y, this_proj -> atoms[i][j].z);
        if (axis)
        {
          c_new = m4_mul_pos (this_proj -> modelgl -> view_matrix, c_old);
          c_old = v3_add (c_new, trans);
          c_new = m4_mul_pos (this_proj -> modelgl -> un_view_matrix, c_old);
        }
        else
        {
          c_new = v3_add (c_old, trans);
        }
        this_proj -> atoms[i][j].x = c_new.x;
        this_proj -> atoms[i][j].y = c_new.y;
        this_proj -> atoms[i][j].z = c_new.z;
      }
    }
  }
}
 
void rotate_quat (project * this_proj, vec4_t q, int status, int axis)
{
  int j;
  mat4_t rot = m4_quat_rotation (q);
  vec3_t c_old, c_new;
  for (j=0; j<this_proj -> natomes; j++)
  {
    if (this_proj -> atoms[0][j].pick[0] == status)
    {
      c_old = vec3(this_proj -> atoms[0][j].x, this_proj -> atoms[0][j].y, this_proj -> atoms[0][j].z);
      c_new = v3_sub(c_old, this_proj -> modelgl -> baryc[status]);
      if (axis)
      {
        c_old = m4_mul_pos (this_proj -> modelgl -> view_matrix, c_new);
        c_new = m4_mul_pos (rot, c_old);
        c_old = m4_mul_pos (this_proj -> modelgl -> un_view_matrix, c_new);
      }
      else
      {
        c_old = m4_mul_pos (rot, c_new);
      }
      c_new = v3_add (c_old, this_proj -> modelgl -> baryc[status]);
      this_proj -> atoms[0][j].x = c_new.x;
      this_proj -> atoms[0][j].y = c_new.y;
      this_proj -> atoms[0][j].z = c_new.z;
    }
  }
}
 
void rotate (project * this_proj, int status, int axis, int raxis, float param)
{
  vec4_t qr;
  vec3_t ax[3];
  ax[0] = vec3(1.0,0.0,0.0);
  ax[1] = vec3(0.0,1.0,0.0);
  ax[2] = vec3(0.0,0.0,1.0);
  qr = axis_to_quat(ax[raxis-3], param*pi/90.0);
  rotate_quat (this_proj, qr, status, axis);
}
 
void random_move_this_atom (project * this_proj, int aid)
{
  int i, j, k, l;
  // Using CPU time to randomize
  clock_t begin = clock();
  double prob;
  i = (int)begin;
  for (j=0; j<3; j++)
  {
    k = (j+1)*i*aid*(3*this_proj -> numwid);
    prob= random3_(& k);
    k *= k;
    l = (prob <= 0.5) ? 1 : -1;
    prob = random3_(& k);
    switch (j)
    {
      case 0:
        this_proj -> atoms[0][aid].x += l*prob*sqrt(this_proj -> modelgl -> atom_win -> msd[aid]/3.0);
        break;
      case 1:
        this_proj -> atoms[0][aid].y += l*prob*sqrt(this_proj -> modelgl -> atom_win -> msd[aid]/3.0);
        break;
      case 2:
        this_proj -> atoms[0][aid].z += l*prob*sqrt(this_proj -> modelgl -> atom_win -> msd[aid]/3.0);
        break;
    }
  }
}
 
