global.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: 'global.c'
*
* Contains:
*
 
 - global variables declarations
 - global convenience functions implementation
 
*
* List of functions:
 
  int * allocint (int  val);
  int ** allocdint (int xal, int yal);
  int *** alloctint (int xal, int yal, int zal);
  int **** allocqint (int wal, int xal, int yal, int zal);
  int * duplicate_int (int num, int * old_val);
 
  float * allocfloat (int  val);
  float ** allocdfloat (int xal, int yal);
  float *** alloctfloat (int xal, int yal, int zal);
  float * duplicate_float (int num, float * old_val);
 
  double * allocdouble (int val);
  double ** allocddouble (int xal, int yal);
  double *** alloctdouble (int xal, int yal, int zal);
  double **** allocqdouble (int wal, int xal, int yal, int zal);
  double * duplicate_double (int num, double * old_val);
  double string_to_double (gpointer string);
  double get_calc_time (struct timespec start, struct timespec stop);
 
  gboolean * allocbool (int  val);
  gboolean ** allocdbool (int xal, int yal);
  gboolean *** alloctbool (int xal, int yal, int zal);
  gboolean * duplicate_bool (int num, gboolean * old_val);
 
  gchar ** duplicate_strings (int num, gchar ** old_val);
  gchar * calculation_time (gboolean modelv, double ctime);
 
*/
 
#include <stdio.h>
#include <stdlib.h>
#include <sys/types.h>
#include <sys/stat.h>
 
#include <gtk/gtk.h>
#include <gdk/gdk.h>
 
#define BILLION  1000000000L;
 
#ifdef G_OS_WIN32
gchar * PACKAGE_PREFIX = NULL;
gchar * PACKAGE_LIBEXEC = NULL;
#endif
gchar * PACKAGE_LIB_DIR = NULL;
gchar * PACKAGE_IMP = NULL;
gchar * PACKAGE_CON = NULL;
gchar * PACKAGE_IMG = NULL;
gchar * PACKAGE_PDF = NULL;
gchar * PACKAGE_SVG = NULL;
gchar * PACKAGE_EPS = NULL;
gchar * PACKAGE_PNG = NULL;
gchar * PACKAGE_JPG = NULL;
gchar * PACKAGE_BMP = NULL;
gchar * PACKAGE_TIFF = NULL;
gchar * PACKAGE_VOID = NULL;
gchar * PACKAGE_GR = NULL;
gchar * PACKAGE_SQ = NULL;
gchar * PACKAGE_BD = NULL;
gchar * PACKAGE_AN = NULL;
gchar * PACKAGE_RI = NULL;
gchar * PACKAGE_CH = NULL;
gchar * PACKAGE_SP = NULL;
gchar * PACKAGE_MS = NULL;
gchar * PACKAGE_TD = NULL;
gchar * PACKAGE_MOL = NULL;
gchar * PACKAGE_OGL = NULL;
gchar * PACKAGE_OGLM = NULL;
gchar * PACKAGE_OGLC = NULL;
gchar * PACKAGE_PRO = NULL;
gchar * PACKAGE_SET = NULL;
gchar * PACKAGE_LOGO = NULL;
gchar * PACKAGE_LAGPL = NULL;
gchar * PACKAGE_LABOUT = NULL;
gchar * PACKAGE_DOTA = NULL;
gchar * PACKAGE_DOTB = NULL;
gchar * PACKAGE_DOTC = NULL;
gchar * PACKAGE_DOTD = NULL;
gchar * PACKAGE_DOTE = NULL;
gchar * PACKAGE_DOTF = NULL;
gchar * PACKAGE_DOTG = NULL;
gchar * PACKAGE_DOTH = NULL;
gchar * PACKAGE_DFBD = NULL;
gchar * PACKAGE_DFAN = NULL;
gchar * PACKAGE_DFDI = NULL;
gchar * PACKAGE_DFTD = NULL;
gchar * PACKAGE_DFIN = NULL;
gchar * PACKAGE_SGCP = NULL;
gchar * PACKAGE_SGCI = NULL;
gchar * PACKAGE_SGCF = NULL;
gchar * PACKAGE_SGHP = NULL;
gchar * PACKAGE_SGTR = NULL;
gchar * PACKAGE_SGTI = NULL;
gchar * PACKAGE_SGTP = NULL;
gchar * PACKAGE_SGOP = NULL;
gchar * PACKAGE_SGOI = NULL;
gchar * PACKAGE_SGOC = NULL;
gchar * PACKAGE_SGOF = NULL;
gchar * PACKAGE_SGMP = NULL;
gchar * PACKAGE_SGMI = NULL;
gchar * PACKAGE_SGTC = NULL;
gchar * ATOMES_CONFIG = NULL;
gchar * ATOMES_URL = "https://atomes.ipcms.fr";
gchar * mode_name[2]={"Analysis", "Edition"};
gchar * bravais_img[14];
gchar * ifield[8];
gchar * projfile = NULL;
char * ifbug="\nIf this is a bug please report it to:";
 