void random_rotate_this_object (project * this_proj, atomic_object * object, double ratio, double msd)
{
  int i, j, k, l, m, n;
  vec3_t c_new, c_old;
  vec3_t ax[3];
  ax[0] = vec3(1.0,0.0,0.0);
  ax[1] = vec3(0.0,1.0,0.0);
  ax[2] = vec3(0.0,0.0,1.0);
  vec3_t baryc = vec3(object -> baryc[0], object -> baryc[1], object -> baryc[2]);
  vec4_t qr;
  mat4_t rot;
  // Using CPU time to randomize
  clock_t begin = clock();
  double prob;
  i = (int)begin;
  for (j=0; j<3; j++)
  {
    k = (j+1)*i*(3*this_proj -> numwid);
    prob=random3_(& k);
    k *= k;
    l = (prob <= 0.5) ? 1 : -1;
    prob = random3_(& k);
    qr = axis_to_quat(ax[j], l*prob*sqrt(ratio*msd/3.0)*pi/90.0);
    rot = m4_quat_rotation (qr);
    for (m=0; m<object -> atoms; m++)
    {
      n = object -> at_list[m].id;
      if (! was_moved_atom[n])
      {
        c_old = vec3(object -> at_list[m].x, object -> at_list[m].y, object -> at_list[m].z);
        c_new = m4_mul_pos (rot, c_old);
        object -> at_list[m].x = c_new.x;
        object -> at_list[m].y = c_new.y;
        object -> at_list[m].z = c_new.z;
        c_old = v3_add (c_new, baryc);
        this_proj -> atoms[0][n].x = c_old.x;
        this_proj -> atoms[0][n].y = c_old.y;
        this_proj -> atoms[0][n].z = c_old.z;
      }
    }
  }
}
 
void random_translate_this_object (project * this_proj, atomic_object * object, double ratio, double msd)
{
  int i, j, k, l, m, n;
  // Using CPU time to randomize
  clock_t begin = clock();
  double prob;
  i = (int)begin;
  for (j=0; j<3; j++)
  {
    k = (j+1)*i*(3*this_proj -> numwid);
    prob=random3_(& k);
    k *= k;
    l = (prob <= 0.5) ? 1 : -1;
    prob = l*random3_(& k)*sqrt(ratio*msd/3.0);
    switch (j)
    {
      case 0:
        for (m=0; m<object -> atoms; m++)
        {
          n = object -> at_list[m].id;
          if (! was_moved_atom[n]) this_proj -> atoms[0][n].x += prob;
        }
        break;
      case 1:
        for (m=0; m<object -> atoms; m++)
        {
          n = object -> at_list[m].id;
          if (! was_moved_atom[n]) this_proj -> atoms[0][n].y += prob;
        }
        break;
      case 2:
        for (m=0; m<object -> atoms; m++)
        {
          n = object -> at_list[m].id;
          if (! was_moved_atom[n]) this_proj -> atoms[0][n].z += prob;
        }
        break;
    }
    object -> baryc[j] += prob;
  }
}
 
void random_move_this_object (project * this_proj, atomic_object * object, int move, double msd)
{
  int i, j;
  // Using CPU time to randomize
  clock_t begin = clock();
  double prob;
  i = (int)begin;
  switch (move)
  {
    case 1:
      random_translate_this_object (this_proj, object, 1.0, msd);
      break;
    case 2:
      random_rotate_this_object (this_proj, object, 1.0, msd);
      break;
    case 3:
      j = object -> species*i*object -> atoms*(3*this_proj -> numwid);
      prob = random3_(& j);
      random_translate_this_object (this_proj, object, prob, msd);
      random_rotate_this_object (this_proj, object, 1.0-prob, msd);
      break;
  }
}
 
void trigger_refresh (project * this_proj, atom_search * asearch)
{
  clean_all_trees (asearch, this_proj);
  this_proj -> modelgl -> atom_win -> rebuilt[(asearch -> action == DISPL) ? 0 : 1] = TRUE;
  update_search_tree (this_proj -> modelgl -> search_widg[(asearch -> action == DISPL) ? 6 : 2]);
  check_all_trees (this_proj);
}
 
gboolean rebuild_selection (project * this_proj, atom_search * asearch, int filter)
{
  int i, j, k, l;
  gboolean was_frag = this_proj -> modelgl -> adv_bonding[0];
  gboolean was_mol = this_proj -> modelgl -> adv_bonding[1];
  gboolean recons = FALSE;
  int old_frag = this_proj -> coord -> totcoord[2];
  i = (asearch -> action == DISPL) ? 0 : 1;
  if (asearch -> object && this_proj -> modelgl -> rebuild[0][i])
  {
    int * saved_todo = duplicate_int (asearch -> todo_size, asearch -> todo);
    int old_tds = asearch -> todo_size;
    g_free (asearch -> todo);
    allocate_todo (asearch, this_proj -> natomes);
    j = 0;
    int * oifcl = NULL;
    atomic_object * object = this_proj -> modelgl -> atom_win -> to_be_moved[i];
    while (object)
    {
      j += object -> ifcl;
      object = object -> next;
    }
    if (j)
    {
      object = this_proj -> modelgl -> atom_win -> to_be_moved[i];
      oifcl = allocint (j);
      l = 0;
      while (object)
      {
        for (k=0; k<object -> ifcl; k++)
        {
          oifcl[l] = object -> bcid[k];
          l ++;
        }
        object = object -> next;
      }
    }
    if (j)
    {
      reconstruct_bonds (this_proj, j, oifcl);
      g_free (oifcl);
      oifcl = NULL;
    }
    object = this_proj -> modelgl -> atom_win -> to_be_moved[i];
    while (object)
    {
      if (object -> ifcl) reconstruct_coordinates_for_object (this_proj, object, TRUE);
      if (filter < 3)
      {
        recons = TRUE;
        for (j=0; j<object -> atoms; j++)
        {
          k = object -> at_list[j].id;
          asearch -> todo[k] = 1;
        }
      }
      object = object -> next;
    }
    if (recons)
    {
      apply_action (this_proj, asearch);
      trigger_refresh (this_proj, asearch);
    }
    g_free (asearch -> todo);
    asearch -> todo = duplicate_int (old_tds, saved_todo);
    asearch -> todo_size = old_tds;
    g_free (saved_todo);
  }
  if ((was_frag && ! this_proj -> modelgl -> adv_bonding[0]) || (was_mol && ! this_proj -> modelgl -> adv_bonding[1]))
  {
    return TRUE;
  }
  else if (old_frag != this_proj -> coord -> totcoord[2])
  {
    return TRUE;
  }
  else
  {
    return FALSE;
  }
}
 
gboolean random_move_objects (project * this_proj, atom_search * asearch, int numo, int filter, int obj)
{
  atomic_object * object = this_proj -> modelgl -> atom_win -> to_be_moved[1];
  float v;
  int i, j, k;
  gboolean recons = FALSE;
  if (! this_proj -> modelgl -> atom_win -> rebuilt[1])
  {
    recons = rebuild_selection (this_proj, asearch, filter);
  }
  was_moved_atom = allocbool (this_proj -> natomes);
  for (i=0; i<numo; i++)
  {
    if (asearch -> todo[i] && object)
    {
      v  =  (obj && filter > 2) ? this_proj -> modelgl -> atom_win -> msd_all[i] : this_proj -> modelgl -> atom_win -> msd[i];
      if (v > 0.0)
      {
        for (j=0; j<this_proj -> modelgl -> atom_win -> repeat_move; j++)
        {
          random_move_this_object (this_proj, object, asearch -> todo[i], v);
        }
        for (j=0; j<object -> atoms; j++)
        {
          k = object -> at_list[j].id;
          was_moved_atom[k] = TRUE;
        }
      }
      object = object -> next;
    }
  }
  g_free (was_moved_atom);
  return recons;
}
 