char * rings_type[5] = {"All (No rules)",
                        "King's",
                        "Guttman's",
                        "Primitive",
                        "Strong"};
 
char * untime[6] = {"fs",
                    "ps",
                    "ns",
                    "µs",
                    "ms",
                    " "};
 
gchar * workspacefile = NULL;
 
int nprojects = 0;
int activep = 0;
int activev = 0;
int activef = 0;
int inactep = 0;
int activew = 0;
int statusval;
int atomes_visual = 1; // OpenGL visual: 1 = GTK default, 0 = X11 default (GTK3 + GtkGLArea only), Else = no OpenGL
// Loop Id for the dialogs
int dialog_id = -1;
 
int bonds_update = 0;
int frag_update = 0;
int mol_update = 0;
 
int tmp_pixels[2];
int * pasted_todo = NULL;
 
double * xsk = NULL;
 
GMainLoop * Event_loop[5];
 
gboolean in_movie_encoding = FALSE;
gboolean newspace = TRUE;
gboolean reading_input;
gboolean tmp_adv_bonding[2];
gboolean column_label = FALSE;
gboolean check_label = TRUE;
gboolean object_motion = FALSE;
gboolean selected_status = FALSE;
gboolean silent_input = FALSE;
gboolean cif_use_symmetry_positions = FALSE;
 
struct timespec start_time;
struct timespec stop_time;
 
double opac = 0.75;
double pi = 3.141592653589793238462643383279502884197;
 
GSimpleAction * edition_actions[3];
GSimpleAction * analyze_actions[9];
 
GtkApplication * AtomesApp = NULL;
GtkWidget * MainWindow = NULL;
GtkWidget * MainView = NULL;
GtkWidget * MainFrame[2];
GtkWidget * pop = NULL;
GtkWidget * curvetoolbox = NULL;
GtkWidget * progressbar = NULL;
GtkWidget * MainScrol[2];
GtkWidget * atomes_logo = NULL;
GtkWidget * atomes_shortcuts = NULL;
GtkWidget * calc_dialog = NULL;
GtkWidget * register_button = NULL;
 
GtkTextTag * tag = NULL;
GtkStatusbar * statusbar;
 
GdkPixbuf * THETD = NULL;
GdkPixbuf * THEMO = NULL;
GdkPixbuf * THEBD = NULL;
GdkPixbuf * SETTING = NULL;
GdkPixbuf * SETTINGS = NULL;
GdkPixbuf * OGL = NULL;
GdkPixbuf * OGLM = NULL;
GdkPixbuf * OGLC = NULL;
GdkPixbuf * RUN = NULL;
 
// Basic utility functions
 
gboolean * allocbool (int  val)
{
  gboolean * var = NULL;
 
  var = g_malloc0 (val*sizeof*var);
  return var;
}
 
gboolean ** allocdbool (int xal, int yal)
{
  gboolean ** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocbool(yal);
  }
  return var;
}
 
gboolean *** alloctbool (int xal, int yal, int zal)
{
  gboolean *** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocdbool(yal, zal);
  }
  return var;
}
 
int * allocint (int  val)
{
  int * var = NULL;
 
  var = g_malloc0 (val*sizeof*var);
  return var;
}
 
int ** allocdint (int xal, int yal)
{
  int ** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocint(yal);
  }
  return var;
}
 
int *** alloctint (int xal, int yal, int zal)
{
  int *** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocdint(yal, zal);
  }
  return var;
}
 