void random_move (project * this_proj, atom_search * asearch)
{
  int obj = get_asearch_object (asearch);
  int filter = get_asearch_filter (asearch);
  int i, j;
  gboolean recons = FALSE;
  if (this_proj -> modelgl -> atom_win -> to_be_moved[1])
  {
    recons = random_move_objects (this_proj, asearch, asearch -> todo_size, filter, obj);
  }
  else
  {
    if (this_proj -> modelgl -> rebuild[0][1] && ! this_proj -> modelgl -> atom_win -> rebuilt[1])
    {
      apply_action (this_proj, asearch);
      recons = TRUE;
    }
    for (i=0; i<asearch -> todo_size; i++)
    {
      if (asearch -> todo[i] && this_proj -> modelgl -> atom_win -> msd[i] > 0.0)
      {
        for (j=0; j<this_proj -> modelgl -> atom_win -> repeat_move; j++) random_move_this_atom (this_proj, i);
      }
    }
  }
  if (asearch -> recompute_bonding)
  {
    i = activep;
    active_project_changed (activep);
    bonds_update = 1;
    frag_update = (active_project -> natomes > ATOM_LIMIT) ? 0 : 1;
    mol_update = (frag_update) ? ((active_project -> steps > STEP_LIMIT) ? 0 : 1) : 0;
    active_project -> runc[0] = FALSE;
    on_calc_bonds_released (NULL, NULL);
    active_project_changed (i);
    recons = TRUE;
  }
  this_proj -> modelgl -> was_moved = TRUE;
  init_default_shaders (this_proj -> modelgl);
#ifdef GTK3
  // GTK3 Menu Action To Check
  set_advanced_bonding_menus (this_proj -> modelgl);
#endif
  if (recons) trigger_refresh (this_proj, asearch);
}
 
void translate_this_atom (project * this_proj, int aid, int axis, vec3_t trans)
{
  vec3_t c_old, c_new;
  c_old = vec3(this_proj -> atoms[0][aid].x, this_proj -> atoms[0][aid].y, this_proj -> atoms[0][aid].z);
  if (axis)
  {
    c_new = m4_mul_pos (this_proj -> modelgl -> view_matrix, c_old);
    c_old = v3_add (c_new, trans);
    c_new = m4_mul_pos (this_proj -> modelgl -> un_view_matrix, c_old);
  }
  else
  {
    c_new = v3_add (c_old, trans);
  }
  this_proj -> atoms[0][aid].x = c_new.x;
  this_proj -> atoms[0][aid].y = c_new.y;
  this_proj -> atoms[0][aid].z = c_new.z;
}
 
void translate_this_object (project * this_proj, atomic_object * object, int axis, vec3_t trans)
{
  int i, j;
  vec3_t c_old, c_new;
  c_old = vec3(object -> baryc[0], object -> baryc[1], object -> baryc[2]);
  if (axis)
  {
    c_new = m4_mul_pos (this_proj -> modelgl -> view_matrix, c_old);
    c_old = v3_add (c_new, trans);
    c_new = m4_mul_pos (this_proj -> modelgl -> un_view_matrix, c_old);
  }
  else
  {
    c_new = v3_add (c_old, trans);
  }
  object -> baryc[0] = c_new.x;
  object -> baryc[1] = c_new.y;
  object -> baryc[2] = c_new.z;
  for (i=0; i<object -> atoms; i++)
  {
    j = object -> at_list[i].id;
    if (! was_moved_atom[j])
    {
      was_moved_atom[j] = TRUE;
      this_proj -> atoms[0][j].x = object -> baryc[0] + object -> at_list[i].x;
      this_proj -> atoms[0][j].y = object -> baryc[1] + object -> at_list[i].y;
      this_proj -> atoms[0][j].z = object -> baryc[2] + object -> at_list[i].z;
    }
  }
}
 
void rotate_this_object (project * this_proj, atomic_object * object, int axis, int rax, float ang)
{
  int i, j;
  vec3_t c_new, c_old;
  vec3_t baryc = vec3(object -> baryc[0], object -> baryc[1], object -> baryc[2]);
  vec3_t ax[3];
  ax[0] = vec3(1.0,0.0,0.0);
  ax[1] = vec3(0.0,1.0,0.0);
  ax[2] = vec3(0.0,0.0,1.0);
  vec4_t qr;
  mat4_t rot;
  qr = axis_to_quat(ax[rax], ang*pi/180.0);
  rot = m4_quat_rotation (qr);
  for (i=0; i<object -> atoms; i++)
  {
    j = object -> at_list[i].id;
    if (! was_moved_atom[j])
    {
      c_old = vec3(object -> at_list[i].x, object -> at_list[i].y, object -> at_list[i].z);
      if (axis)
      {
        c_new = m4_mul_pos (this_proj -> modelgl -> view_matrix, c_old);
        c_old = m4_mul_pos (rot, c_new);
        c_new = m4_mul_pos (this_proj -> modelgl -> un_view_matrix, c_old);
      }
      else
      {
        c_new = m4_mul_pos (rot, c_old);
      }
      object -> at_list[i].x = c_new.x;
      object -> at_list[i].y = c_new.y;
      object -> at_list[i].z = c_new.z;
      c_old = v3_add (c_new, baryc);
      this_proj -> atoms[0][j].x = c_old.x;
      this_proj -> atoms[0][j].y = c_old.y;
      this_proj -> atoms[0][j].z = c_old.z;
      was_moved_atom[j] = TRUE;
    }
  }
}
 
gboolean move_objects (project * this_proj, atom_search * asearch, int action, int axis, vec3_t trans, float ang)
{
  gboolean recons = FALSE;
  if (this_proj -> modelgl -> rebuild[0][0] && ! this_proj -> modelgl -> atom_win -> rebuilt[0])
  {
    recons = rebuild_selection (this_proj, asearch, get_asearch_filter(asearch));
  }
  atomic_object * object = this_proj -> modelgl -> atom_win -> to_be_moved[0];
  was_moved_atom = allocbool (this_proj -> natomes);
  int i, j;
  while (object)
  {
    if (action < 3)
    {
      translate_this_object (this_proj, object, axis, trans);
    }
    else
    {
      rotate_this_object (this_proj, object, axis, action-3, ang);
    }
    for (i=0; i<object -> atoms; i++)
    {
      j = object -> at_list[i].id;
      was_moved_atom[j] = TRUE;
    }
    object = object -> next;
  }
  g_free (was_moved_atom);
  return recons;
}
 
extern atom_search * duplicate_atom_search (atom_search * asearch);
 
void move_selection (project * this_proj, int action, int axis, vec3_t trans, float ang)
{
  atom_search * asearch = duplicate_atom_search (this_proj -> modelgl -> search_widg[2]);
  gboolean recons = FALSE;
  gboolean move_it = do_we_have_objects_in_selection (this_proj, asearch, TRUE);
  if (move_it)
  {
    int i;
    if (this_proj -> modelgl -> atom_win -> to_be_moved[0])
    {
      recons = move_objects (this_proj, asearch, action, axis, trans, ang);
    }
    else
    {
      if (this_proj -> modelgl -> rebuild[0][0] && ! this_proj -> modelgl -> atom_win -> rebuilt[0])
      {
        apply_action (this_proj, asearch);
        recons = TRUE;
      }
      for (i=0; i<asearch -> todo_size; i++)
      {
        if (asearch -> todo[i])
        {
          translate_this_atom (this_proj, i, axis, trans);
        }
      }
    }
    if (asearch -> recompute_bonding)
    {
      i = activep;
      active_project_changed (activep);
      bonds_update = 1;
      frag_update = (active_project -> natomes > ATOM_LIMIT) ? 0 : 1;
      mol_update = (frag_update) ? ((active_project -> steps > STEP_LIMIT) ? 0 : 1) : 0;
      active_project -> runc[0] = FALSE;
      on_calc_bonds_released (NULL, NULL);
      active_project_changed (i);
      recons = TRUE;
    }
    init_default_shaders (this_proj -> modelgl);
#ifdef GTK3
    // GTK3 Menu Action To Check
    set_advanced_bonding_menus (this_proj -> modelgl);
#endif
    if (recons) trigger_refresh (this_proj, asearch);
  }
}
 