int **** allocqint (int wal, int xal, int yal, int zal)
{
  int **** var = NULL;
  int i;
 
  var = g_malloc (wal*sizeof*var);
  for ( i = 0 ; i < wal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = alloctint(xal, yal, zal);
  }
  return var;
}
 
float * allocfloat (int  val)
{
  float * var = NULL;
 
  var = g_malloc0 (val*sizeof*var);
  return var;
}
 
float ** allocdfloat (int xal, int yal)
{
  float ** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocfloat(yal);
  }
  return var;
}
 
float *** alloctfloat (int xal, int yal, int zal)
{
  float *** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocdfloat (yal, zal);
  }
  return var;
}
 
 
double * allocdouble (int val)
{
  double * var = NULL;
 
  var = g_malloc0 (val*sizeof*var);
  return var;
}
 
double ** allocddouble (int xal, int yal)
{
  double ** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocdouble (yal);
  }
  return var;
}
 
double *** alloctdouble (int xal, int yal, int zal)
{
  double *** var = NULL;
  int i;
 
  var = g_malloc (xal*sizeof*var);
  for ( i = 0 ; i < xal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = allocddouble (yal, zal);
  }
  return var;
}
 
double **** allocqdouble (int wal, int xal, int yal, int zal)
{
  double **** var = NULL;
  int i;
 
  var = g_malloc (wal*sizeof*var);
  for ( i = 0 ; i < wal ; i ++ )
  {
    /* allocation d'un tableau de tableau */
    var[i] = alloctdouble (xal, yal, zal);
  }
  return var;
}
 
gchar ** duplicate_strings (int num, gchar ** old_val)
{
  gchar ** new_val = g_malloc0 (num*sizeof*new_val);
  int i;
  for (i=0; i<num; i++) new_val[i] = g_strdup_printf ("%s", old_val[i]);
  return new_val;
}
 
int * duplicate_int (int num, int * old_val)
{
  int * new_val = allocint (num);
  int i;
  for (i=0; i<num; i++) new_val[i] = old_val[i];
  return new_val;
}
 
gboolean * duplicate_bool (int num, gboolean * old_val)
{
  gboolean * new_val = allocbool (num);
  int i;
  for (i=0; i<num; i++) new_val[i] = old_val[i];
  return new_val;
}
 
float * duplicate_float (int num, float * old_val)
{
  float * new_val = allocfloat (num);
  int i;
  for (i=0; i<num; i++) new_val[i] = old_val[i];
  return new_val;
}
 
double * duplicate_double (int num, double * old_val)
{
  double * new_val = allocdouble (num);
  int i;
  for (i=0; i<num; i++) new_val[i] = old_val[i];
  return new_val;
}
 
 
double string_to_double (gpointer string)
{
  char * endPtr = NULL;
  double value = strtod ((char *)string, & endPtr);
  if (endPtr == (char *)string)
  {
     g_print ("Error in string format: %s - value == %lf\n", endPtr, value);
  }
  return value;
}
 
double get_calc_time (struct timespec start, struct timespec stop)
{
  return (double)(stop.tv_sec - start.tv_sec) + (double)(stop.tv_nsec - start.tv_nsec)/BILLION;
}
 
gchar * calculation_time (gboolean modelv, double ctime)
{
  int i, j, k;
  gchar * t_string = (modelv) ? "\n \tAnalysis was performed in: ": "";
  if (ctime < 60.0)
  {
    return g_strdup_printf ("%s%f s", t_string, ctime);
  }
  else if (ctime < 3600.0)
  {
    i = ctime/60.0;
    return g_strdup_printf ("%s%d m %f s", t_string, i, ctime-i*60.0);
  }
  else if (ctime < 86400.0)
  {
    // Really ?!
    i = ctime/3600.0;
    j = (ctime - i*3600.0)/60.0;
    return g_strdup_printf ("%s%d h %d m %f s", t_string, i, j, ctime-i*3600.0-j*60.0);
  }
  else
  {
    // Seriously ?!
    i = ctime/86400.0;
    j = (ctime - i*86400.0)/3600.0;
    k = (ctime - i*86400.0 - j*3600.0)/60.0;
    return g_strdup_printf ("%s%d d %d h %d m %f s", t_string, i, j, k, ctime-i*86400.0-j*3600.0-k*60.0);
  }
}