void update_coordinates (project * this_proj, int status, int axis, int action)
{
  vec3_t trans = vec3(this_proj -> modelgl -> atom_win -> new_param[status][axis][0]-this_proj -> modelgl -> atom_win -> old_param[status][axis][0],
                      this_proj -> modelgl -> atom_win -> new_param[status][axis][1]-this_proj -> modelgl -> atom_win -> old_param[status][axis][1],
                      this_proj -> modelgl -> atom_win -> new_param[status][axis][2]-this_proj -> modelgl -> atom_win -> old_param[status][axis][2]);
  float r = this_proj -> modelgl -> atom_win -> new_param[status][axis][action] - this_proj -> modelgl -> atom_win -> old_param[status][axis][action];
  if (v3_length(trans) != 0.0 || r != 0.0)
  {
    move_selection (this_proj, action, axis, trans, r);
    this_proj -> modelgl -> was_moved = TRUE;
    this_proj -> modelgl -> atom_win -> old_param[status][axis][action] = this_proj -> modelgl -> atom_win -> new_param[status][axis][action];
    init_default_shaders (this_proj -> modelgl);
    update (this_proj -> modelgl);
  }
}
 
G_MODULE_EXPORT void repeat_move (GtkSpinButton * res, gpointer data)
{
  project * this_proj = (project *)data;
  this_proj -> modelgl -> atom_win -> repeat_move = gtk_spin_button_get_value_as_int(res);
}
 
void update_range_and_entry (project * this_proj, int i, int j, int k)
{
  update_entry_double (GTK_ENTRY(this_proj -> modelgl -> atom_win -> edit_entry[k]),
                                   this_proj -> modelgl -> atom_win -> new_param[i][j][k]);
  gtk_range_set_value (GTK_RANGE(this_proj -> modelgl -> atom_win -> edit_scale[k]),
                                   this_proj -> modelgl -> atom_win -> new_param[i][j][k]);
}
 
float get_limit (int mot, glwin * view)
{
  if (! mot)
  {
    int plimit = (int)(view -> anim -> last -> img -> p_depth/limit[mot]);
    return limit[mot] + 2.0*plimit*limit[mot];
  }
  else
  {
    return limit[mot];
  }
}
 
void range_has_changed (gpointer data, double v)
{
  tint * id = (tint *)data;
  project * this_proj = get_project_by_id(id -> a);
  int h, i, j, k;
  h = id -> b - TOLAB;
  i = (h < 3) ? 0 : 1;
  j = this_proj -> modelgl -> atom_win -> axis[i];
  k = this_proj -> modelgl -> search_widg[id -> c] -> status;
  if (v != this_proj -> modelgl -> atom_win -> new_param[k][j][h])
  {
    float plim = get_limit (i, this_proj -> modelgl);
    if (v >= -plim && v <= plim)
    {
      this_proj -> modelgl -> atom_win -> new_param[k][j][h] = v;
      this_proj -> modelgl -> atom_win -> active = i;
      update_coordinates (this_proj, k, j, h);
    }
    update_range_and_entry (this_proj, k, j, h);
  }
}
 
G_MODULE_EXPORT void set_move (GtkEntry * res, gpointer data)
{
  const gchar * m = entry_get_text (res);
  double v = string_to_double ((gpointer)m);
  range_has_changed (data, v);
}
 
G_MODULE_EXPORT void range_move (GtkRange * range, gpointer data)
{
  range_has_changed (data, gtk_range_get_value (range));
}
 
G_MODULE_EXPORT gboolean scroll_range_move (GtkRange * range, GtkScrollType scroll, gdouble value, gpointer data)
{
  range_has_changed (data, value);
  return FALSE;
}
 
G_MODULE_EXPORT void set_axis_for_motion (GtkComboBox * box, gpointer data)
{
  tint * id = (tint *)data;
  project * this_proj = get_project_by_id (id -> a);
  int i, j;
  j = id -> b - TOLAB;
  this_proj -> modelgl -> atom_win -> axis[j] = gtk_combo_box_get_active (box);
  for (i=3*j; i<(j + 1)*3; i++)
  {
    update_range_and_entry (this_proj, this_proj -> modelgl -> search_widg[id -> c] -> status, this_proj -> modelgl -> atom_win -> axis[j], i);
  }
  this_proj -> modelgl -> atom_win -> active = j;
  update (this_proj -> modelgl);
}
 
#ifdef GTK4
G_MODULE_EXPORT void  set_show_motion_axis (GtkCheckButton * but, gpointer data)
#else
G_MODULE_EXPORT void set_show_motion_axis (GtkToggleButton * but, gpointer data)
#endif
{
  tint * id = (tint *)data;
  project * this_proj = get_project_by_id (id -> a);
  int i, j;
  j = id -> b - TOLAB;
#ifdef GTK4
  i = gtk_check_button_get_active (but);
  gtk_check_button_set_active (GTK_CHECK_BUTTON(this_proj -> modelgl -> atom_win -> axis_but[! j]), i);
#else
  i = gtk_toggle_button_get_active (but);
  gtk_toggle_button_set_active (GTK_TOGGLE_BUTTON(this_proj -> modelgl -> atom_win -> axis_but[! j]), i);
#endif
  this_proj -> modelgl -> atom_win -> active = j;
  this_proj -> modelgl -> atom_win -> show_axis[j] = i;
  if (i)
  {
    this_proj -> modelgl -> anim -> last -> img -> box_axis[AXIS] = CYLINDERS;
  }
  else
  {
    this_proj -> modelgl -> anim -> last -> img -> box_axis[AXIS] = this_proj -> modelgl -> atom_win -> old_axis;
  }
  this_proj -> modelgl -> create_shaders[MAXIS] = TRUE;
  update (this_proj -> modelgl);
}
 
void check_motion_interactors (project * this_proj, atom_search * asearch)
{
  gboolean activate = do_we_have_objects_in_selection (this_proj, asearch, FALSE);
  int i;
  if (this_proj -> modelgl -> atom_win)
  {
    for (i=0; i<6; i++)
    {
      if (this_proj -> modelgl -> atom_win -> edit_entry[i])
      {
        widget_set_sensitive (this_proj -> modelgl -> atom_win -> edit_entry[i], (((asearch -> object  && ! asearch -> passivating ) || (asearch -> object > 1 && asearch -> passivating)) || i < 3) ? activate : 0);
      }
      if (this_proj -> modelgl -> atom_win -> edit_scale[i])
      {
        widget_set_sensitive (this_proj -> modelgl -> atom_win -> edit_scale[i], (((asearch -> object  && ! asearch -> passivating ) || (asearch -> object > 1 && asearch -> passivating)) || i < 3) ? activate : 0);
      }
    }
  }
}
 
GtkWidget * create_axis_entries (atom_search * asearch, project * this_proj, int mot, int axd)
{
  gchar * str;
  GtkWidget * lab;
  GtkWidget * hbox;
  gchar * axis[3]={"x", "y", "z"};
  gchar * unit[2]={"<b>&#xC5;</b>", "<b>&#xB0;</b>"};
  GtkWidget * vbox = create_vbox (5);
  int j = mot*3 + axd;
  float plim = get_limit (mot, this_proj -> modelgl);
  this_proj -> modelgl -> atom_win -> edit_entry[j] = create_entry (G_CALLBACK(set_move), 100, 15, FALSE, & asearch -> pointer[j]);
  this_proj -> modelgl -> atom_win -> edit_scale[j] = create_hscale (-plim, plim, 0.001,
                                                                     this_proj -> modelgl -> atom_win -> new_param[asearch -> status][1][j], GTK_POS_TOP, 4, 250,
                                                                     G_CALLBACK(range_move), G_CALLBACK(scroll_range_move), & asearch -> pointer[j]);
  widget_set_sensitive (this_proj -> modelgl -> atom_win -> edit_entry[j], 0);
  widget_set_sensitive (this_proj -> modelgl -> atom_win -> edit_scale[j], 0);
  str = g_strdup_printf ("On <b>%s</b> axis:", axis[axd]);
  lab = markup_label(unit[mot], 20, -1, 0.0, 0.5);
  update_entry_double (GTK_ENTRY(this_proj -> modelgl -> atom_win -> edit_entry[j]), this_proj -> modelgl -> atom_win -> new_param[asearch -> status][1][j]);
  hbox = create_hbox (0);
  add_box_child_start (GTK_ORIENTATION_HORIZONTAL, hbox, markup_label(str, 70, -1, 0.0, 0.5), FALSE, FALSE, 50);
  g_free (str);
  add_box_child_start (GTK_ORIENTATION_HORIZONTAL, hbox, this_proj -> modelgl -> atom_win -> edit_scale[j], FALSE, FALSE, 0);
  GtkWidget * fixed = gtk_fixed_new ();
  gtk_fixed_put (GTK_FIXED(fixed), this_proj -> modelgl -> atom_win -> edit_entry[j], 0, 15);
  gtk_fixed_put (GTK_FIXED(fixed), lab, 120, 25);
  add_box_child_start (GTK_ORIENTATION_HORIZONTAL, hbox, fixed, FALSE, FALSE, 50);
  add_box_child_start (GTK_ORIENTATION_VERTICAL, vbox, hbox, FALSE, FALSE, 0);
  return vbox;
}
 
GtkWidget * add_motion_interaction (atom_search * asearch, int axd, project * this_proj)
{
  GtkWidget * vbox = create_vbox (BSEP);
  GtkWidget * hbox = create_hbox (5);
  add_box_child_start (GTK_ORIENTATION_VERTICAL, vbox, hbox, FALSE, FALSE, 10);
  add_box_child_start (GTK_ORIENTATION_HORIZONTAL, hbox, markup_label("<u>Select the axis to be used:</u> ", 200, -1, 0.0, 0.5), FALSE, FALSE, 20);
  this_proj -> modelgl -> atom_win -> axis_combo[axd] = create_combo ();
  combo_text_append (this_proj -> modelgl -> atom_win -> axis_combo[axd], "Model axis");
  combo_text_append (this_proj -> modelgl -> atom_win -> axis_combo[axd], "Eye (viewer) axis");
  gtk_combo_box_set_active (GTK_COMBO_BOX(this_proj -> modelgl -> atom_win -> axis_combo[axd]),
                                          this_proj -> modelgl -> atom_win -> axis[axd]);
  g_signal_connect (G_OBJECT (this_proj -> modelgl -> atom_win -> axis_combo[axd]), "changed", G_CALLBACK(set_axis_for_motion), & asearch -> pointer[axd]);
  add_box_child_start (GTK_ORIENTATION_HORIZONTAL, hbox, this_proj -> modelgl -> atom_win -> axis_combo[axd], FALSE, FALSE, 20);
  this_proj -> modelgl -> atom_win -> axis_but[axd] = check_button ("Show", 100, 35, FALSE, G_CALLBACK(set_show_motion_axis), & asearch -> pointer[axd]);
  add_box_child_start (GTK_ORIENTATION_HORIZONTAL, hbox, this_proj -> modelgl -> atom_win -> axis_but[axd], FALSE, FALSE, 20);
  int i;
  for (i=0; i<3; i++)
  {
    add_box_child_start (GTK_ORIENTATION_VERTICAL, vbox, create_axis_entries (asearch, this_proj, axd, i), FALSE, FALSE, 0);
  }
  hbox = create_hbox (5);
  add_box_child_start (GTK_ORIENTATION_VERTICAL, vbox, hbox, FALSE, FALSE, 20);
  //add_box_child_start (GTK_ORIENTATION_HORIZONTAL, hbox,
  //                    check_button ("Reset transformation(s)", -1, 35, FALSE, G_CALLBACK(set_reset_transformation), & asearch -> pointer[0]),
  //                    FALSE, FALSE, 10);
  return vbox;
}